A0A087XSI2_POEFO Loading...

N-alpha-acetyltransferase 25, NatB auxiliary subunit

Non-catalytic subunit of the NatB complex which catalyzes acetylation of the N-terminal methionine residues of peptides beginning with Met-Asp, Met-Glu, Met-Asn and Met-Gln. May play a role in normal cell-cycle progression.

AlphaFold DB , UniProt , Accession A0A087XSI2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 943 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.7Low82.1Confident178 Ų17887.1 Ų87.188%0.87744%0.437SS*.  0-53.30-167178.2174.300112.9I3 Q4 Q5M1-I3 PolarHBondContact O-N 3.42Å; M1-Q4 PolarHBondContact O-N 2.8Å; M1-Q5 PolarHBondContact O-N 3.43Å; M1-Q5 VanDerWaalsContact O-N 3.14Å
2A74.8Confident82.2Confident70 Ų7093.9 Ų93.958%0.57946%0.462SS*.Hα-helixtrans-58.2-47.3-178.900000114.1Q4 Q5 A6A2-Q4 VanDerWaalsContact C-N 3.31Å; A2-Q4 PolarHBondContact O-N 3.03Å; A2-Q5 PolarHBondContact O-N 3.29Å; A2-Q5 VanDerWaalsContact O-N 3.16Å; A2-A6 PolarHBondContact O-N 2.94Å
3I83.9Confident82.2Confident32 Ų3295.5 Ų95.516%0.16447%0.468CS..Hα-helixtrans-57.6-43.3176.3-63.1174.1000111.5M1 Q5 A6 D7 K23 L27 M30M1-I3 PolarHBondContact O-N 3.42Å; I3-Q5 VanDerWaalsContact C-N 3.33Å; I3-Q5 PolarHBondContact O-N 3.36Å; I3-A6 PolarHBondContact O-N 3.29Å; I3-D7 PolarHBondContact O-N 3.34Å; I3-K23 HydrophobicContact CG2-CG 4.34Å; I3-L27 HydrophobicContact CD1-CD2 3.96Å; I3-L27 HydrophobicContact CD1-CG 4.19Å; I3-M30 HydrophobicContact CD1-SD 3.51Å; I3-M30 VanDerWaalsContact CD1-SD 3.51Å
4Q83.4Confident81.7Confident126 Ų12699.7 Ų99.759%0.58948%0.482SS*.Hα-helixtrans-65.3-35.1179.5-67.7172.1-1600112.5M1 A2 K8M1-Q4 PolarHBondContact O-N 2.8Å; A2-Q4 VanDerWaalsContact C-N 3.31Å; A2-Q4 PolarHBondContact O-N 3.03Å; Q4-K8 VanDerWaalsContact O-CG 3.3Å; Q4-K8 WeakPolarHBondContact O-CG 3.4Å; Q4-K8 PolarHBondContact O-N 3.06Å
5Q83.1Confident81.3Confident91 Ų91102.3 Ų102.343%0.42550%0.499SS..Hα-helixtrans-71.9-40.5174.5-67.7-65.7-4.500111.2M1 A2 I3 D7 K8 L9M1-Q5 PolarHBondContact O-N 3.43Å; M1-Q5 VanDerWaalsContact O-N 3.14Å; A2-Q5 PolarHBondContact O-N 3.29Å; A2-Q5 VanDerWaalsContact O-N 3.16Å; I3-Q5 VanDerWaalsContact C-N 3.33Å; I3-Q5 PolarHBondContact O-N 3.36Å; Q5-D7 VanDerWaalsContact C-N 3.35Å; Q5-D7 PolarHBondContact O-N 2.98Å; Q5-K8 WeakPolarHBondContact O-CB 3.35Å; Q5-K8 PolarHBondContact O-N 3.23Å; Q5-L9 WeakPolarHBondContact O-CG 3.29Å; Q5-L9 PolarHBondContact O-N 2.85Å
6A83.8Confident81.5Confident7 Ų7100.6 Ų100.66%0.05849%0.493CS..Hα-helixtrans-60.1-44.2172.900000111.4A2 I3 K8 L9 L10 K23A2-A6 PolarHBondContact O-N 2.94Å; I3-A6 PolarHBondContact O-N 3.29Å; A6-K8 VanDerWaalsContact C-N 3.34Å; A6-K8 PolarHBondContact O-N 2.85Å; A6-L9 PolarHBondContact O-N 3.49Å; A6-L10 WeakPolarHBondContact O-CB 3.49Å; A6-L10 VanDerWaalsContact O-CG 3.26Å; A6-L10 WeakPolarHBondContact O-CG 3.29Å; A6-L10 PolarHBondContact O-N 3.5Å; A6-K23 HydrophobicContact CB-CB 3.86Å
7D85.6Confident81.8Confident52 Ų5297.3 Ų97.328%0.27848%0.476SS..Hα-helixtrans-63.2-37.3175.4-74.7-34000112.6I3 Q5 L10 K11 K23I3-D7 PolarHBondContact O-N 3.34Å; Q5-D7 VanDerWaalsContact C-N 3.35Å; Q5-D7 PolarHBondContact O-N 2.98Å; D7-L10 PolarHBondContact O-N 2.97Å; D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 VanDerWaalsContact O-CG 3.29Å; D7-K11 WeakPolarHBondContact O-CG 3.26Å; D7-K11 PolarHBondContact O-N 3.22Å; D7-K23 WeakPolarHBondContact OD1-CD 3.48Å; D7-K23 WeakPolarHBondContact OD1-CE 3.38Å; D7-K23 IonicContact OD1-NZ 2.86Å; D7-K23 PolarHBondContact OD1-NZ 2.96Å; D7-K23 IonicContact OD2-NZ 2.73Å
8K85.9Confident81.9Confident122 Ų12293.4 Ų93.453%0.5346%0.459SS..Hα-helixtrans-64.2-40.7173.5-77174.6-176.6-179.30111.9Q4 Q5 A6 K12Q4-K8 VanDerWaalsContact O-CG 3.3Å; Q4-K8 WeakPolarHBondContact O-CG 3.4Å; Q4-K8 PolarHBondContact O-N 3.06Å; Q5-K8 WeakPolarHBondContact O-CB 3.35Å; Q5-K8 PolarHBondContact O-N 3.23Å; A6-K8 VanDerWaalsContact C-N 3.34Å; A6-K8 PolarHBondContact O-N 2.85Å; K8-K12 PolarHBondContact O-N 3.14Å
9L84.7Confident82.2Confident79 Ų7988.6 Ų88.641%0.41444%0.437SS..Hα-helixtrans-66.7-45.1176.3-74.7167.1000111.1Q5 A6 K11 K12 H13 A19Q5-L9 WeakPolarHBondContact O-CG 3.29Å; Q5-L9 PolarHBondContact O-N 2.85Å; A6-L9 PolarHBondContact O-N 3.49Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.17Å; L9-K12 PolarHBondContact O-N 3.42Å; L9-H13 PolarHBondContact O-N 2.93Å; L9-A19 HydrophobicContact CB-CB 4.21Å
10L85.6Confident82.4Confident26 Ų2686.9 Ų86.914%0.13643%0.426CS..Hα-helixtrans-66.1-27.3178.3-67.9170.7000113.1A6 D7 K12 H13 K14 A19 K20 K23A6-L10 WeakPolarHBondContact O-CB 3.49Å; A6-L10 VanDerWaalsContact O-CG 3.26Å; A6-L10 WeakPolarHBondContact O-CG 3.29Å; A6-L10 PolarHBondContact O-N 3.5Å; D7-L10 PolarHBondContact O-N 2.97Å; L10-K12 VanDerWaalsContact C-N 3.35Å; L10-H13 CarbonylContact O-C 3.6Å; L10-K14 WeakPolarHBondContact O-CA 3.46Å; L10-K14 WeakPolarHBondContact O-CG 3.3Å; L10-K14 PolarHBondContact O-N 3.38Å; L10-A19 HydrophobicContact CD2-CB 3.93Å; L10-A19 HydrophobicContact CG-CB 4.13Å; L10-K20 HydrophobicContact CD1-CG 4.01Å; L10-K20 HydrophobicContact CD2-CB 4.44Å; L10-K20 HydrophobicContact CD2-CG 3.42Å; L10-K20 VanDerWaalsContact CD2-CG 3.42Å; L10-K20 HydrophobicContact CG-CG 4.37Å; L10-K23 HydrophobicContact CD1-CD 4.23Å
11K85.1Confident82.7Confident175 Ų17582.8 Ų82.876%0.76141%0.406SS*.Hα-helixtrans-66.4-34.6170.1-79.5176.9-178.4-175.10112.9D7 L9D7-K11 WeakPolarHBondContact O-CB 3.43Å; D7-K11 VanDerWaalsContact O-CG 3.29Å; D7-K11 WeakPolarHBondContact O-CG 3.26Å; D7-K11 PolarHBondContact O-N 3.22Å; L9-K11 VanDerWaalsContact C-N 3.27Å; L9-K11 PolarHBondContact O-N 3.17Å
12K83.4Confident83.8Confident169 Ų16978.5 Ų78.574%0.73539%0.386SS*.Hα-helixtrans-86.7-37.4179.5-68.6-175.3177.4-1740112.6K8 L9 L10K8-K12 PolarHBondContact O-N 3.14Å; L9-K12 PolarHBondContact O-N 3.42Å; L10-K12 VanDerWaalsContact C-N 3.35Å
13H82.3Confident84.5Confident115 Ų11577.6 Ų77.653%0.53237%0.369SS..  trans-135.389.8-176.8-59.2-76.8000109.1L9 L10 D15 L16L9-H13 PolarHBondContact O-N 2.93Å; L10-H13 CarbonylContact O-C 3.6Å; H13-D15 PolarHBondContact O-N 3.45Å; H13-L16 HydrophobicContact CB-CB 4.07Å; H13-L16 PolarHBondContact O-N 3.26Å
14K75.1Confident84.8Confident154 Ų15476 Ų7667%0.6736%0.362SS*.THydrogen-bonded Turntrans-64.6-27.2-175.2-69.9-175.8178.7-179.30113.6L10 K20L10-K14 WeakPolarHBondContact O-CA 3.46Å; L10-K14 WeakPolarHBondContact O-CG 3.3Å; L10-K14 PolarHBondContact O-N 3.38Å; K14-K20 WeakPolarHBondContact O-CE 3.47Å
15D76.1Confident85Confident138 Ų13870.8 Ų70.874%0.73834%0.337SS*.THydrogen-bonded Turntrans-96.59.3-174.9-52.6-37.6000113.1H13 H17H13-D15 PolarHBondContact O-N 3.45Å; D15-H17 PolarHBondContact O-CD2 3.5Å; D15-H17 VanDerWaalsContact O-CD2 3.29Å; D15-H17 PolarHBondContact O-N 3.29Å
16L85Confident85.2Confident76 Ų7667 Ų6740%0.39832%0.323SS..  trans-76.288.8176.6-171.264.5000110.2H13 C18 A19 K20H13-L16 HydrophobicContact CB-CB 4.07Å; H13-L16 PolarHBondContact O-N 3.26Å; L16-C18 VanDerWaalsContact C-N 3.34Å; L16-C18 PolarHBondContact O-N 3.27Å; L16-A19 HydrophobicContact CB-CB 4.25Å; L16-A19 HydrophobicContact CD2-CB 3.78Å; L16-A19 HydrophobicContact CG-CB 3.98Å; L16-A19 PolarHBondContact O-N 3.42Å; L16-K20 PolarHBondContact O-N 2.59Å
17H85.3Confident85.3Confident44 Ų4467.2 Ų67.220%0.20432%0.323CS..Hα-helixtrans-49.6-50.2-178.6-65.2165.2000112.7D15 A19 K20 V21 V43 L46 S53D15-H17 PolarHBondContact O-CD2 3.5Å; D15-H17 VanDerWaalsContact O-CD2 3.29Å; D15-H17 PolarHBondContact O-N 3.29Å; H17-A19 VanDerWaalsContact C-N 3.28Å; H17-A19 PolarHBondContact O-N 3.1Å; H17-K20 WeakPolarHBondContact O-CB 2.96Å; H17-K20 PolarHBondContact O-N 3.09Å; H17-V21 WeakPolarHBondContact O-CG2 3.49Å; H17-V21 PolarHBondContact O-N 3.06Å; H17-V21 VanDerWaalsContact O-N 3.1Å; H17-V43 HydrophobicContact CB-CG1 3.82Å; H17-L46 VanDerWaalsContact NE2-CD1 3.29Å; H17-L46 WeakPolarHBondContact NE2-CD1 3.48Å; H17-S53 WeakPolarHBondContact CB-OG 3.49Å
18C85Confident85.3Confident27 Ų2765.4 Ų65.418%0.18231%0.313CS..Hα-helixtrans-53.6-40.6178.2179.60000113.1L16 K20 V21 L22 N52 S53L16-C18 VanDerWaalsContact C-N 3.34Å; L16-C18 PolarHBondContact O-N 3.27Å; C18-K20 PolarHBondContact O-N 3.32Å; C18-V21 PolarHBondContact O-N 3.38Å; C18-L22 WeakPolarHBondContact O-CG 3.47Å; C18-L22 PolarHBondContact O-N 3.1Å; C18-N52 HydrophobicContact CB-CB 4.35Å; C18-S53 PolarHBondContact N-OG 2.84Å; C18-S53 VanDerWaalsContact N-OG 3.09Å
19A86.1Confident85.2Confident3 Ų367.9 Ų67.93%0.02532%0.319CS..Hα-helixtrans-68.2-33.5178.300000112.9L9 L10 L16 H17 K23L9-A19 HydrophobicContact CB-CB 4.21Å; L10-A19 HydrophobicContact CD2-CB 3.93Å; L10-A19 HydrophobicContact CG-CB 4.13Å; L16-A19 HydrophobicContact CB-CB 4.25Å; L16-A19 HydrophobicContact CD2-CB 3.78Å; L16-A19 HydrophobicContact CG-CB 3.98Å; L16-A19 PolarHBondContact O-N 3.42Å; H17-A19 VanDerWaalsContact C-N 3.28Å; H17-A19 PolarHBondContact O-N 3.1Å; A19-K23 PolarHBondContact O-N 2.95Å; A19-K23 VanDerWaalsContact O-N 3.07Å
20K87.7Confident85.1Confident54 Ų5470.5 Ų70.524%0.23533%0.331CS..Hα-helixtrans-65.1-41.7172.2-67.9-169.5179.1-179.50111.3L10 K14 L16 H17 C18 K23 A24 V43L10-K20 HydrophobicContact CD1-CG 4.01Å; L10-K20 HydrophobicContact CD2-CB 4.44Å; L10-K20 HydrophobicContact CD2-CG 3.42Å; L10-K20 VanDerWaalsContact CD2-CG 3.42Å; L10-K20 HydrophobicContact CG-CG 4.37Å; K14-K20 WeakPolarHBondContact O-CE 3.47Å; L16-K20 PolarHBondContact O-N 2.59Å; H17-K20 WeakPolarHBondContact O-CB 2.96Å; H17-K20 PolarHBondContact O-N 3.09Å; C18-K20 PolarHBondContact O-N 3.32Å; K20-K23 WeakPolarHBondContact O-CB 3.42Å; K20-K23 PolarHBondContact O-N 3.01Å; K20-A24 PolarHBondContact O-N 3.41Å; K20-V43 HydrophobicContact CB-CG2 3.76Å; K20-V43 HydrophobicContact CD-CG2 4.13Å
21V88.9Confident84.6Confident0 Ų071.9 Ų71.90%035%0.351CS..Hα-helixtrans-68.6-41.1178.8-1750000111.4H17 C18 K23 A24 I25 V43 A56 L57 L60H17-V21 WeakPolarHBondContact O-CG2 3.49Å; H17-V21 PolarHBondContact O-N 3.06Å; H17-V21 VanDerWaalsContact O-N 3.1Å; C18-V21 PolarHBondContact O-N 3.38Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 3.46Å; V21-A24 WeakPolarHBondContact O-CA 3.43Å; V21-A24 WeakPolarHBondContact O-CB 3.35Å; V21-A24 PolarHBondContact O-N 3.21Å; V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.06Å; V21-V43 HydrophobicContact CG2-CB 4.02Å; V21-V43 HydrophobicContact CG2-CG1 3.75Å; V21-V43 HydrophobicContact CG2-CG2 3.95Å; V21-A56 HydrophobicContact CB-CB 4Å; V21-A56 VanDerWaalsContact CG1-C 3.47Å; V21-A56 HydrophobicContact CG1-CB 3.64Å; V21-L57 HydrophobicContact CB-CD2 4.5Å; V21-L57 HydrophobicContact CG1-CD2 3.87Å; V21-L57 HydrophobicContact CG1-CG 4.01Å; V21-L57 HydrophobicContact CG2-CD2 3.73Å; V21-L57 HydrophobicContact CG2-CG 3.8Å; V21-L60 HydrophobicContact CG1-CB 4.41Å; V21-L60 HydrophobicContact CG1-CD2 4.13Å
22L88.8Confident84.5Confident88 Ų8867.8 Ų67.846%0.46133%0.333SS..Hα-helixtrans-61.6-34.9173.7-71.1173.3000112.3C18 I25 G26C18-L22 WeakPolarHBondContact O-CG 3.47Å; C18-L22 PolarHBondContact O-N 3.1Å; L22-I25 HydrophobicContact CD2-CD1 4.34Å; L22-I25 PolarHBondContact O-N 3.4Å; L22-G26 PolarHBondContact O-N 3.07Å
23K89.7Confident84.5Confident51 Ų5163.6 Ų63.622%0.22232%0.316CS..Hα-helixtrans-63-45.1170.2178.4175.6177.9170.50111.4I3 A6 D7 L10 A19 K20 V21 I25 G26 L27 L39I3-K23 HydrophobicContact CG2-CG 4.34Å; A6-K23 HydrophobicContact CB-CB 3.86Å; D7-K23 WeakPolarHBondContact OD1-CD 3.48Å; D7-K23 WeakPolarHBondContact OD1-CE 3.38Å; D7-K23 IonicContact OD1-NZ 2.86Å; D7-K23 PolarHBondContact OD1-NZ 2.96Å; D7-K23 IonicContact OD2-NZ 2.73Å; L10-K23 HydrophobicContact CD1-CD 4.23Å; A19-K23 PolarHBondContact O-N 2.95Å; A19-K23 VanDerWaalsContact O-N 3.07Å; K20-K23 WeakPolarHBondContact O-CB 3.42Å; K20-K23 PolarHBondContact O-N 3.01Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 3.46Å; K23-I25 PolarHBondContact O-N 2.73Å; K23-G26 WeakPolarHBondContact O-CA 3.46Å; K23-G26 PolarHBondContact O-N 2.83Å; K23-G26 VanDerWaalsContact O-N 3.12Å; K23-L27 HydrophobicContact CG-CD1 4.23Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 3.49Å; K23-L39 HydrophobicContact CD-CD1 4.31Å; K23-L39 HydrophobicContact CG-CD1 4.26Å
24A89.4Confident84.6Confident0 Ų064.6 Ų64.60%033%0.325CS..Hα-helixtrans-60.6-41.7176.900000112.1K20 V21 G26 L27 Q28 A36 L39 L60K20-A24 PolarHBondContact O-N 3.41Å; V21-A24 WeakPolarHBondContact O-CA 3.43Å; V21-A24 WeakPolarHBondContact O-CB 3.35Å; V21-A24 PolarHBondContact O-N 3.21Å; A24-G26 VanDerWaalsContact C-N 3.31Å; A24-G26 PolarHBondContact O-N 3.18Å; A24-L27 PolarHBondContact O-N 3.24Å; A24-L27 VanDerWaalsContact O-N 3.16Å; A24-Q28 WeakPolarHBondContact O-CB 3.5Å; A24-Q28 PolarHBondContact O-N 2.94Å; A24-A36 HydrophobicContact CB-CB 4.45Å; A24-A36 WeakPolarHBondContact CB-O 3.44Å; A24-A36 VanDerWaalsContact O-CB 3.27Å; A24-A36 WeakPolarHBondContact O-CB 3.48Å; A24-L39 HydrophobicContact CB-CB 3.93Å; A24-L39 HydrophobicContact CB-CD1 4.39Å; A24-L60 HydrophobicContact CB-CD2 3.59Å
25I87.6Confident85.1Confident15 Ų1561.7 Ų61.78%0.07731%0.314CS..Hα-helixtrans-59.5-42.5172.2-65.8170.6000111.2V21 L22 K23 L27 Q28 R29 I59 L60V21-I25 WeakPolarHBondContact O-CG1 3.4Å; V21-I25 PolarHBondContact O-N 3.06Å; L22-I25 HydrophobicContact CD2-CD1 4.34Å; L22-I25 PolarHBondContact O-N 3.4Å; K23-I25 PolarHBondContact O-N 2.73Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.16Å; I25-Q28 WeakPolarHBondContact O-CB 3.27Å; I25-Q28 PolarHBondContact O-N 3.35Å; I25-R29 WeakPolarHBondContact O-CG 3.27Å; I25-R29 PolarHBondContact O-N 3.37Å; I25-I59 HydrophobicContact CD1-CB 4.37Å; I25-I59 HydrophobicContact CD1-CG2 4.11Å; I25-L60 HydrophobicContact CD1-CB 4.36Å; I25-L60 HydrophobicContact CG1-CB 3.8Å; I25-L60 HydrophobicContact CG1-CD1 3.92Å; I25-L60 HydrophobicContact CG1-CG 4.31Å
26G87.1Confident85.7Confident12 Ų1255.1 Ų55.112%0.12428%0.279CS..Hα-helixtrans-59.5-42.2175.200000112.9L22 K23 A24 M30L22-G26 PolarHBondContact O-N 3.07Å; K23-G26 WeakPolarHBondContact O-CA 3.46Å; K23-G26 PolarHBondContact O-N 2.83Å; K23-G26 VanDerWaalsContact O-N 3.12Å; A24-G26 VanDerWaalsContact C-N 3.31Å; A24-G26 PolarHBondContact O-N 3.18Å; G26-M30 WeakPolarHBondContact O-CG 3.18Å; G26-M30 PolarHBondContact O-N 2.96Å
27L86.8Confident85.9Confident12 Ų1253.3 Ų53.36%0.06327%0.268CS..Hα-helixtrans-68.6-41.3177.6-70.3166.8000112.1I3 K23 A24 I25 R29 M30 G31 K32 E35 A36 L39I3-L27 HydrophobicContact CD1-CD2 3.96Å; I3-L27 HydrophobicContact CD1-CG 4.19Å; K23-L27 HydrophobicContact CG-CD1 4.23Å; K23-L27 WeakPolarHBondContact O-CG 3.42Å; K23-L27 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.24Å; A24-L27 VanDerWaalsContact O-N 3.16Å; I25-L27 VanDerWaalsContact C-N 3.33Å; I25-L27 PolarHBondContact O-N 3.16Å; L27-R29 VanDerWaalsContact C-N 3.35Å; L27-R29 PolarHBondContact O-N 3.33Å; L27-M30 CarbonylContact O-C 3.56Å; L27-M30 PolarHBondContact O-N 3.14Å; L27-G31 PolarHBondContact O-N 3.35Å; L27-K32 HydrophobicContact CB-CB 4.28Å; L27-K32 HydrophobicContact CD2-CB 4.41Å; L27-K32 HydrophobicContact CD2-CD 3.71Å; L27-K32 PolarHBondContact O-N 3.25Å; L27-E35 HydrophobicContact CD1-CB 4.23Å; L27-A36 HydrophobicContact CB-CB 4Å; L27-L39 HydrophobicContact CD1-CD1 3.58Å
28Q85.6Confident86.2Confident13 Ų1354.1 Ų54.16%0.06128%0.278CS..Hα-helixtrans-54.8-50.3175178.565.18.600111.2A24 I25 M30 G31 Q33 A36 L60 E63 M64A24-Q28 WeakPolarHBondContact O-CB 3.5Å; A24-Q28 PolarHBondContact O-N 2.94Å; I25-Q28 WeakPolarHBondContact O-CB 3.27Å; I25-Q28 PolarHBondContact O-N 3.35Å; Q28-M30 PolarHBondContact O-N 3.44Å; Q28-G31 PolarHBondContact O-N 2.87Å; Q28-Q33 VanDerWaalsContact CD-CD 3.45Å; Q28-A36 HydrophobicContact CB-CB 3.99Å; Q28-L60 HydrophobicContact CB-CD1 3.97Å; Q28-L60 HydrophobicContact CG-CD1 4.17Å; Q28-E63 HydrophobicContact CG-CB 4.32Å; Q28-E63 PolarHBondContact NE2-O 3.15Å; Q28-M64 HydrophobicContact CG-CG 4.38Å
29R83.6Confident86.4Confident175 Ų17554.3 Ų54.366%0.6628%0.278SS*.Hα-helixtrans-70-14.4179.4-66.7178.4-178.9-1710.4113.9I25 L27 E63I25-R29 WeakPolarHBondContact O-CG 3.27Å; I25-R29 PolarHBondContact O-N 3.37Å; L27-R29 VanDerWaalsContact C-N 3.35Å; L27-R29 PolarHBondContact O-N 3.33Å; R29-E63 IonicContact CZ-OE1 3.25Å; R29-E63 IonicContact CZ-OE2 2.72Å; R29-E63 IonicContact NE-OE1 3.41Å; R29-E63 PolarHBondContact NE-OE1 3.24Å; R29-E63 IonicContact NE-OE2 3.85Å; R29-E63 PolarHBondContact NE-OE2 3.42Å; R29-E63 IonicContact NH2-OE1 3.12Å; R29-E63 PolarHBondContact NH2-OE1 2.92Å; R29-E63 IonicContact NH2-OE2 2.84Å
30M82.1Confident86.6Confident134 Ų13454.2 Ų54.266%0.6628%0.276SS*.THydrogen-bonded Turntrans-92.12.9171.4-72.5-172.966.200113.1I3 G26 L27 Q28I3-M30 HydrophobicContact CD1-SD 3.51Å; I3-M30 VanDerWaalsContact CD1-SD 3.51Å; G26-M30 WeakPolarHBondContact O-CG 3.18Å; G26-M30 PolarHBondContact O-N 2.96Å; L27-M30 CarbonylContact O-C 3.56Å; L27-M30 PolarHBondContact O-N 3.14Å; Q28-M30 PolarHBondContact O-N 3.44Å
31G75.8Confident86.7Confident54 Ų5456.4 Ų56.456%0.55729%0.288SS*.THydrogen-bonded Turntrans85.54-179.500000114.9L27 Q28 Q33L27-G31 PolarHBondContact O-N 3.35Å; Q28-G31 PolarHBondContact O-N 2.87Å; G31-Q33 VanDerWaalsContact C-N 3.34Å; G31-Q33 PolarHBondContact O-N 3.25Å; G31-Q33 VanDerWaalsContact O-N 3.15Å
32K82.6Confident86.8Confident90 Ų9061.5 Ų61.539%0.39131%0.311SS..  trans-89.767.2179.2-66.7178154.9-130.50111.5L27 D34 E35 A36L27-K32 HydrophobicContact CB-CB 4.28Å; L27-K32 HydrophobicContact CD2-CB 4.41Å; L27-K32 HydrophobicContact CD2-CD 3.71Å; L27-K32 PolarHBondContact O-N 3.25Å; K32-D34 PolarHBondContact O-N 3.26Å; K32-E35 HydrophobicContact CB-CB 4.39Å; K32-E35 IonicContact NZ-OE1 3.33Å; K32-E35 PolarHBondContact NZ-OE1 3.01Å; K32-E35 IonicContact NZ-OE2 3.49Å; K32-E35 PolarHBondContact NZ-OE2 3.4Å; K32-A36 WeakPolarHBondContact O-CB 3.34Å; K32-A36 PolarHBondContact O-N 3.29Å; K32-A36 VanDerWaalsContact O-N 3.09Å
33Q84.2Confident86.8Confident81 Ų8157.3 Ų57.338%0.37929%0.289SS..Hα-helixtrans-58.5-46.8-173-61.3-71.1-41.600113Q28 G31 A36 F37Q28-Q33 VanDerWaalsContact CD-CD 3.45Å; G31-Q33 VanDerWaalsContact C-N 3.34Å; G31-Q33 PolarHBondContact O-N 3.25Å; G31-Q33 VanDerWaalsContact O-N 3.15Å; Q33-A36 PolarHBondContact O-N 3.28Å; Q33-F37 WeakPolarHBondContact O-CB 3.43Å; Q33-F37 PolarHBondContact O-N 2.97Å
34D83.8Confident86.7Confident135 Ų13556.5 Ų56.572%0.72229%0.289SS*.Hα-helixtrans-67.7-42.5-175.2-62.7-32.5000112.7K32 F37 S38K32-D34 PolarHBondContact O-N 3.26Å; D34-F37 PolarHBondContact O-N 2.94Å; D34-S38 WeakPolarHBondContact O-CB 3.47Å; D34-S38 PolarHBondContact O-N 3.38Å; D34-S38 PolarHBondContact O-OG 3.42Å
35E87.1Confident86.7Confident94 Ų9460.4 Ų60.444%0.43932%0.321SS..Hα-helixtrans-63.7-42.8175.3-67.3-179.7-145.700110.7L27 K32 L39L27-E35 HydrophobicContact CD1-CB 4.23Å; K32-E35 HydrophobicContact CB-CB 4.39Å; K32-E35 IonicContact NZ-OE1 3.33Å; K32-E35 PolarHBondContact NZ-OE1 3.01Å; K32-E35 IonicContact NZ-OE2 3.49Å; K32-E35 PolarHBondContact NZ-OE2 3.4Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 3.19Å
36A88.5Confident86.8Confident0 Ų064.2 Ų64.20%034%0.341CS..Hα-helixtrans-63-45.4176.900000111.7A24 L27 Q28 K32 Q33 L39 A40A24-A36 HydrophobicContact CB-CB 4.45Å; A24-A36 WeakPolarHBondContact CB-O 3.44Å; A24-A36 VanDerWaalsContact O-CB 3.27Å; A24-A36 WeakPolarHBondContact O-CB 3.48Å; L27-A36 HydrophobicContact CB-CB 4Å; Q28-A36 HydrophobicContact CB-CB 3.99Å; K32-A36 WeakPolarHBondContact O-CB 3.34Å; K32-A36 PolarHBondContact O-N 3.29Å; K32-A36 VanDerWaalsContact O-N 3.09Å; Q33-A36 PolarHBondContact O-N 3.28Å; A36-L39 PolarHBondContact O-N 3.19Å; A36-A40 PolarHBondContact O-N 3.45Å
37F89Confident86.8Confident37 Ų3768 Ų6816%0.16236%0.356CS..Hα-helixtrans-65.1-42179.9-169.2-121.1000112.2Q33 D34 L39 A40 Q41 Y61 M64 L69Q33-F37 WeakPolarHBondContact O-CB 3.43Å; Q33-F37 PolarHBondContact O-N 2.97Å; D34-F37 PolarHBondContact O-N 2.94Å; F37-L39 PolarHBondContact O-N 3.3Å; F37-A40 WeakPolarHBondContact O-CB 3.37Å; F37-A40 PolarHBondContact O-N 3.26Å; F37-A40 VanDerWaalsContact O-N 3.14Å; F37-Q41 HydrophobicContact CD1-CG 4.35Å; F37-Q41 VanDerWaalsContact CE1-CD 3.45Å; F37-Q41 HydrophobicContact CE1-CG 4.02Å; F37-Q41 HydrophobicContact CE2-CG 4.3Å; F37-Q41 HydrophobicContact CZ-CG 3.99Å; F37-Q41 VanDerWaalsContact CZ-NE2 3.32Å; F37-Q41 WeakPolarHBondContact O-CG 3.39Å; F37-Q41 PolarHBondContact O-N 3.3Å; F37-Y61 HydrophobicContact CE2-CE1 4.25Å; F37-M64 HydrophobicContact CB-CE 3.55Å; F37-M64 HydrophobicContact CB-SD 4.46Å; F37-M64 HydrophobicContact CD2-CE 3.48Å; F37-M64 VanDerWaalsContact CD2-CE 3.48Å; F37-M64 HydrophobicContact CD2-SD 3.81Å; F37-M64 HydrophobicContact CE2-CE 4.49Å; F37-M64 HydrophobicContact CG-CE 3.83Å; F37-L69 HydrophobicContact CE2-CD1 3.73Å; F37-L69 HydrophobicContact CZ-CD1 4.27Å
38S90.8Very high86.9Confident61 Ų6167.8 Ų67.843%0.42736%0.355SS..Hα-helixtrans-58.7-47.2178.2-59.20000111.2D34 A40 Q41 E42D34-S38 WeakPolarHBondContact O-CB 3.47Å; D34-S38 PolarHBondContact O-N 3.38Å; D34-S38 PolarHBondContact O-OG 3.42Å; S38-A40 VanDerWaalsContact C-N 3.33Å; S38-A40 PolarHBondContact O-N 3.43Å; S38-Q41 PolarHBondContact O-N 2.93Å; S38-E42 PolarHBondContact O-N 2.92Å
39L89.6Confident86.9Confident32 Ų3269.8 Ų69.817%0.16837%0.368CS..Hα-helixtrans-63.5-37175.7-71.5173.5000112.7K23 A24 L27 E35 A36 F37 E42 V43K23-L39 HydrophobicContact CD-CD1 4.31Å; K23-L39 HydrophobicContact CG-CD1 4.26Å; A24-L39 HydrophobicContact CB-CB 3.93Å; A24-L39 HydrophobicContact CB-CD1 4.39Å; L27-L39 HydrophobicContact CD1-CD1 3.58Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 3.19Å; A36-L39 PolarHBondContact O-N 3.19Å; F37-L39 PolarHBondContact O-N 3.3Å; L39-E42 PolarHBondContact O-N 3.34Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.17Å
40A90.4Very high87.1Confident0 Ų064.4 Ų64.40%035%0.352CS..Hα-helixtrans-63.9-41.7176.400000111.9A36 F37 S38 V43 T44 L57 L60 Y61A36-A40 PolarHBondContact O-N 3.45Å; F37-A40 WeakPolarHBondContact O-CB 3.37Å; F37-A40 PolarHBondContact O-N 3.26Å; F37-A40 VanDerWaalsContact O-N 3.14Å; S38-A40 VanDerWaalsContact C-N 3.33Å; S38-A40 PolarHBondContact O-N 3.43Å; A40-V43 PolarHBondContact O-N 3.46Å; A40-T44 WeakPolarHBondContact O-CB 3.38Å; A40-T44 PolarHBondContact O-N 3.1Å; A40-T44 PolarHBondContact O-OG1 2.78Å; A40-L57 HydrophobicContact CB-CD2 4.37Å; A40-L60 HydrophobicContact CB-CD2 3.51Å; A40-Y61 HydrophobicContact CB-CE1 3.95Å
41Q90.3Very high87.3Confident100 Ų10060.8 Ų60.847%0.46734%0.336SS..Hα-helixtrans-66.3-41.6178-74-170.4-34.200112F37 S38 V43 T44 A45F37-Q41 HydrophobicContact CD1-CG 4.35Å; F37-Q41 VanDerWaalsContact CE1-CD 3.45Å; F37-Q41 HydrophobicContact CE1-CG 4.02Å; F37-Q41 HydrophobicContact CE2-CG 4.3Å; F37-Q41 HydrophobicContact CZ-CG 3.99Å; F37-Q41 VanDerWaalsContact CZ-NE2 3.32Å; F37-Q41 WeakPolarHBondContact O-CG 3.39Å; F37-Q41 PolarHBondContact O-N 3.3Å; S38-Q41 PolarHBondContact O-N 2.93Å; Q41-V43 VanDerWaalsContact C-N 3.31Å; Q41-V43 PolarHBondContact O-N 3.37Å; Q41-T44 PolarHBondContact O-N 3.15Å; Q41-A45 WeakPolarHBondContact O-CB 3.14Å; Q41-A45 PolarHBondContact O-N 2.98Å
42E89.6Confident87.9Confident107 Ų10763.5 Ų63.550%0.534%0.337SS..Hα-helixtrans-55.1-46.8174.8-74.7179.1-159.500111.9S38 L39S38-E42 PolarHBondContact O-N 2.92Å; L39-E42 PolarHBondContact O-N 3.34Å
43V88.9Confident88.3Confident0 Ų059.2 Ų59.20%032%0.319CS..Hα-helixtrans-70.9-39.8-179.8-179.50000111.2H17 K20 V21 L39 A40 Q41 A45 L46 P48 L57H17-V43 HydrophobicContact CB-CG1 3.82Å; K20-V43 HydrophobicContact CB-CG2 3.76Å; K20-V43 HydrophobicContact CD-CG2 4.13Å; V21-V43 HydrophobicContact CG2-CB 4.02Å; V21-V43 HydrophobicContact CG2-CG1 3.75Å; V21-V43 HydrophobicContact CG2-CG2 3.95Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 3.17Å; A40-V43 PolarHBondContact O-N 3.46Å; Q41-V43 VanDerWaalsContact C-N 3.31Å; Q41-V43 PolarHBondContact O-N 3.37Å; V43-A45 VanDerWaalsContact C-N 3.31Å; V43-A45 PolarHBondContact O-N 2.94Å; V43-L46 WeakPolarHBondContact O-CB 3.46Å; V43-L46 PolarHBondContact O-N 3.45Å; V43-L46 VanDerWaalsContact O-N 3.14Å; V43-P48 HydrophobicContact CG1-CG 4.47Å; V43-P48 WeakPolarHBondContact O-CD 3.4Å; V43-L57 HydrophobicContact CG1-CD1 4.18Å
44T88.9Confident88.6Confident35 Ų3555.4 Ų55.422%0.21530%0.301CS..Hα-helixtrans-66.2-34.2-179.2-58.50000112A40 Q41 L46 E47 Y61 L73A40-T44 WeakPolarHBondContact O-CB 3.38Å; A40-T44 PolarHBondContact O-N 3.1Å; A40-T44 PolarHBondContact O-OG1 2.78Å; Q41-T44 PolarHBondContact O-N 3.15Å; T44-L46 PolarHBondContact O-N 2.77Å; T44-E47 PolarHBondContact O-N 2.7Å; T44-Y61 PolarHBondContact OG1-OH 2.87Å; T44-L73 HydrophobicContact CG2-CD1 4.38Å
45A89.4Confident88.9Confident81 Ų8153.1 Ų53.167%0.66929%0.286SS*.THydrogen-bonded Turntrans-62.7-21.7175.100000113.5Q41 V43 E47Q41-A45 WeakPolarHBondContact O-CB 3.14Å; Q41-A45 PolarHBondContact O-N 2.98Å; V43-A45 VanDerWaalsContact C-N 3.31Å; V43-A45 PolarHBondContact O-N 2.94Å; A45-E47 PolarHBondContact O-N 3.14Å
46L88.1Confident89.1Confident95 Ų9549 Ų4950%0.49727%0.268SS..THydrogen-bonded Turntrans-82.1-4.2175.3-57.5172000112.5H17 V43 T44H17-L46 VanDerWaalsContact NE2-CD1 3.29Å; H17-L46 WeakPolarHBondContact NE2-CD1 3.48Å; V43-L46 WeakPolarHBondContact O-CB 3.46Å; V43-L46 PolarHBondContact O-N 3.45Å; V43-L46 VanDerWaalsContact O-N 3.14Å; T44-L46 PolarHBondContact O-N 2.77Å
47E88.4Confident89.2Confident93 Ų9349 Ų4944%0.43527%0.268SS..  trans47.363.9179.5-67.7-177155.400112.1T44 A45 A76 K80T44-E47 PolarHBondContact O-N 2.7Å; A45-E47 PolarHBondContact O-N 3.14Å; E47-A76 HydrophobicContact CG-CB 4.22Å; E47-K80 PolarHBondContact O-NZ 2.64Å; E47-K80 WeakPolarHBondContact OE2-CE 3.4Å; E47-K80 IonicContact OE2-NZ 3.17Å; E47-K80 PolarHBondContact OE2-NZ 3.36Å
48P87.5Confident89.2Confident7 Ų747.9 Ų47.95%0.04526%0.264CS..  trans-63144.1-177.127.6-34.8000110.8V43 L54 L57 L73V43-P48 HydrophobicContact CG1-CG 4.47Å; V43-P48 WeakPolarHBondContact O-CD 3.4Å; P48-L54 HydrophobicContact CG-CD2 4.43Å; P48-L54 WeakPolarHBondContact O-CD2 3.5Å; P48-L57 HydrophobicContact CG-CD1 3.96Å; P48-L73 HydrophobicContact CG-CD1 4.4Å
49T86.6Confident89.1Confident54 Ų5448.4 Ų48.433%0.33126%0.261SS..  trans-113.9-4.7173.6570000112.2K80 V81 Y87T49-K80 HydrophobicContact CG2-CB 3.91Å; T49-K80 HydrophobicContact CG2-CD 3.58Å; T49-K80 HydrophobicContact CG2-CG 4.36Å; T49-V81 HydrophobicContact CG2-CG2 4.49Å; T49-Y87 PolarHBondContact O-OH 2.86Å
50D88.3Confident89.1Confident63 Ų6346.9 Ų46.934%0.33725%0.253SS..  trans-77.3134.6177.268.2-76.1000111.4N52 S53 L54D50-N52 VanDerWaalsContact C-N 3.32Å; D50-N52 PolarHBondContact O-N 3.31Å; D50-S53 PolarHBondContact O-N 3.24Å; D50-S53 WeakPolarHBondContact OD1-CB 3.37Å; D50-S53 PolarHBondContact OD1-OG 3.23Å; D50-S53 VanDerWaalsContact OD1-OG 3.1Å; D50-S53 WeakPolarHBondContact OD2-CB 3.48Å; D50-S53 PolarHBondContact OD2-N 2.92Å; D50-S53 PolarHBondContact OD2-OG 3.45Å; D50-L54 WeakPolarHBondContact O-CG 3.48Å; D50-L54 PolarHBondContact O-N 3.1Å; D50-L54 VanDerWaalsContact O-N 3.1Å
51D86.2Confident89.1Confident58 Ų5847.1 Ų47.131%0.3125%0.254SS..Hα-helixtrans-57.3-41.9-174.9178.455.5000112.7S53 L54 Q55D51-S53 PolarHBondContact O-N 3.04Å; D51-L54 PolarHBondContact O-N 3.32Å; D51-Q55 WeakPolarHBondContact O-CB 3.44Å; D51-Q55 WeakPolarHBondContact O-CG 3.28Å; D51-Q55 PolarHBondContact O-N 3.09Å; D51-Q55 PolarHBondContact OD1-NE2 3.37Å; D51-Q55 PolarHBondContact OD2-NE2 3.45Å
52N88.7Confident88.8Confident110 Ų11045.1 Ų45.159%0.58824%0.243SC*.Hα-helixtrans-59.2-45.2179.7-70.6-45.7000112.6C18 D50 A56C18-N52 HydrophobicContact CB-CB 4.35Å; D50-N52 VanDerWaalsContact C-N 3.32Å; D50-N52 PolarHBondContact O-N 3.31Å; N52-A56 VanDerWaalsContact O-CB 3.28Å; N52-A56 WeakPolarHBondContact O-CB 3.48Å; N52-A56 PolarHBondContact O-N 3.23Å
53S89.4Confident88.4Confident1 Ų142.1 Ų42.11%0.00723%0.228CC..Hα-helixtrans-70.5-38.6178-58.80000111.9H17 C18 D50 D51 A56 L57H17-S53 WeakPolarHBondContact CB-OG 3.49Å; C18-S53 PolarHBondContact N-OG 2.84Å; C18-S53 VanDerWaalsContact N-OG 3.09Å; D50-S53 PolarHBondContact O-N 3.24Å; D50-S53 WeakPolarHBondContact OD1-CB 3.37Å; D50-S53 PolarHBondContact OD1-OG 3.23Å; D50-S53 VanDerWaalsContact OD1-OG 3.1Å; D50-S53 WeakPolarHBondContact OD2-CB 3.48Å; D50-S53 PolarHBondContact OD2-N 2.92Å; D50-S53 PolarHBondContact OD2-OG 3.45Å; D51-S53 PolarHBondContact O-N 3.04Å; S53-A56 PolarHBondContact O-N 2.96Å; S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 WeakPolarHBondContact O-CG 3.47Å; S53-L57 PolarHBondContact O-N 3.42Å
54L91.2Very high88.1Confident0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-63.2-45.2176.8-70.2174.4000112.1P48 D50 D51 L57 T58 L73 Y74 A77 Y87P48-L54 HydrophobicContact CG-CD2 4.43Å; P48-L54 WeakPolarHBondContact O-CD2 3.5Å; D50-L54 WeakPolarHBondContact O-CG 3.48Å; D50-L54 PolarHBondContact O-N 3.1Å; D50-L54 VanDerWaalsContact O-N 3.1Å; D51-L54 PolarHBondContact O-N 3.32Å; L54-L57 PolarHBondContact O-N 3.02Å; L54-T58 WeakPolarHBondContact O-CB 3.34Å; L54-T58 PolarHBondContact O-N 3.05Å; L54-T58 PolarHBondContact O-OG1 3.02Å; L54-L73 HydrophobicContact CD2-CD1 3.66Å; L54-L73 HydrophobicContact CD2-CD2 3.85Å; L54-L73 HydrophobicContact CD2-CG 3.51Å; L54-Y74 HydrophobicContact CB-CE1 4.33Å; L54-Y74 HydrophobicContact CD1-CE1 4.23Å; L54-A77 HydrophobicContact CD1-CB 4.15Å; L54-A77 HydrophobicContact CD2-CB 4.47Å; L54-Y87 HydrophobicContact CD1-CD1 4.42Å; L54-Y87 HydrophobicContact CD1-CE1 3.93Å
55Q90.3Very high87.7Confident88 Ų8846.9 Ų46.941%0.41125%0.248SC..Hα-helixtrans-66.4-43.5176.2-70.5-171.519.600111.8D51 L57 T58 I59D51-Q55 WeakPolarHBondContact O-CB 3.44Å; D51-Q55 WeakPolarHBondContact O-CG 3.28Å; D51-Q55 PolarHBondContact O-N 3.09Å; D51-Q55 PolarHBondContact OD1-NE2 3.37Å; D51-Q55 PolarHBondContact OD2-NE2 3.45Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 2.9Å; Q55-T58 WeakPolarHBondContact O-CB 3.38Å; Q55-T58 PolarHBondContact O-N 3.25Å; Q55-I59 WeakPolarHBondContact O-CG1 3.37Å; Q55-I59 PolarHBondContact O-N 3.48Å
56A89.9Confident87.5Confident7 Ų748.3 Ų48.36%0.05824%0.236CC..Hα-helixtrans-60.5-43.2176.300000111.7V21 N52 S53 T58 I59 L60V21-A56 HydrophobicContact CB-CB 4Å; V21-A56 VanDerWaalsContact CG1-C 3.47Å; V21-A56 HydrophobicContact CG1-CB 3.64Å; N52-A56 VanDerWaalsContact O-CB 3.28Å; N52-A56 WeakPolarHBondContact O-CB 3.48Å; N52-A56 PolarHBondContact O-N 3.23Å; S53-A56 PolarHBondContact O-N 2.96Å; A56-T58 VanDerWaalsContact C-N 3.34Å; A56-I59 PolarHBondContact O-N 3.12Å; A56-L60 PolarHBondContact O-N 2.98Å
57L91.4Very high87.4Confident0 Ų045.2 Ų45.20%022%0.222CC..Hα-helixtrans-65.8-38.2175.8-78169.2000111.6V21 A40 V43 P48 S53 L54 Q55 I59 L60 Y61 L73V21-L57 HydrophobicContact CB-CD2 4.5Å; V21-L57 HydrophobicContact CG1-CD2 3.87Å; V21-L57 HydrophobicContact CG1-CG 4.01Å; V21-L57 HydrophobicContact CG2-CD2 3.73Å; V21-L57 HydrophobicContact CG2-CG 3.8Å; A40-L57 HydrophobicContact CB-CD2 4.37Å; V43-L57 HydrophobicContact CG1-CD1 4.18Å; P48-L57 HydrophobicContact CG-CD1 3.96Å; S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 WeakPolarHBondContact O-CG 3.47Å; S53-L57 PolarHBondContact O-N 3.42Å; L54-L57 PolarHBondContact O-N 3.02Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 2.9Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.9Å; L57-L60 PolarHBondContact O-N 3.35Å; L57-Y61 HydrophobicContact CB-CE2 4.47Å; L57-Y61 HydrophobicContact CD2-CE2 4.39Å; L57-Y61 WeakPolarHBondContact O-CB 3.5Å; L57-Y61 WeakPolarHBondContact O-CD2 3.38Å; L57-Y61 PolarHBondContact O-N 3.29Å; L57-L73 HydrophobicContact CB-CD2 3.64Å; L57-L73 HydrophobicContact CD1-CD1 3.7Å; L57-L73 HydrophobicContact CD1-CD2 4.2Å
58T89.5Confident87.5Confident13 Ų1345.2 Ų45.28%0.0822%0.222CC..Hα-helixtrans-60.1-44.4174.7-600000111.1L54 Q55 A56 R62 V70 Y74L54-T58 WeakPolarHBondContact O-CB 3.34Å; L54-T58 PolarHBondContact O-N 3.05Å; L54-T58 PolarHBondContact O-OG1 3.02Å; Q55-T58 WeakPolarHBondContact O-CB 3.38Å; Q55-T58 PolarHBondContact O-N 3.25Å; A56-T58 VanDerWaalsContact C-N 3.34Å; T58-R62 WeakPolarHBondContact O-CB 3.36Å; T58-R62 WeakPolarHBondContact O-CD 3.31Å; T58-R62 WeakPolarHBondContact O-CG 3.29Å; T58-R62 PolarHBondContact O-N 3.07Å; T58-R62 VanDerWaalsContact O-N 3.11Å; T58-V70 HydrophobicContact CG2-CG1 3.86Å; T58-V70 HydrophobicContact CG2-CG2 4.31Å; T58-Y74 WeakPolarHBondContact OG1-CE2 3.34Å; T58-Y74 PolarHBondContact OG1-OH 3.21Å
59I88.3Confident87.7Confident72 Ų7246.7 Ų46.737%0.36923%0.229SC..Hα-helixtrans-63.2-46.9176.5-67.3166.3000110.5I25 Q55 A56 L57 R62 E63I25-I59 HydrophobicContact CD1-CB 4.37Å; I25-I59 HydrophobicContact CD1-CG2 4.11Å; Q55-I59 WeakPolarHBondContact O-CG1 3.37Å; Q55-I59 PolarHBondContact O-N 3.48Å; A56-I59 PolarHBondContact O-N 3.12Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.9Å; I59-R62 PolarHBondContact O-N 3.48Å; I59-E63 PolarHBondContact O-N 3.4Å
60L89.9Confident88Confident0 Ų044.1 Ų44.10%021%0.213CC..Hα-helixtrans-59.9-52.8-179.8179.457000111.7V21 A24 I25 Q28 A40 A56 L57 R62 E63 M64V21-L60 HydrophobicContact CG1-CB 4.41Å; V21-L60 HydrophobicContact CG1-CD2 4.13Å; A24-L60 HydrophobicContact CB-CD2 3.59Å; I25-L60 HydrophobicContact CD1-CB 4.36Å; I25-L60 HydrophobicContact CG1-CB 3.8Å; I25-L60 HydrophobicContact CG1-CD1 3.92Å; I25-L60 HydrophobicContact CG1-CG 4.31Å; Q28-L60 HydrophobicContact CB-CD1 3.97Å; Q28-L60 HydrophobicContact CG-CD1 4.17Å; A40-L60 HydrophobicContact CB-CD2 3.51Å; A56-L60 PolarHBondContact O-N 2.98Å; L57-L60 PolarHBondContact O-N 3.35Å; L60-R62 PolarHBondContact O-N 3.1Å; L60-E63 CarbonylContact O-C 3.48Å; L60-E63 PolarHBondContact O-N 2.8Å; L60-M64 HydrophobicContact CD1-CG 4.15Å; L60-M64 HydrophobicContact CD1-SD 4.19Å; L60-M64 HydrophobicContact CG-CG 4.48Å; L60-M64 HydrophobicContact CG-SD 4.17Å; L60-M64 VanDerWaalsContact O-CG 3.28Å; L60-M64 WeakPolarHBondContact O-CG 3.43Å; L60-M64 PolarHBondContact O-N 3.3Å
61Y89.8Confident88.2Confident5 Ų541.7 Ų41.72%0.0220%0.201CC..Hα-helixtrans-63.6-28.8-179.8-70.1-36.5000113.3F37 A40 T44 L57 M64 H65 R66 L69 V70F37-Y61 HydrophobicContact CE2-CE1 4.25Å; A40-Y61 HydrophobicContact CB-CE1 3.95Å; T44-Y61 PolarHBondContact OG1-OH 2.87Å; L57-Y61 HydrophobicContact CB-CE2 4.47Å; L57-Y61 HydrophobicContact CD2-CE2 4.39Å; L57-Y61 WeakPolarHBondContact O-CB 3.5Å; L57-Y61 WeakPolarHBondContact O-CD2 3.38Å; L57-Y61 PolarHBondContact O-N 3.29Å; Y61-M64 HydrophobicContact CD1-SD 4.33Å; Y61-M64 PolarHBondContact O-N 3.28Å; Y61-H65 PolarHBondContact O-N 2.79Å; Y61-R66 CarbonylContact O-C 3.08Å; Y61-R66 PolarHBondContact O-N 2.98Å; Y61-L69 HydrophobicContact CD1-CB 4.07Å; Y61-L69 HydrophobicContact CD1-CD1 3.65Å; Y61-L69 HydrophobicContact CD2-CB 3.64Å; Y61-L69 HydrophobicContact CE1-CB 4.19Å; Y61-L69 HydrophobicContact CE1-CD1 3.51Å; Y61-L69 HydrophobicContact CE2-CB 3.75Å; Y61-L69 HydrophobicContact CG-CB 3.81Å; Y61-L69 HydrophobicContact CG-CD1 4.26Å; Y61-V70 HydrophobicContact CD2-CG2 4.37Å
62R83.6Confident88.5Confident59 Ų5945.2 Ų45.222%0.22321%0.213CC..Hα-helixtrans-68.6-43.6170-72.9173.269.1-161.92.7112.3T58 I59 L60 M64 H65 E552T58-R62 WeakPolarHBondContact O-CB 3.36Å; T58-R62 WeakPolarHBondContact O-CD 3.31Å; T58-R62 WeakPolarHBondContact O-CG 3.29Å; T58-R62 PolarHBondContact O-N 3.07Å; T58-R62 VanDerWaalsContact O-N 3.11Å; I59-R62 PolarHBondContact O-N 3.48Å; L60-R62 PolarHBondContact O-N 3.1Å; R62-M64 PolarHBondContact O-N 2.82Å; R62-H65 PolarHBondContact O-N 3.46Å; R62-H65 VanDerWaalsContact O-N 3.16Å; R62-E552 IonicContact CZ-OE1 2.8Å; R62-E552 IonicContact NE-OE1 2.7Å; R62-E552 PolarHBondContact NE-OE1 3.1Å; R62-E552 IonicContact NH1-OE1 2.67Å; R62-E552 VanDerWaalsContact NH2-CG 3.28Å; R62-E552 IonicContact NH2-OE1 2.62Å; R62-E552 PolarHBondContact NH2-OE1 2.84Å
63E82.7Confident88.7Confident43 Ų4340.2 Ų40.220%0.20119%0.187CC..Hα-helixtrans-67.9-19.6175.5-72.7-173.8-174.600113.1Q28 R29 I59 L60Q28-E63 HydrophobicContact CG-CB 4.32Å; Q28-E63 PolarHBondContact NE2-O 3.15Å; R29-E63 IonicContact CZ-OE1 3.25Å; R29-E63 IonicContact CZ-OE2 2.72Å; R29-E63 IonicContact NE-OE1 3.41Å; R29-E63 PolarHBondContact NE-OE1 3.24Å; R29-E63 IonicContact NE-OE2 3.85Å; R29-E63 PolarHBondContact NE-OE2 3.42Å; R29-E63 IonicContact NH2-OE1 3.12Å; R29-E63 PolarHBondContact NH2-OE1 2.92Å; R29-E63 IonicContact NH2-OE2 2.84Å; I59-E63 PolarHBondContact O-N 3.4Å; L60-E63 CarbonylContact O-C 3.48Å; L60-E63 PolarHBondContact O-N 2.8Å
64M82.8Confident88.9Confident18 Ų1840.5 Ų40.59%0.08919%0.188CC..THydrogen-bonded Turntrans-891.4173.7-66.2-171.582.300113.7Q28 F37 L60 Y61 R62 R66Q28-M64 HydrophobicContact CG-CG 4.38Å; F37-M64 HydrophobicContact CB-CE 3.55Å; F37-M64 HydrophobicContact CB-SD 4.46Å; F37-M64 HydrophobicContact CD2-CE 3.48Å; F37-M64 VanDerWaalsContact CD2-CE 3.48Å; F37-M64 HydrophobicContact CD2-SD 3.81Å; F37-M64 HydrophobicContact CE2-CE 4.49Å; F37-M64 HydrophobicContact CG-CE 3.83Å; L60-M64 HydrophobicContact CD1-CG 4.15Å; L60-M64 HydrophobicContact CD1-SD 4.19Å; L60-M64 HydrophobicContact CG-CG 4.48Å; L60-M64 HydrophobicContact CG-SD 4.17Å; L60-M64 VanDerWaalsContact O-CG 3.28Å; L60-M64 WeakPolarHBondContact O-CG 3.43Å; L60-M64 PolarHBondContact O-N 3.3Å; Y61-M64 HydrophobicContact CD1-SD 4.33Å; Y61-M64 PolarHBondContact O-N 3.28Å; R62-M64 PolarHBondContact O-N 2.82Å; M64-R66 PolarHBondContact O-N 2.87Å
65H79.6Confident89.1Confident117 Ų11742.6 Ų42.654%0.54220%0.198SC..THydrogen-bonded Turntrans55.235.3-173.1-59-88.5000113.6Y61 R62 P67Y61-H65 PolarHBondContact O-N 2.79Å; R62-H65 PolarHBondContact O-N 3.46Å; R62-H65 VanDerWaalsContact O-N 3.16Å; H65-P67 VanDerWaalsContact C-CD 3.43Å; H65-P67 WeakPolarHBondContact O-CD 3.35Å
66R85.4Confident89.2Confident111 Ų11139.2 Ų39.242%0.41918%0.184SC..  trans-124.561.4178.2-68-176178-174-2.2112.3Y61 M64 E68 L69Y61-R66 CarbonylContact O-C 3.08Å; Y61-R66 PolarHBondContact O-N 2.98Å; M64-R66 PolarHBondContact O-N 2.87Å; R66-E68 VanDerWaalsContact C-OE2 3.22Å; R66-E68 WeakPolarHBondContact CA-OE2 3.36Å; R66-E68 PolarHBondContact O-N 3.5Å; R66-L69 HydrophobicContact CB-CD1 3.99Å; R66-L69 HydrophobicContact CB-CG 4.29Å; R66-L69 PolarHBondContact O-N 3.46Å
67P86.9Confident89.4Confident31 Ų3138.9 Ų38.920%0.20118%0.182CC..THydrogen-bonded Turntrans-63.9-19.2-176.929.3-35.9000113.5H65 L69 V70 R97 V98H65-P67 VanDerWaalsContact C-CD 3.43Å; H65-P67 WeakPolarHBondContact O-CD 3.35Å; P67-L69 PolarHBondContact O-N 2.91Å; P67-V70 VanDerWaalsContact O-CB 3.3Å; P67-V70 WeakPolarHBondContact O-CB 3.44Å; P67-V70 PolarHBondContact O-N 3.33Å; P67-V70 VanDerWaalsContact O-N 3.09Å; P67-R97 HydrophobicContact CB-CG 4.25Å; P67-V98 HydrophobicContact CB-CG2 4.07Å; P67-V98 HydrophobicContact CG-CG2 4.41Å
68E90Very high89.5Confident92 Ų9239.8 Ų39.843%0.4319%0.187SC..Hα-helixtrans-60.2-34.2177.6-53.370.7-148.500111.2R66 V70 T71 V98R66-E68 VanDerWaalsContact C-OE2 3.22Å; R66-E68 WeakPolarHBondContact CA-OE2 3.36Å; R66-E68 PolarHBondContact O-N 3.5Å; E68-V70 VanDerWaalsContact C-N 3.27Å; E68-V70 PolarHBondContact O-N 3.27Å; E68-T71 PolarHBondContact O-N 3.39Å; E68-T71 PolarHBondContact O-OG1 3.33Å; E68-V98 HydrophobicContact CG-CG1 4.22Å
69L91.8Very high89.7Confident38 Ų3847.1 Ų47.120%0.19922%0.218CC..Hα-helixtrans-69.1-26.7179-60.7179000112.7F37 Y61 R66 P67 T71 K72 L73F37-L69 HydrophobicContact CE2-CD1 3.73Å; F37-L69 HydrophobicContact CZ-CD1 4.27Å; Y61-L69 HydrophobicContact CD1-CB 4.07Å; Y61-L69 HydrophobicContact CD1-CD1 3.65Å; Y61-L69 HydrophobicContact CD2-CB 3.64Å; Y61-L69 HydrophobicContact CE1-CB 4.19Å; Y61-L69 HydrophobicContact CE1-CD1 3.51Å; Y61-L69 HydrophobicContact CE2-CB 3.75Å; Y61-L69 HydrophobicContact CG-CB 3.81Å; Y61-L69 HydrophobicContact CG-CD1 4.26Å; R66-L69 HydrophobicContact CB-CD1 3.99Å; R66-L69 HydrophobicContact CB-CG 4.29Å; R66-L69 PolarHBondContact O-N 3.46Å; P67-L69 PolarHBondContact O-N 2.91Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.12Å; L69-K72 HydrophobicContact CD2-CD 4.42Å; L69-K72 PolarHBondContact O-N 2.88Å; L69-L73 PolarHBondContact O-N 3.49Å; L69-L73 VanDerWaalsContact O-N 3.12Å
70V92.1Very high89.9Confident0 Ų048.4 Ų48.40%022%0.221CC..Hα-helixtrans-65-34.4174.8-175.80000110.8T58 Y61 P67 E68 L73 Y74 A94T58-V70 HydrophobicContact CG2-CG1 3.86Å; T58-V70 HydrophobicContact CG2-CG2 4.31Å; Y61-V70 HydrophobicContact CD2-CG2 4.37Å; P67-V70 VanDerWaalsContact O-CB 3.3Å; P67-V70 WeakPolarHBondContact O-CB 3.44Å; P67-V70 PolarHBondContact O-N 3.33Å; P67-V70 VanDerWaalsContact O-N 3.09Å; E68-V70 VanDerWaalsContact C-N 3.27Å; E68-V70 PolarHBondContact O-N 3.27Å; V70-L73 WeakPolarHBondContact O-CB 3.29Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-Y74 HydrophobicContact CG1-CD2 3.88Å; V70-Y74 HydrophobicContact CG1-CE2 3.8Å; V70-Y74 WeakPolarHBondContact O-CD2 3.45Å; V70-Y74 PolarHBondContact O-N 3.49Å; V70-A94 HydrophobicContact CG1-CB 4.01Å
71T92.9Very high90Very high12 Ų1251.2 Ų51.27%0.07424%0.238CC..Hα-helixtrans-64.1-47.3177.168.20000111.3E68 L69 L73 Y74 E75 A94 Y95 V98E68-T71 PolarHBondContact O-N 3.39Å; E68-T71 PolarHBondContact O-OG1 3.33Å; L69-T71 VanDerWaalsContact C-N 3.28Å; L69-T71 PolarHBondContact O-N 3.12Å; T71-L73 VanDerWaalsContact C-N 3.27Å; T71-L73 PolarHBondContact O-N 3.43Å; T71-Y74 PolarHBondContact O-N 3.38Å; T71-E75 WeakPolarHBondContact O-CB 3.38Å; T71-E75 VanDerWaalsContact O-CG 3.29Å; T71-E75 WeakPolarHBondContact O-CG 3.01Å; T71-E75 PolarHBondContact O-N 2.8Å; T71-A94 HydrophobicContact CG2-CB 4.12Å; T71-Y95 HydrophobicContact CG2-CD1 3.82Å; T71-Y95 HydrophobicContact CG2-CE1 4.2Å; T71-V98 HydrophobicContact CG2-CB 4.31Å; T71-V98 HydrophobicContact CG2-CG2 3.68Å
72K92.5Very high90Very high132 Ų13254.6 Ų54.657%0.57426%0.26SS*.Hα-helixtrans-60.4-38.2177.9-64.4-178.6179.9177.30111.9L69 E75 A76L69-K72 HydrophobicContact CD2-CD 4.42Å; L69-K72 PolarHBondContact O-N 2.88Å; K72-E75 PolarHBondContact O-N 3.16Å; K72-A76 PolarHBondContact O-N 3.41Å; K72-A76 VanDerWaalsContact O-N 3.1Å
73L93.3Very high90.4Very high5 Ų558.6 Ų58.63%0.02629%0.285CS..Hα-helixtrans-60.2-52.1178.3-176.668000111.8T44 P48 L54 L57 L69 V70 T71 A76 A77T44-L73 HydrophobicContact CG2-CD1 4.38Å; P48-L73 HydrophobicContact CG-CD1 4.4Å; L54-L73 HydrophobicContact CD2-CD1 3.66Å; L54-L73 HydrophobicContact CD2-CD2 3.85Å; L54-L73 HydrophobicContact CD2-CG 3.51Å; L57-L73 HydrophobicContact CB-CD2 3.64Å; L57-L73 HydrophobicContact CD1-CD1 3.7Å; L57-L73 HydrophobicContact CD1-CD2 4.2Å; L69-L73 PolarHBondContact O-N 3.49Å; L69-L73 VanDerWaalsContact O-N 3.12Å; V70-L73 WeakPolarHBondContact O-CB 3.29Å; V70-L73 PolarHBondContact O-N 3.33Å; T71-L73 VanDerWaalsContact C-N 3.27Å; T71-L73 PolarHBondContact O-N 3.43Å; L73-A76 PolarHBondContact O-N 3.36Å; L73-A77 PolarHBondContact O-N 3.25Å; L73-A77 VanDerWaalsContact O-N 3.17Å
74Y94.3Very high90.9Very high8 Ų857.6 Ų57.63%0.03128%0.283CS..Hα-helixtrans-75.3-26.8179.1-73.6-75.3000113.1L54 T58 V70 T71 A76 A77 V78 H90 A94L54-Y74 HydrophobicContact CB-CE1 4.33Å; L54-Y74 HydrophobicContact CD1-CE1 4.23Å; T58-Y74 WeakPolarHBondContact OG1-CE2 3.34Å; T58-Y74 PolarHBondContact OG1-OH 3.21Å; V70-Y74 HydrophobicContact CG1-CD2 3.88Å; V70-Y74 HydrophobicContact CG1-CE2 3.8Å; V70-Y74 WeakPolarHBondContact O-CD2 3.45Å; V70-Y74 PolarHBondContact O-N 3.49Å; T71-Y74 PolarHBondContact O-N 3.38Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.32Å; Y74-A77 PolarHBondContact O-N 3.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.32Å; Y74-V78 WeakPolarHBondContact O-CG2 3.49Å; Y74-V78 PolarHBondContact O-N 3.45Å; Y74-H90 HydrophobicContact CD1-CB 3.64Å; Y74-H90 HydrophobicContact CD2-CB 4.45Å; Y74-H90 HydrophobicContact CE1-CB 3.41Å; Y74-H90 VanDerWaalsContact CE1-CB 3.41Å; Y74-H90 AromaticContact CE1-CG 3.95Å; Y74-H90 HydrophobicContact CE2-CB 4.27Å; Y74-H90 HydrophobicContact CG-CB 4.17Å; Y74-A94 HydrophobicContact CD2-CB 4.29Å
75E94.3Very high91.4Very high44 Ų4459.5 Ų59.521%0.20629%0.292CS..Hα-helixtrans-59-42.5169.8-77.9176.9177.600110.9T71 K72 K79 L91 Y95 K103T71-E75 WeakPolarHBondContact O-CB 3.38Å; T71-E75 VanDerWaalsContact O-CG 3.29Å; T71-E75 WeakPolarHBondContact O-CG 3.01Å; T71-E75 PolarHBondContact O-N 2.8Å; K72-E75 PolarHBondContact O-N 3.16Å; E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.46Å; E75-K79 PolarHBondContact O-N 3.39Å; E75-K79 VanDerWaalsContact O-N 3.15Å; E75-L91 HydrophobicContact CG-CD1 3.82Å; E75-Y95 VanDerWaalsContact CD-OH 3.26Å; E75-Y95 WeakPolarHBondContact CG-OH 3.37Å; E75-Y95 WeakPolarHBondContact OE1-CE1 3.48Å; E75-Y95 PolarHBondContact OE1-OH 2.88Å; E75-K103 IonicContact OE1-NZ 2.79Å; E75-K103 PolarHBondContact OE1-NZ 2.8Å
76A93.1Very high92Very high16 Ų1660 Ų6013%0.13229%0.294CS..Hα-helixtrans-67.9-42.6176.100000112.2E47 K72 L73 Y74 K79 K80E47-A76 HydrophobicContact CG-CB 4.22Å; K72-A76 PolarHBondContact O-N 3.41Å; K72-A76 VanDerWaalsContact O-N 3.1Å; L73-A76 PolarHBondContact O-N 3.36Å; Y74-A76 VanDerWaalsContact C-N 3.3Å; Y74-A76 PolarHBondContact O-N 3.32Å; A76-K79 PolarHBondContact O-N 2.83Å; A76-K80 PolarHBondContact O-N 3.27Å
77A92.8Very high92.4Very high1 Ų156.2 Ų56.21%0.00828%0.28CS..Hα-helixtrans-62.1-44.9177.700000112.4L54 L73 Y74 K79 K80 V81 Y87L54-A77 HydrophobicContact CD1-CB 4.15Å; L54-A77 HydrophobicContact CD2-CB 4.47Å; L73-A77 PolarHBondContact O-N 3.25Å; L73-A77 VanDerWaalsContact O-N 3.17Å; Y74-A77 PolarHBondContact O-N 3.46Å; A77-K79 VanDerWaalsContact C-N 3.33Å; A77-K79 PolarHBondContact O-N 2.83Å; A77-K80 PolarHBondContact O-N 3.06Å; A77-V81 PolarHBondContact O-N 2.75Å; A77-Y87 HydrophobicContact CB-CD2 4.48Å; A77-Y87 HydrophobicContact CB-CG 4.49Å
78V94.3Very high92.7Very high18 Ų1855.5 Ų55.511%0.10927%0.274CS..Hα-helixtrans-64.5-36.5176.9168.30000111.7Y74 K80 V81 P82 H88 L91Y74-V78 WeakPolarHBondContact O-CB 3.32Å; Y74-V78 WeakPolarHBondContact O-CG2 3.49Å; Y74-V78 PolarHBondContact O-N 3.45Å; V78-K80 VanDerWaalsContact C-N 3.3Å; V78-K80 PolarHBondContact O-N 3.23Å; V78-V81 CarbonylContact O-C 3.6Å; V78-V81 VanDerWaalsContact O-C 3.31Å; V78-V81 PolarHBondContact O-N 2.91Å; V78-P82 WeakPolarHBondContact O-CA 3.45Å; V78-H88 WeakPolarHBondContact CG1-CE1 3.39Å; V78-L91 HydrophobicContact CB-CD2 4.23Å; V78-L91 HydrophobicContact CG1-CD2 4.44Å; V78-L91 HydrophobicContact CG2-CB 4.22Å; V78-L91 HydrophobicContact CG2-CD2 3.85Å
79K93.5Very high92.9Very high168 Ų16852.2 Ų52.273%0.7326%0.262SS*.Hα-helixtrans-61.8-37.2174.4-76.3172.3-173.8176.70112.5E75 A76 A77E75-K79 VanDerWaalsContact O-CG 3.27Å; E75-K79 WeakPolarHBondContact O-CG 3.46Å; E75-K79 PolarHBondContact O-N 3.39Å; E75-K79 VanDerWaalsContact O-N 3.15Å; A76-K79 PolarHBondContact O-N 2.83Å; A77-K79 VanDerWaalsContact C-N 3.33Å; A77-K79 PolarHBondContact O-N 2.83Å
80K92.7Very high92.9Very high99 Ų9953.5 Ų53.543%0.4327%0.266SS..Hα-helixtrans-77.8-36.2177.8-71.7-173.7177.9-1800113E47 T49 A76 A77 V78E47-K80 PolarHBondContact O-NZ 2.64Å; E47-K80 WeakPolarHBondContact OE2-CE 3.4Å; E47-K80 IonicContact OE2-NZ 3.17Å; E47-K80 PolarHBondContact OE2-NZ 3.36Å; T49-K80 HydrophobicContact CG2-CB 3.91Å; T49-K80 HydrophobicContact CG2-CD 3.58Å; T49-K80 HydrophobicContact CG2-CG 4.36Å; A76-K80 PolarHBondContact O-N 3.27Å; A77-K80 PolarHBondContact O-N 3.06Å; V78-K80 VanDerWaalsContact C-N 3.3Å; V78-K80 PolarHBondContact O-N 3.23Å
81V91.9Very high93Very high58 Ų5854 Ų5435%0.35227%0.269SS..SBendtrans-129.575.6-177-168.10000110.2T49 A77 V78 L83 S84 Y87T49-V81 HydrophobicContact CG2-CG2 4.49Å; A77-V81 PolarHBondContact O-N 2.75Å; V78-V81 CarbonylContact O-C 3.6Å; V78-V81 VanDerWaalsContact O-C 3.31Å; V78-V81 PolarHBondContact O-N 2.91Å; V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 PolarHBondContact O-N 3.47Å; V81-S84 PolarHBondContact O-N 3.19Å; V81-Y87 HydrophobicContact CB-CD2 3.93Å; V81-Y87 HydrophobicContact CB-CE2 3.81Å; V81-Y87 HydrophobicContact CG1-CD2 4.38Å; V81-Y87 HydrophobicContact CG1-CE2 4.16Å; V81-Y87 HydrophobicContact CG2-CE2 4.04Å
82P90.6Very high93.2Very high76 Ų7653.4 Ų53.449%0.49427%0.266SS..THydrogen-bonded Turntrans-72.8-15.8-167.627.1-36000115.4V78 H88 I114V78-P82 WeakPolarHBondContact O-CA 3.45Å; P82-H88 PolarHBondContact O-CD2 3.37Å; P82-H88 PolarHBondContact O-NE2 3Å; P82-I114 WeakPolarHBondContact O-CD1 3.48Å
83L91.9Very high93.2Very high143 Ų14347.5 Ų47.575%0.74924%0.24SC*.THydrogen-bonded Turntrans-95.91.5-179.1-62.7176.6000113.5V81 E85V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 PolarHBondContact O-N 3.47Å; L83-E85 PolarHBondContact O-N 3.3Å
84S92.6Very high93.1Very high22 Ų2247.3 Ų47.315%0.15424%0.239CC..  trans-77.7113.1-178.7176.90000111.7V81 E86 Y87 H88V81-S84 PolarHBondContact O-N 3.19Å; S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 PolarHBondContact O-N 2.89Å; S84-Y87 VanDerWaalsContact CB-CD2 3.46Å; S84-Y87 PolarHBondContact O-N 3.44Å; S84-Y87 WeakPolarHBondContact OG-CD2 3.39Å; S84-Y87 PolarHBondContact OG-N 2.89Å; S84-H88 PolarHBondContact O-CD2 3.07Å; S84-H88 VanDerWaalsContact O-CD2 3.27Å; S84-H88 PolarHBondContact O-N 2.84Å
85E93.4Very high93.1Very high59 Ų5947.8 Ų47.828%0.27624%0.241SC..Hα-helixtrans-56.6-42.8173.5-172.9-178.5175.900111.4L83 H88 S89 L111 V115 K117 Y120L83-E85 PolarHBondContact O-N 3.3Å; E85-H88 PolarHBondContact O-N 3.44Å; E85-S89 WeakPolarHBondContact O-CB 3.4Å; E85-S89 PolarHBondContact O-N 3.48Å; E85-L111 HydrophobicContact CB-CD1 4.48Å; E85-L111 HydrophobicContact CG-CD1 3.82Å; E85-V115 HydrophobicContact CB-CG2 4.13Å; E85-V115 HydrophobicContact CG-CG2 3.95Å; E85-K117 IonicContact OE1-NZ 2.73Å; E85-K117 PolarHBondContact OE1-NZ 3.47Å; E85-K117 IonicContact OE2-NZ 2.64Å; E85-Y120 HydrophobicContact CG-CE2 4.43Å; E85-Y120 WeakPolarHBondContact OE1-CE2 3.43Å; E85-Y120 PolarHBondContact OE1-OH 3.15Å
86E91.7Very high92.9Very high126 Ų12645.8 Ų45.859%0.58923%0.232SC*.Hα-helixtrans-62.8-46.9-178-65.9-177.6168.600112S84 S89 H90S84-E86 VanDerWaalsContact C-N 3.28Å; S84-E86 PolarHBondContact O-N 2.89Å; E86-S89 PolarHBondContact O-N 2.91Å; E86-H90 PolarHBondContact O-CD2 3.49Å; E86-H90 PolarHBondContact O-N 2.98Å
87Y93.3Very high92.6Very high32 Ų3246.5 Ų46.513%0.12523%0.231CC..Hα-helixtrans-68.6-37.3-179.2-61.8-28.2000112.7T49 L54 A77 V81 S84 H90 L91T49-Y87 PolarHBondContact O-OH 2.86Å; L54-Y87 HydrophobicContact CD1-CD1 4.42Å; L54-Y87 HydrophobicContact CD1-CE1 3.93Å; A77-Y87 HydrophobicContact CB-CD2 4.48Å; A77-Y87 HydrophobicContact CB-CG 4.49Å; V81-Y87 HydrophobicContact CB-CD2 3.93Å; V81-Y87 HydrophobicContact CB-CE2 3.81Å; V81-Y87 HydrophobicContact CG1-CD2 4.38Å; V81-Y87 HydrophobicContact CG1-CE2 4.16Å; V81-Y87 HydrophobicContact CG2-CE2 4.04Å; S84-Y87 VanDerWaalsContact CB-CD2 3.46Å; S84-Y87 PolarHBondContact O-N 3.44Å; S84-Y87 WeakPolarHBondContact OG-CD2 3.39Å; S84-Y87 PolarHBondContact OG-N 2.89Å; Y87-H90 PolarHBondContact O-N 3.41Å; Y87-L91 WeakPolarHBondContact O-CB 3.38Å; Y87-L91 PolarHBondContact O-N 3.16Å
88H93.9Very high92.4Very high16 Ų1648.3 Ų48.37%0.07424%0.242CC..Hα-helixtrans-65.6-40.2173.1-83.2-79.5000111.7V78 P82 S84 E85 L91 F92 L111 I114V78-H88 WeakPolarHBondContact CG1-CE1 3.39Å; P82-H88 PolarHBondContact O-CD2 3.37Å; P82-H88 PolarHBondContact O-NE2 3Å; S84-H88 PolarHBondContact O-CD2 3.07Å; S84-H88 VanDerWaalsContact O-CD2 3.27Å; S84-H88 PolarHBondContact O-N 2.84Å; E85-H88 PolarHBondContact O-N 3.44Å; H88-L91 PolarHBondContact O-N 3.06Å; H88-F92 WeakPolarHBondContact O-CB 3.45Å; H88-F92 PolarHBondContact O-N 3.34Å; H88-L111 HydrophobicContact CB-CB 4.24Å; H88-L111 HydrophobicContact CB-CD1 3.77Å; H88-L111 HydrophobicContact CB-CG 4.48Å; H88-I114 WeakPolarHBondContact CD2-CD1 3.28Å; H88-I114 VanDerWaalsContact NE2-CD1 3.29Å; H88-I114 WeakPolarHBondContact NE2-CD1 3.41Å
89S93.2Very high92.1Very high23 Ų2348.3 Ų48.316%0.16125%0.246CC..Hα-helixtrans-62.8-45.7173.3-175.60000111.4E85 E86 L91 F92 M93E85-S89 WeakPolarHBondContact O-CB 3.4Å; E85-S89 PolarHBondContact O-N 3.48Å; E86-S89 PolarHBondContact O-N 2.91Å; S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.31Å; S89-F92 PolarHBondContact O-N 3.06Å; S89-M93 VanDerWaalsContact O-CG 3.3Å; S89-M93 WeakPolarHBondContact O-CG 3.5Å; S89-M93 PolarHBondContact O-N 3.01Å
90H92.9Very high92.1Very high65 Ų6544.4 Ų44.430%0.30123%0.23SC..Hα-helixtrans-65.2-37.1177.3-75.4-60.5000112.5Y74 E86 Y87 M93 A94Y74-H90 HydrophobicContact CD1-CB 3.64Å; Y74-H90 HydrophobicContact CD2-CB 4.45Å; Y74-H90 HydrophobicContact CE1-CB 3.41Å; Y74-H90 VanDerWaalsContact CE1-CB 3.41Å; Y74-H90 AromaticContact CE1-CG 3.95Å; Y74-H90 HydrophobicContact CE2-CB 4.27Å; Y74-H90 HydrophobicContact CG-CB 4.17Å; E86-H90 PolarHBondContact O-CD2 3.49Å; E86-H90 PolarHBondContact O-N 2.98Å; Y87-H90 PolarHBondContact O-N 3.41Å; H90-M93 PolarHBondContact O-N 3.44Å; H90-A94 WeakPolarHBondContact O-CB 3.38Å; H90-A94 PolarHBondContact O-N 3.29Å
91L94.9Very high92.2Very high11 Ų1141 Ų416%0.05822%0.215CC..Hα-helixtrans-63.2-45.6174.1179.858.5000111.5E75 V78 Y87 H88 S89 M93 A94 Y95E75-L91 HydrophobicContact CG-CD1 3.82Å; V78-L91 HydrophobicContact CB-CD2 4.23Å; V78-L91 HydrophobicContact CG1-CD2 4.44Å; V78-L91 HydrophobicContact CG2-CB 4.22Å; V78-L91 HydrophobicContact CG2-CD2 3.85Å; Y87-L91 WeakPolarHBondContact O-CB 3.38Å; Y87-L91 PolarHBondContact O-N 3.16Å; H88-L91 PolarHBondContact O-N 3.06Å; S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.31Å; L91-M93 VanDerWaalsContact C-N 3.32Å; L91-M93 PolarHBondContact O-N 3.17Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 3.47Å; L91-Y95 HydrophobicContact CD1-CD2 4.2Å; L91-Y95 HydrophobicContact CD1-CE1 4.17Å; L91-Y95 HydrophobicContact CD1-CE2 3.59Å; L91-Y95 HydrophobicContact CD2-CE2 4.05Å; L91-Y95 HydrophobicContact CG-CD2 4.09Å; L91-Y95 HydrophobicContact CG-CE2 3.55Å; L91-Y95 WeakPolarHBondContact O-CD2 3.39Å; L91-Y95 PolarHBondContact O-N 2.9Å
92F95.1Very high92.3Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-56.2-46.8173.4-179.4-86.5000111.3H88 S89 A94 Y95 A96 M104 A107 W123 S127 Y558H88-F92 WeakPolarHBondContact O-CB 3.45Å; H88-F92 PolarHBondContact O-N 3.34Å; S89-F92 PolarHBondContact O-N 3.06Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A94 PolarHBondContact O-N 3.49Å; F92-Y95 PolarHBondContact O-N 2.84Å; F92-A96 PolarHBondContact O-N 3.41Å; F92-M104 HydrophobicContact CD2-CB 4.16Å; F92-M104 WeakPolarHBondContact CD2-O 3.46Å; F92-M104 HydrophobicContact CE1-CE 3.84Å; F92-M104 HydrophobicContact CE2-CB 3.77Å; F92-M104 HydrophobicContact CE2-CE 4.05Å; F92-M104 HydrophobicContact CE2-CG 4.48Å; F92-M104 WeakPolarHBondContact CE2-O 3.35Å; F92-M104 HydrophobicContact CZ-CB 4.34Å; F92-M104 HydrophobicContact CZ-CE 3.48Å; F92-M104 VanDerWaalsContact CZ-CE 3.48Å; F92-A107 HydrophobicContact CB-CB 4.4Å; F92-A107 HydrophobicContact CD2-CB 4.39Å; F92-W123 HydrophobicContact CD1-CD2 4.45Å; F92-W123 AromaticContact CD1-CE3 3.71Å; F92-W123 HydrophobicContact CD1-CE3 3.71Å; F92-W123 HydrophobicContact CD1-CZ3 4.09Å; F92-W123 HydrophobicContact CD2-CE3 4.49Å; F92-W123 HydrophobicContact CE1-CB 4.3Å; F92-W123 HydrophobicContact CE1-CD2 4.09Å; F92-W123 AromaticContact CE1-CE3 3.79Å; F92-W123 HydrophobicContact CE1-CE3 3.79Å; F92-W123 HydrophobicContact CE1-CG 4.32Å; F92-W123 HydrophobicContact CE2-CB 4.01Å; F92-W123 HydrophobicContact CG-CE3 4.09Å; F92-W123 HydrophobicContact CZ-CB 3.69Å; F92-W123 HydrophobicContact CZ-CD2 4.37Å; F92-W123 HydrophobicContact CZ-CE3 4.23Å; F92-W123 HydrophobicContact CZ-CG 4.19Å; F92-S127 WeakPolarHBondContact CE2-OG 3.27Å; F92-Y558 AromaticContact CE1-CD1 3.9Å; F92-Y558 HydrophobicContact CE1-CD1 3.9Å; F92-Y558 HydrophobicContact CE1-CD2 4.41Å; F92-Y558 HydrophobicContact CE1-CE1 4.19Å; F92-Y558 HydrophobicContact CE1-CG 4.03Å; F92-Y558 AromaticContact CZ-CD1 3.89Å; F92-Y558 HydrophobicContact CZ-CD1 3.89Å; F92-Y558 AromaticContact CZ-CE1 3.8Å; F92-Y558 HydrophobicContact CZ-CE1 3.8Å; F92-Y558 HydrophobicContact CZ-CG 4.46Å
93M92.6Very high92.5Very high8 Ų844.1 Ų44.14%0.03922%0.216CC..Hα-helixtrans-67.6-32.5178.5-61.8-50.3170.800112.9S89 H90 L91 A96 R97 W123 I555 K559S89-M93 VanDerWaalsContact O-CG 3.3Å; S89-M93 WeakPolarHBondContact O-CG 3.5Å; S89-M93 PolarHBondContact O-N 3.01Å; H90-M93 PolarHBondContact O-N 3.44Å; L91-M93 VanDerWaalsContact C-N 3.32Å; L91-M93 PolarHBondContact O-N 3.17Å; M93-A96 PolarHBondContact O-N 3.31Å; M93-R97 PolarHBondContact O-N 2.59Å; M93-W123 HydrophobicContact CE-CE3 4.31Å; M93-W123 HydrophobicContact CE-CH2 3.31Å; M93-W123 HydrophobicContact CE-CZ2 3.84Å; M93-W123 HydrophobicContact CE-CZ3 3.58Å; M93-I555 HydrophobicContact CB-CD1 4.15Å; M93-I555 HydrophobicContact CB-CG1 4.19Å; M93-I555 HydrophobicContact CB-CG2 4.33Å; M93-I555 HydrophobicContact CE-CG2 4.47Å; M93-I555 HydrophobicContact CG-CG2 3.97Å; M93-I555 HydrophobicContact SD-CB 4.12Å; M93-I555 HydrophobicContact SD-CG1 4.04Å; M93-I555 HydrophobicContact SD-CG2 3.54Å; M93-I555 VanDerWaalsContact SD-CG2 3.54Å; M93-K559 HydrophobicContact CE-CD 4.49Å; M93-K559 HydrophobicContact CE-CG 3.83Å
94A92.3Very high92.7Very high1 Ų137.3 Ų37.31%0.00818%0.181CC..Hα-helixtrans-63.7-44.3172.500000111V70 T71 Y74 H90 L91 F92 R97 V98V70-A94 HydrophobicContact CG1-CB 4.01Å; T71-A94 HydrophobicContact CG2-CB 4.12Å; Y74-A94 HydrophobicContact CD2-CB 4.29Å; H90-A94 WeakPolarHBondContact O-CB 3.38Å; H90-A94 PolarHBondContact O-N 3.29Å; L91-A94 WeakPolarHBondContact O-CB 3.41Å; L91-A94 PolarHBondContact O-N 3.47Å; F92-A94 VanDerWaalsContact C-N 3.34Å; F92-A94 PolarHBondContact O-N 3.49Å; A94-R97 WeakPolarHBondContact O-CB 3.42Å; A94-R97 PolarHBondContact O-N 2.96Å; A94-V98 PolarHBondContact O-N 3.09Å
95Y94.6Very high92.8Very high17 Ų1738.2 Ų38.27%0.06718%0.182CC..Hα-helixtrans-65.4-39174.2-66.3-43.6000112.8T71 E75 L91 F92 R97 V98 G99 E100 K103 M104 A107T71-Y95 HydrophobicContact CG2-CD1 3.82Å; T71-Y95 HydrophobicContact CG2-CE1 4.2Å; E75-Y95 VanDerWaalsContact CD-OH 3.26Å; E75-Y95 WeakPolarHBondContact CG-OH 3.37Å; E75-Y95 WeakPolarHBondContact OE1-CE1 3.48Å; E75-Y95 PolarHBondContact OE1-OH 2.88Å; L91-Y95 HydrophobicContact CD1-CD2 4.2Å; L91-Y95 HydrophobicContact CD1-CE1 4.17Å; L91-Y95 HydrophobicContact CD1-CE2 3.59Å; L91-Y95 HydrophobicContact CD2-CE2 4.05Å; L91-Y95 HydrophobicContact CG-CD2 4.09Å; L91-Y95 HydrophobicContact CG-CE2 3.55Å; L91-Y95 WeakPolarHBondContact O-CD2 3.39Å; L91-Y95 PolarHBondContact O-N 2.9Å; F92-Y95 PolarHBondContact O-N 2.84Å; Y95-R97 VanDerWaalsContact C-N 3.29Å; Y95-R97 PolarHBondContact O-N 3.48Å; Y95-V98 PolarHBondContact O-N 3.3Å; Y95-G99 PolarHBondContact O-N 2.93Å; Y95-E100 HydrophobicContact CD1-CB 3.94Å; Y95-E100 HydrophobicContact CD1-CG 4.47Å; Y95-E100 HydrophobicContact CG-CB 4.34Å; Y95-E100 PolarHBondContact O-N 3.41Å; Y95-K103 HydrophobicContact CD1-CB 3.91Å; Y95-K103 HydrophobicContact CD1-CD 3.93Å; Y95-K103 HydrophobicContact CD2-CB 3.74Å; Y95-K103 HydrophobicContact CE1-CB 3.84Å; Y95-K103 HydrophobicContact CE1-CD 3.3Å; Y95-K103 HydrophobicContact CE1-CG 4.25Å; Y95-K103 HydrophobicContact CE2-CB 3.64Å; Y95-K103 HydrophobicContact CE2-CD 4.37Å; Y95-K103 HydrophobicContact CG-CB 3.88Å; Y95-M104 VanDerWaalsContact CB-CG 3.4Å; Y95-A107 HydrophobicContact CD2-CB 4.16Å; Y95-A107 HydrophobicContact CE2-CB 4.17Å
96A90.7Very high92.9Very high2 Ų241 Ų412%0.01720%0.195CC..Hα-helixtrans-58.9-39.9174.800000112.5F92 M93 G99 M104 I555F92-A96 PolarHBondContact O-N 3.41Å; M93-A96 PolarHBondContact O-N 3.31Å; A96-G99 PolarHBondContact O-N 2.89Å; A96-M104 WeakPolarHBondContact CA-SD 3.25Å; A96-M104 HydrophobicContact CB-CE 3.55Å; A96-M104 HydrophobicContact CB-SD 4Å; A96-I555 HydrophobicContact CB-CG1 4.23Å
97R86.6Confident93.1Very high31 Ų3135.4 Ų35.412%0.11717%0.17CC..Hα-helixtrans-62.8-42.8178-168.9174.6-66.699.2-1.8112.3P67 M93 A94 Y95 E552 I555P67-R97 HydrophobicContact CB-CG 4.25Å; M93-R97 PolarHBondContact O-N 2.59Å; A94-R97 WeakPolarHBondContact O-CB 3.42Å; A94-R97 PolarHBondContact O-N 2.96Å; Y95-R97 VanDerWaalsContact C-N 3.29Å; Y95-R97 PolarHBondContact O-N 3.48Å; R97-E552 IonicContact CZ-OE1 3.78Å; R97-E552 VanDerWaalsContact CZ-OE1 3.32Å; R97-E552 IonicContact NE-OE1 2.78Å; R97-E552 PolarHBondContact NE-OE1 3.41Å; R97-E552 IonicContact NH2-OE1 3.85Å; R97-E552 PolarHBondContact NH2-OE1 2.83Å; R97-E552 IonicContact NH2-OE2 2.85Å; R97-I555 HydrophobicContact CB-CD1 4.34Å
98V87.9Confident93.2Very high39 Ų3933.9 Ų33.924%0.23617%0.165CC..Hα-helixtrans-83.2-20.5-178.4-177.50000112.2P67 E68 T71 A94 Y95 E100P67-V98 HydrophobicContact CB-CG2 4.07Å; P67-V98 HydrophobicContact CG-CG2 4.41Å; E68-V98 HydrophobicContact CG-CG1 4.22Å; T71-V98 HydrophobicContact CG2-CB 4.31Å; T71-V98 HydrophobicContact CG2-CG2 3.68Å; A94-V98 PolarHBondContact O-N 3.09Å; Y95-V98 PolarHBondContact O-N 3.3Å; V98-E100 HydrophobicContact CB-CG 4.35Å; V98-E100 HydrophobicContact CG1-CG 4.01Å
99G88.8Confident93.3Very high19 Ų1935.4 Ų35.420%0.19617%0.172CC..THydrogen-bonded Turntrans86.125-177.500000113.9Y95 A96 Y101Y95-G99 PolarHBondContact O-N 2.93Å; A96-G99 PolarHBondContact O-N 2.89Å; G99-Y101 VanDerWaalsContact C-N 3.26Å; G99-Y101 WeakPolarHBondContact O-CD2 3.5Å; G99-Y101 PolarHBondContact O-N 2.92Å
100E92.4Very high93.4Very high85 Ų8536 Ų3640%0.39718%0.178SC..  trans-82.364.1179.7-73.7-69.7167.200111.6Y95 V98 K102 K103 M104Y95-E100 HydrophobicContact CD1-CB 3.94Å; Y95-E100 HydrophobicContact CD1-CG 4.47Å; Y95-E100 HydrophobicContact CG-CB 4.34Å; Y95-E100 PolarHBondContact O-N 3.41Å; V98-E100 HydrophobicContact CB-CG 4.35Å; V98-E100 HydrophobicContact CG1-CG 4.01Å; E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 2.58Å; E100-K102 VanDerWaalsContact O-N 3.14Å; E100-K103 HydrophobicContact CB-CB 4.27Å; E100-K103 HydrophobicContact CB-CD 4.43Å; E100-K103 HydrophobicContact CB-CG 4.5Å; E100-K103 PolarHBondContact O-N 3.03Å; E100-M104 WeakPolarHBondContact O-CG 3.08Å; E100-M104 PolarHBondContact O-N 2.9Å
101Y93.9Very high93.5Very high27 Ų2732.9 Ų32.911%0.10616%0.164CC..Hα-helixtrans-59.2-32-166.8-53.5-58.9000114.7G99 M104 Q105 M130 Q131 S134G99-Y101 VanDerWaalsContact C-N 3.26Å; G99-Y101 WeakPolarHBondContact O-CD2 3.5Å; G99-Y101 PolarHBondContact O-N 2.92Å; Y101-M104 HydrophobicContact CD1-SD 3.63Å; Y101-M104 HydrophobicContact CE1-SD 4.31Å; Y101-M104 WeakPolarHBondContact O-CB 3.31Å; Y101-M104 PolarHBondContact O-N 3.18Å; Y101-Q105 PolarHBondContact O-N 3.39Å; Y101-Q105 VanDerWaalsContact O-N 3.08Å; Y101-M130 HydrophobicContact CD1-CB 3.42Å; Y101-M130 VanDerWaalsContact CD1-CB 3.42Å; Y101-M130 HydrophobicContact CD1-CG 4.16Å; Y101-M130 HydrophobicContact CD2-CB 4.2Å; Y101-M130 HydrophobicContact CE1-CB 3.72Å; Y101-M130 HydrophobicContact CE1-CE 3.97Å; Y101-M130 HydrophobicContact CE1-CG 4.13Å; Y101-M130 HydrophobicContact CE2-CB 4.44Å; Y101-M130 HydrophobicContact CG-CB 3.7Å; Y101-Q131 PolarHBondContact O-NE2 3.43Å; Y101-S134 WeakPolarHBondContact CD2-OG 3.44Å
102K94.1Very high93.5Very high130 Ų13034.3 Ų34.357%0.56517%0.169SC*.Hα-helixtrans-65.8-43.9174.8-176.4176.8178.9178.80112E100 M104 Q105 Q106 Q131E100-K102 VanDerWaalsContact C-N 3.28Å; E100-K102 PolarHBondContact O-N 2.58Å; E100-K102 VanDerWaalsContact O-N 3.14Å; K102-M104 VanDerWaalsContact C-N 3.33Å; K102-Q105 PolarHBondContact O-N 3.2Å; K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 2.91Å; K102-Q131 VanDerWaalsContact CA-CD 3.48Å
103K96Very high93.5Very high71 Ų7142.1 Ų42.131%0.30920%0.203SC..Hα-helixtrans-70-33.5176.8-63.4-170.2175.7-1740111.2E75 Y95 E100 Q106 A107E75-K103 IonicContact OE1-NZ 2.79Å; E75-K103 PolarHBondContact OE1-NZ 2.8Å; Y95-K103 HydrophobicContact CD1-CB 3.91Å; Y95-K103 HydrophobicContact CD1-CD 3.93Å; Y95-K103 HydrophobicContact CD2-CB 3.74Å; Y95-K103 HydrophobicContact CE1-CB 3.84Å; Y95-K103 HydrophobicContact CE1-CD 3.3Å; Y95-K103 HydrophobicContact CE1-CG 4.25Å; Y95-K103 HydrophobicContact CE2-CB 3.64Å; Y95-K103 HydrophobicContact CE2-CD 4.37Å; Y95-K103 HydrophobicContact CG-CB 3.88Å; E100-K103 HydrophobicContact CB-CB 4.27Å; E100-K103 HydrophobicContact CB-CD 4.43Å; E100-K103 HydrophobicContact CB-CG 4.5Å; E100-K103 PolarHBondContact O-N 3.03Å; K103-Q106 PolarHBondContact O-N 3.48Å; K103-A107 WeakPolarHBondContact O-CB 3.17Å; K103-A107 PolarHBondContact O-N 3.36Å
104M95Very high93.6Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-58.3-47.4171.9-65.5174.263.900112F92 Y95 A96 E100 Y101 K102 Q106 A107 G108 S127 Y558F92-M104 HydrophobicContact CD2-CB 4.16Å; F92-M104 WeakPolarHBondContact CD2-O 3.46Å; F92-M104 HydrophobicContact CE1-CE 3.84Å; F92-M104 HydrophobicContact CE2-CB 3.77Å; F92-M104 HydrophobicContact CE2-CE 4.05Å; F92-M104 HydrophobicContact CE2-CG 4.48Å; F92-M104 WeakPolarHBondContact CE2-O 3.35Å; F92-M104 HydrophobicContact CZ-CB 4.34Å; F92-M104 HydrophobicContact CZ-CE 3.48Å; F92-M104 VanDerWaalsContact CZ-CE 3.48Å; Y95-M104 VanDerWaalsContact CB-CG 3.4Å; A96-M104 WeakPolarHBondContact CA-SD 3.25Å; A96-M104 HydrophobicContact CB-CE 3.55Å; A96-M104 HydrophobicContact CB-SD 4Å; E100-M104 WeakPolarHBondContact O-CG 3.08Å; E100-M104 PolarHBondContact O-N 2.9Å; Y101-M104 HydrophobicContact CD1-SD 3.63Å; Y101-M104 HydrophobicContact CE1-SD 4.31Å; Y101-M104 WeakPolarHBondContact O-CB 3.31Å; Y101-M104 PolarHBondContact O-N 3.18Å; K102-M104 VanDerWaalsContact C-N 3.33Å; M104-Q106 VanDerWaalsContact C-N 3.3Å; M104-Q106 PolarHBondContact O-N 2.88Å; M104-A107 PolarHBondContact O-N 2.91Å; M104-G108 PolarHBondContact O-N 3.14Å; M104-S127 WeakPolarHBondContact CB-OG 3.41Å; M104-Y558 HydrophobicContact CE-CE1 4.2Å; M104-Y558 HydrophobicContact CE-CE2 3.76Å; M104-Y558 WeakPolarHBondContact CE-OH 3.44Å
105Q95.9Very high93.7Very high41 Ų4146 Ų4619%0.19222%0.224CC..Hα-helixtrans-57.5-44.1177-176.2-162.65.900111.7Y101 K102 M109Y101-Q105 PolarHBondContact O-N 3.39Å; Y101-Q105 VanDerWaalsContact O-N 3.08Å; K102-Q105 PolarHBondContact O-N 3.2Å; Q105-M109 WeakPolarHBondContact O-CB 3.5Å; Q105-M109 PolarHBondContact O-N 2.98Å; Q105-M109 VanDerWaalsContact O-N 3.09Å
106Q95.4Very high93.6Very high117 Ų11749.8 Ų49.855%0.54725%0.251SS..Hα-helixtrans-65.8-45.6179.2-67.2174.5-4.400111.8K102 K103 M104 M109 A110K102-Q106 WeakPolarHBondContact O-CG 3.27Å; K102-Q106 PolarHBondContact O-N 2.91Å; K103-Q106 PolarHBondContact O-N 3.48Å; M104-Q106 VanDerWaalsContact C-N 3.3Å; M104-Q106 PolarHBondContact O-N 2.88Å; Q106-M109 PolarHBondContact O-N 3.36Å; Q106-A110 WeakPolarHBondContact O-CB 3.33Å; Q106-A110 PolarHBondContact O-N 2.63Å
107A95.3Very high93.7Very high8 Ų854.1 Ų54.17%0.06627%0.27CS..Hα-helixtrans-64.2-42.9178.100000111.9F92 Y95 K103 M104 M109 A110 L111F92-A107 HydrophobicContact CB-CB 4.4Å; F92-A107 HydrophobicContact CD2-CB 4.39Å; Y95-A107 HydrophobicContact CD2-CB 4.16Å; Y95-A107 HydrophobicContact CE2-CB 4.17Å; K103-A107 WeakPolarHBondContact O-CB 3.17Å; K103-A107 PolarHBondContact O-N 3.36Å; M104-A107 PolarHBondContact O-N 2.91Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.19Å; A107-A110 PolarHBondContact O-N 3.43Å; A107-L111 WeakPolarHBondContact O-CB 3.36Å; A107-L111 PolarHBondContact O-N 3.22Å
108G95.6Very high93.9Very high0 Ų053.4 Ų53.40%027%0.268CS..Hα-helixtrans-62.1-41.4176.800000112.3M104 L111 Y112 S124M104-G108 PolarHBondContact O-N 3.14Å; G108-L111 PolarHBondContact O-N 3.29Å; G108-Y112 PolarHBondContact O-N 3.26Å; G108-S124 WeakPolarHBondContact CA-OG 3.28Å
109M95.7Very high94.2Very high48 Ų4854.8 Ų54.824%0.23628%0.278CS..Hα-helixtrans-71.7-34.9178.1-171.655.856.600112.1Q105 Q106 A107 Y112 K113 Y121 S124 M152Q105-M109 WeakPolarHBondContact O-CB 3.5Å; Q105-M109 PolarHBondContact O-N 2.98Å; Q105-M109 VanDerWaalsContact O-N 3.09Å; Q106-M109 PolarHBondContact O-N 3.36Å; A107-M109 VanDerWaalsContact C-N 3.35Å; A107-M109 PolarHBondContact O-N 3.19Å; M109-Y112 HydrophobicContact SD-CD1 4.25Å; M109-K113 VanDerWaalsContact O-CG 3.31Å; M109-K113 WeakPolarHBondContact O-CG 3.22Å; M109-K113 PolarHBondContact O-N 3.41Å; M109-K113 VanDerWaalsContact O-N 3.09Å; M109-Y121 HydrophobicContact CE-CD2 4.08Å; M109-Y121 HydrophobicContact CE-CE2 4.05Å; M109-S124 PolarHBondContact N-OG 3.02Å; M109-M152 HydrophobicContact CE-CE 3.56Å
110A95.2Very high94.5Very high35 Ų3555.1 Ų55.129%0.28927%0.273SS..Hα-helixtrans-63.3-45.3171.600000111Q106 A107 Y112 K113 I114Q106-A110 WeakPolarHBondContact O-CB 3.33Å; Q106-A110 PolarHBondContact O-N 2.63Å; A107-A110 PolarHBondContact O-N 3.43Å; A110-Y112 PolarHBondContact O-N 3.39Å; A110-K113 WeakPolarHBondContact O-CB 3.47Å; A110-K113 PolarHBondContact O-N 3.18Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.05Å; A110-I114 VanDerWaalsContact O-N 3.14Å
111L94.8Very high94.6Very high0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-60-45.2176.3-178.160.4000111.8E85 H88 A107 G108 K113 I114 V115 Y120 W123E85-L111 HydrophobicContact CB-CD1 4.48Å; E85-L111 HydrophobicContact CG-CD1 3.82Å; H88-L111 HydrophobicContact CB-CB 4.24Å; H88-L111 HydrophobicContact CB-CD1 3.77Å; H88-L111 HydrophobicContact CB-CG 4.48Å; A107-L111 WeakPolarHBondContact O-CB 3.36Å; A107-L111 PolarHBondContact O-N 3.22Å; G108-L111 PolarHBondContact O-N 3.29Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.06Å; L111-I114 PolarHBondContact O-N 3.18Å; L111-V115 PolarHBondContact O-N 3.23Å; L111-Y120 HydrophobicContact CD1-CD2 4.29Å; L111-Y120 HydrophobicContact CD1-CE2 4.13Å; L111-Y120 HydrophobicContact CD2-CD1 3.52Å; L111-Y120 HydrophobicContact CD2-CD2 3.93Å; L111-Y120 HydrophobicContact CD2-CE1 3.71Å; L111-Y120 HydrophobicContact CD2-CE2 4.07Å; L111-Y120 HydrophobicContact CD2-CG 3.66Å; L111-Y120 HydrophobicContact CG-CD1 4.14Å; L111-Y120 HydrophobicContact CG-CD2 3.6Å; L111-Y120 HydrophobicContact CG-CE1 4.41Å; L111-Y120 HydrophobicContact CG-CE2 3.88Å; L111-Y120 HydrophobicContact CG-CG 3.75Å; L111-W123 HydrophobicContact CD2-CE3 4.36Å; L111-W123 HydrophobicContact CD2-CZ3 4.07Å
112Y95.8Very high94.8Very high41 Ų4150.5 Ų50.516%0.16125%0.252CS..Hα-helixtrans-62.2-35.3175.9-178.1-108.8000113.1G108 M109 A110 I114 V115 P116 K117 Y121G108-Y112 PolarHBondContact O-N 3.26Å; M109-Y112 HydrophobicContact SD-CD1 4.25Å; A110-Y112 PolarHBondContact O-N 3.39Å; Y112-I114 VanDerWaalsContact C-N 3.34Å; Y112-V115 WeakPolarHBondContact CA-O 3.45Å; Y112-V115 CarbonylContact O-C 3.56Å; Y112-V115 VanDerWaalsContact O-C 3.24Å; Y112-P116 HydrophobicContact CE2-CB 4.12Å; Y112-P116 VanDerWaalsContact O-CA 3.27Å; Y112-P116 WeakPolarHBondContact O-CA 3.43Å; Y112-K117 WeakPolarHBondContact CD2-O 3.3Å; Y112-Y121 AromaticContact CD1-CD2 3.94Å; Y112-Y121 HydrophobicContact CD1-CD2 3.94Å; Y112-Y121 AromaticContact CE1-CD2 3.82Å; Y112-Y121 HydrophobicContact CE1-CD2 3.82Å; Y112-Y121 HydrophobicContact CG-CD2 4.36Å
113K95.4Very high94.9Very high165 Ų16544.9 Ų44.972%0.71723%0.227SC*.Hα-helixtrans-68.7-32.3175.5-74.9173.9-178.5-179.10112.9M109 A110 L111M109-K113 VanDerWaalsContact O-CG 3.31Å; M109-K113 WeakPolarHBondContact O-CG 3.22Å; M109-K113 PolarHBondContact O-N 3.41Å; M109-K113 VanDerWaalsContact O-N 3.09Å; A110-K113 WeakPolarHBondContact O-CB 3.47Å; A110-K113 PolarHBondContact O-N 3.18Å; L111-K113 VanDerWaalsContact C-N 3.31Å; L111-K113 PolarHBondContact O-N 3.06Å
114I94.2Very high94.9Very high56 Ų5641.5 Ų41.529%0.28721%0.213SC..Hα-helixtrans-76.1-48.8177-61.6164.4000109.5P82 H88 A110 L111 Y112P82-I114 WeakPolarHBondContact O-CD1 3.48Å; H88-I114 WeakPolarHBondContact CD2-CD1 3.28Å; H88-I114 VanDerWaalsContact NE2-CD1 3.29Å; H88-I114 WeakPolarHBondContact NE2-CD1 3.41Å; A110-I114 WeakPolarHBondContact O-CG1 3.35Å; A110-I114 PolarHBondContact O-N 3.05Å; A110-I114 VanDerWaalsContact O-N 3.14Å; L111-I114 PolarHBondContact O-N 3.18Å; Y112-I114 VanDerWaalsContact C-N 3.34Å
115V93.9Very high95.1Very high34 Ų3441.5 Ų41.521%0.20621%0.213CC..SBendtrans-131.9106.2-179.2-167.90000109E85 L111 Y112 K117 Y120E85-V115 HydrophobicContact CB-CG2 4.13Å; E85-V115 HydrophobicContact CG-CG2 3.95Å; L111-V115 PolarHBondContact O-N 3.23Å; Y112-V115 WeakPolarHBondContact CA-O 3.45Å; Y112-V115 CarbonylContact O-C 3.56Å; Y112-V115 VanDerWaalsContact O-C 3.24Å; V115-K117 HydrophobicContact CG1-CD 4.04Å; V115-K117 HydrophobicContact CG1-CG 3.99Å; V115-K117 PolarHBondContact O-N 3.43Å; V115-Y120 HydrophobicContact CB-CE2 4.42Å
116P92.1Very high95.1Very high96 Ų9639.6 Ų39.662%0.62320%0.204SC*.  trans-78.961.7-171.532.7-36.8000112.8Y112Y112-P116 HydrophobicContact CE2-CB 4.12Å; Y112-P116 VanDerWaalsContact O-CA 3.27Å; Y112-P116 WeakPolarHBondContact O-CA 3.43Å
117K93.2Very high95.1Very high94 Ų9434 Ų3441%0.40918%0.178SC..  trans-89.6132.3172.3-69.8173.1-173.9165.70110.2E85 Y112 V115 P119 Y120E85-K117 IonicContact OE1-NZ 2.73Å; E85-K117 PolarHBondContact OE1-NZ 3.47Å; E85-K117 IonicContact OE2-NZ 2.64Å; Y112-K117 WeakPolarHBondContact CD2-O 3.3Å; V115-K117 HydrophobicContact CG1-CD 4.04Å; V115-K117 HydrophobicContact CG1-CG 3.99Å; V115-K117 PolarHBondContact O-N 3.43Å; K117-P119 VanDerWaalsContact C-CD 3.5Å; K117-Y120 HydrophobicContact CB-CD2 3.82Å; K117-Y120 HydrophobicContact CB-CE2 3.98Å; K117-Y120 HydrophobicContact CB-CG 4.44Å; K117-Y120 HydrophobicContact CD-CD2 4.38Å; K117-Y120 HydrophobicContact CD-CE2 3.67Å; K117-Y120 HydrophobicContact CG-CE2 4.26Å; K117-Y120 PolarHBondContact O-N 3.48Å; K117-Y120 VanDerWaalsContact O-N 3.09Å
118N91.6Very high95.2Very high15 Ų1533.7 Ų33.78%0.0818%0.175CC..Hα-helixtrans-51.6-43.5-179.3-72.5-9.7000114.1Y120 Y121 F122 K161 E163N118-Y120 VanDerWaalsContact C-N 3.26Å; N118-Y120 PolarHBondContact O-N 3.08Å; N118-Y120 VanDerWaalsContact O-N 3.14Å; N118-Y121 WeakPolarHBondContact O-CB 3.3Å; N118-Y121 PolarHBondContact O-N 2.85Å; N118-F122 WeakPolarHBondContact O-CD2 3.41Å; N118-F122 PolarHBondContact O-N 2.92Å; N118-F122 VanDerWaalsContact O-N 3.14Å; N118-K161 PolarHBondContact ND2-O 3.01Å; N118-E163 PolarHBondContact ND2-OE1 2.9Å; N118-E163 PolarHBondContact ND2-OE2 3.42Å
119P93.4Very high95.2Very high68 Ų6833.7 Ų33.744%0.44218%0.175SC..Hα-helixtrans-53.2-38.4177.6-30.536.4000114.4K117 Y121 F122 W123K117-P119 VanDerWaalsContact C-CD 3.5Å; P119-Y121 VanDerWaalsContact C-N 3.33Å; P119-Y121 PolarHBondContact O-N 2.66Å; P119-F122 PolarHBondContact O-N 3.04Å; P119-W123 PolarHBondContact O-N 3.4Å
120Y95.1Very high95.2Very high27 Ų2731.4 Ų31.411%0.10616%0.164CC..Hα-helixtrans-69.5-31.6-179.9-57.5-29.5000112.8E85 L111 V115 K117 N118 W123 S124E85-Y120 HydrophobicContact CG-CE2 4.43Å; E85-Y120 WeakPolarHBondContact OE1-CE2 3.43Å; E85-Y120 PolarHBondContact OE1-OH 3.15Å; L111-Y120 HydrophobicContact CD1-CD2 4.29Å; L111-Y120 HydrophobicContact CD1-CE2 4.13Å; L111-Y120 HydrophobicContact CD2-CD1 3.52Å; L111-Y120 HydrophobicContact CD2-CD2 3.93Å; L111-Y120 HydrophobicContact CD2-CE1 3.71Å; L111-Y120 HydrophobicContact CD2-CE2 4.07Å; L111-Y120 HydrophobicContact CD2-CG 3.66Å; L111-Y120 HydrophobicContact CG-CD1 4.14Å; L111-Y120 HydrophobicContact CG-CD2 3.6Å; L111-Y120 HydrophobicContact CG-CE1 4.41Å; L111-Y120 HydrophobicContact CG-CE2 3.88Å; L111-Y120 HydrophobicContact CG-CG 3.75Å; V115-Y120 HydrophobicContact CB-CE2 4.42Å; K117-Y120 HydrophobicContact CB-CD2 3.82Å; K117-Y120 HydrophobicContact CB-CE2 3.98Å; K117-Y120 HydrophobicContact CB-CG 4.44Å; K117-Y120 HydrophobicContact CD-CD2 4.38Å; K117-Y120 HydrophobicContact CD-CE2 3.67Å; K117-Y120 HydrophobicContact CG-CE2 4.26Å; K117-Y120 PolarHBondContact O-N 3.48Å; K117-Y120 VanDerWaalsContact O-N 3.09Å; N118-Y120 VanDerWaalsContact C-N 3.26Å; N118-Y120 PolarHBondContact O-N 3.08Å; N118-Y120 VanDerWaalsContact O-N 3.14Å; Y120-W123 HydrophobicContact CD1-CD2 4.1Å; Y120-W123 AromaticContact CD1-CE3 3.77Å; Y120-W123 HydrophobicContact CD1-CE3 3.77Å; Y120-W123 HydrophobicContact CD1-CH2 4Å; Y120-W123 HydrophobicContact CD1-CZ2 4.33Å; Y120-W123 AromaticContact CD1-CZ3 3.72Å; Y120-W123 HydrophobicContact CD1-CZ3 3.72Å; Y120-W123 HydrophobicContact CE1-CE3 4.27Å; Y120-W123 AromaticContact CE1-CH2 3.68Å; Y120-W123 HydrophobicContact CE1-CH2 3.68Å; Y120-W123 HydrophobicContact CE1-CZ2 4.2Å; Y120-W123 AromaticContact CE1-CZ3 3.73Å; Y120-W123 HydrophobicContact CE1-CZ3 3.73Å; Y120-S124 PolarHBondContact O-N 2.86Å; Y120-S124 PolarHBondContact O-OG 3.45Å; Y120-S124 VanDerWaalsContact O-OG 3.04Å
121Y96.1Very high95.1Very high13 Ų1330.5 Ų30.55%0.05115%0.153CC..Hα-helixtrans-64.6-48.9171.4-172.3-95.9000110.6M109 Y112 N118 P119 W123 S124 V125 M152 M156M109-Y121 HydrophobicContact CE-CD2 4.08Å; M109-Y121 HydrophobicContact CE-CE2 4.05Å; Y112-Y121 AromaticContact CD1-CD2 3.94Å; Y112-Y121 HydrophobicContact CD1-CD2 3.94Å; Y112-Y121 AromaticContact CE1-CD2 3.82Å; Y112-Y121 HydrophobicContact CE1-CD2 3.82Å; Y112-Y121 HydrophobicContact CG-CD2 4.36Å; N118-Y121 WeakPolarHBondContact O-CB 3.3Å; N118-Y121 PolarHBondContact O-N 2.85Å; P119-Y121 VanDerWaalsContact C-N 3.33Å; P119-Y121 PolarHBondContact O-N 2.66Å; Y121-W123 VanDerWaalsContact C-N 3.35Å; Y121-W123 PolarHBondContact O-N 2.83Å; Y121-S124 WeakPolarHBondContact O-CA 3.39Å; Y121-S124 WeakPolarHBondContact O-CB 3.14Å; Y121-S124 PolarHBondContact O-N 3.31Å; Y121-V125 HydrophobicContact CD1-CG2 4.1Å; Y121-V125 HydrophobicContact CE1-CG2 3.93Å; Y121-V125 PolarHBondContact O-N 3.41Å; Y121-V125 VanDerWaalsContact O-N 3.09Å; Y121-M152 HydrophobicContact CD2-CE 4.5Å; Y121-M152 HydrophobicContact CE1-CB 4.22Å; Y121-M152 HydrophobicContact CE1-CE 4.26Å; Y121-M152 WeakPolarHBondContact CE1-O 3.28Å; Y121-M152 HydrophobicContact CE2-CE 3.87Å; Y121-M152 VanDerWaalsContact OH-CA 3.3Å; Y121-M152 WeakPolarHBondContact OH-CA 3.31Å; Y121-M152 WeakPolarHBondContact OH-CB 3.48Å; Y121-M152 PolarHBondContact OH-O 2.79Å; Y121-M156 HydrophobicContact CD1-CE 3.74Å; Y121-M156 HydrophobicContact CD1-CG 3.87Å; Y121-M156 HydrophobicContact CD2-CE 3.63Å; Y121-M156 HydrophobicContact CE1-CE 3.55Å; Y121-M156 HydrophobicContact CE1-CG 3.49Å; Y121-M156 VanDerWaalsContact CE1-CG 3.49Å; Y121-M156 HydrophobicContact CE1-SD 4.36Å; Y121-M156 HydrophobicContact CE2-CE 3.44Å; Y121-M156 VanDerWaalsContact CE2-CE 3.44Å; Y121-M156 HydrophobicContact CG-CE 3.76Å
122F96.6Very high95.1Very high1 Ų130.9 Ų30.90%0.00416%0.157CC..Hα-helixtrans-72-24.6-179.7-71.8-76.9000113.8N118 P119 S124 V125 M126 V153 M156 I162 E167 L170 F563N118-F122 WeakPolarHBondContact O-CD2 3.41Å; N118-F122 PolarHBondContact O-N 2.92Å; N118-F122 VanDerWaalsContact O-N 3.14Å; P119-F122 PolarHBondContact O-N 3.04Å; F122-S124 VanDerWaalsContact C-N 3.25Å; F122-S124 PolarHBondContact O-N 3.09Å; F122-V125 HydrophobicContact CD1-CB 4.48Å; F122-V125 HydrophobicContact CD1-CG2 4.35Å; F122-V125 PolarHBondContact O-N 3.07Å; F122-M126 WeakPolarHBondContact O-CB 3.4Å; F122-M126 PolarHBondContact O-N 3.49Å; F122-V153 HydrophobicContact CE1-CG1 4.33Å; F122-V153 HydrophobicContact CE1-CG2 4.07Å; F122-M156 HydrophobicContact CZ-CB 4.07Å; F122-M156 HydrophobicContact CZ-CG 4.14Å; F122-I162 HydrophobicContact CE1-CD1 4.22Å; F122-I162 HydrophobicContact CE2-CD1 4.49Å; F122-I162 HydrophobicContact CZ-CD1 3.57Å; F122-E167 HydrophobicContact CD1-CB 4.4Å; F122-E167 HydrophobicContact CD1-CG 4.21Å; F122-E167 HydrophobicContact CD2-CG 3.62Å; F122-E167 WeakPolarHBondContact CD2-OE1 3.19Å; F122-E167 HydrophobicContact CE1-CB 4.03Å; F122-E167 HydrophobicContact CE1-CG 4.15Å; F122-E167 HydrophobicContact CE2-CB 4.2Å; F122-E167 HydrophobicContact CE2-CG 3.59Å; F122-E167 VanDerWaalsContact CE2-OE1 3.27Å; F122-E167 WeakPolarHBondContact CE2-OE1 3.45Å; F122-E167 HydrophobicContact CG-CG 3.96Å; F122-E167 HydrophobicContact CZ-CB 3.95Å; F122-E167 HydrophobicContact CZ-CG 3.87Å; F122-L170 HydrophobicContact CB-CD2 4.23Å; F122-L170 HydrophobicContact CD1-CD2 3.89Å; F122-F563 HydrophobicContact CB-CE2 3.91Å; F122-F563 HydrophobicContact CB-CZ 3.89Å
123W96.8Very high94.9Very high13 Ų1332 Ų325%0.04916%0.164CC..Hα-helixtrans-59.5-39.4165.7-72.37.7000111.6F92 M93 L111 P119 Y120 Y121 S127 Y558 K559 F563F92-W123 HydrophobicContact CD1-CD2 4.45Å; F92-W123 AromaticContact CD1-CE3 3.71Å; F92-W123 HydrophobicContact CD1-CE3 3.71Å; F92-W123 HydrophobicContact CD1-CZ3 4.09Å; F92-W123 HydrophobicContact CD2-CE3 4.49Å; F92-W123 HydrophobicContact CE1-CB 4.3Å; F92-W123 HydrophobicContact CE1-CD2 4.09Å; F92-W123 AromaticContact CE1-CE3 3.79Å; F92-W123 HydrophobicContact CE1-CE3 3.79Å; F92-W123 HydrophobicContact CE1-CG 4.32Å; F92-W123 HydrophobicContact CE2-CB 4.01Å; F92-W123 HydrophobicContact CG-CE3 4.09Å; F92-W123 HydrophobicContact CZ-CB 3.69Å; F92-W123 HydrophobicContact CZ-CD2 4.37Å; F92-W123 HydrophobicContact CZ-CE3 4.23Å; F92-W123 HydrophobicContact CZ-CG 4.19Å; M93-W123 HydrophobicContact CE-CE3 4.31Å; M93-W123 HydrophobicContact CE-CH2 3.31Å; M93-W123 HydrophobicContact CE-CZ2 3.84Å; M93-W123 HydrophobicContact CE-CZ3 3.58Å; L111-W123 HydrophobicContact CD2-CE3 4.36Å; L111-W123 HydrophobicContact CD2-CZ3 4.07Å; P119-W123 PolarHBondContact O-N 3.4Å; Y120-W123 HydrophobicContact CD1-CD2 4.1Å; Y120-W123 AromaticContact CD1-CE3 3.77Å; Y120-W123 HydrophobicContact CD1-CE3 3.77Å; Y120-W123 HydrophobicContact CD1-CH2 4Å; Y120-W123 HydrophobicContact CD1-CZ2 4.33Å; Y120-W123 AromaticContact CD1-CZ3 3.72Å; Y120-W123 HydrophobicContact CD1-CZ3 3.72Å; Y120-W123 HydrophobicContact CE1-CE3 4.27Å; Y120-W123 AromaticContact CE1-CH2 3.68Å; Y120-W123 HydrophobicContact CE1-CH2 3.68Å; Y120-W123 HydrophobicContact CE1-CZ2 4.2Å; Y120-W123 AromaticContact CE1-CZ3 3.73Å; Y120-W123 HydrophobicContact CE1-CZ3 3.73Å; Y121-W123 VanDerWaalsContact C-N 3.35Å; Y121-W123 PolarHBondContact O-N 2.83Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 3.22Å; W123-S127 PolarHBondContact O-OG 2.94Å; W123-Y558 HydrophobicContact CB-CD1 4.31Å; W123-Y558 AromaticContact CD1-CD1 3.89Å; W123-Y558 HydrophobicContact CG-CD1 4.03Å; W123-Y558 PolarHBondContact NE1-O 2.92Å; W123-K559 HydrophobicContact CZ2-CG 4.38Å; W123-F563 AromaticContact CD1-CE1 3.96Å
124S96.7Very high94.5Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-68.3-42.4176.6-510000111.6G108 M109 Y120 Y121 F122 S127 L128G108-S124 WeakPolarHBondContact CA-OG 3.28Å; M109-S124 PolarHBondContact N-OG 3.02Å; Y120-S124 PolarHBondContact O-N 2.86Å; Y120-S124 PolarHBondContact O-OG 3.45Å; Y120-S124 VanDerWaalsContact O-OG 3.04Å; Y121-S124 WeakPolarHBondContact O-CA 3.39Å; Y121-S124 WeakPolarHBondContact O-CB 3.14Å; Y121-S124 PolarHBondContact O-N 3.31Å; F122-S124 VanDerWaalsContact C-N 3.25Å; F122-S124 PolarHBondContact O-N 3.09Å; S124-S127 WeakPolarHBondContact O-CB 3.39Å; S124-S127 PolarHBondContact O-N 3.29Å; S124-L128 PolarHBondContact O-N 2.93Å; S124-L128 VanDerWaalsContact O-N 3.07Å
125V97.5Very high94.2Very high0 Ų025.9 Ų25.90%015%0.15CC..Hα-helixtrans-61.1-49.3174.7177.20000110.5Y121 F122 S127 L128 V129 A149 M152 V153 L170 I174Y121-V125 HydrophobicContact CD1-CG2 4.1Å; Y121-V125 HydrophobicContact CE1-CG2 3.93Å; Y121-V125 PolarHBondContact O-N 3.41Å; Y121-V125 VanDerWaalsContact O-N 3.09Å; F122-V125 HydrophobicContact CD1-CB 4.48Å; F122-V125 HydrophobicContact CD1-CG2 4.35Å; F122-V125 PolarHBondContact O-N 3.07Å; V125-S127 VanDerWaalsContact C-N 3.3Å; V125-S127 PolarHBondContact O-N 2.74Å; V125-L128 WeakPolarHBondContact O-CA 3.42Å; V125-L128 VanDerWaalsContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CB 3.34Å; V125-L128 PolarHBondContact O-N 3.04Å; V125-V129 PolarHBondContact O-N 2.9Å; V125-A149 HydrophobicContact CG1-CB 4.2Å; V125-M152 HydrophobicContact CG2-CB 3.98Å; V125-M152 HydrophobicContact CG2-CE 3.84Å; V125-M152 HydrophobicContact CG2-SD 4.42Å; V125-V153 HydrophobicContact CG1-CG2 3.64Å; V125-V153 HydrophobicContact CG2-CG2 4.27Å; V125-L170 HydrophobicContact CB-CD2 4.16Å; V125-L170 HydrophobicContact CG1-CD1 4.49Å; V125-L170 HydrophobicContact CG1-CD2 3.9Å; V125-L170 HydrophobicContact CG1-CG 4.19Å; V125-I174 HydrophobicContact CG1-CD1 3.64Å
126M97Very high93.6Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-62.7-37.9178.5-176.566.8-142.900111.8F122 L128 V129 M130 L170 M173 Y558 F563 I566 P567F122-M126 WeakPolarHBondContact O-CB 3.4Å; F122-M126 PolarHBondContact O-N 3.49Å; M126-L128 PolarHBondContact O-N 3.11Å; M126-V129 HydrophobicContact CE-CB 4.36Å; M126-V129 HydrophobicContact CE-CG1 4.24Å; M126-V129 WeakPolarHBondContact O-CB 3.38Å; M126-V129 PolarHBondContact O-N 3.25Å; M126-V129 HydrophobicContact SD-CB 4.5Å; M126-M130 HydrophobicContact CE-CG 3.75Å; M126-M130 HydrophobicContact CE-SD 3.47Å; M126-M130 WeakPolarHBondContact CE-SD 3.27Å; M126-M130 WeakPolarHBondContact O-CG 3.31Å; M126-M130 PolarHBondContact O-N 3.47Å; M126-L170 HydrophobicContact CB-CD2 4.22Å; M126-L170 HydrophobicContact SD-CD1 3.73Å; M126-M173 HydrophobicContact CE-CE 3.92Å; M126-M173 HydrophobicContact SD-CE 3.6Å; M126-M173 VanDerWaalsContact SD-CE 3.6Å; M126-Y558 HydrophobicContact CB-CE1 3.8Å; M126-Y558 HydrophobicContact CG-CD1 4.49Å; M126-Y558 HydrophobicContact CG-CE1 3.62Å; M126-F563 HydrophobicContact CB-CD1 3.85Å; M126-F563 HydrophobicContact CB-CE1 4.1Å; M126-F563 HydrophobicContact CB-CG 4.48Å; M126-F563 HydrophobicContact CG-CB 4.46Å; M126-F563 HydrophobicContact CG-CD1 3.7Å; M126-F563 HydrophobicContact CG-CE1 4.36Å; M126-F563 HydrophobicContact CG-CG 4.35Å; M126-F563 HydrophobicContact SD-CB 3.78Å; M126-F563 HydrophobicContact SD-CD1 4.16Å; M126-F563 HydrophobicContact SD-CG 4.24Å; M126-I566 HydrophobicContact CE-CB 4.08Å; M126-I566 HydrophobicContact CE-CD1 4.48Å; M126-I566 HydrophobicContact CE-CG2 4.19Å; M126-I566 HydrophobicContact CG-CD1 3.79Å; M126-I566 HydrophobicContact SD-CD1 4.41Å; M126-P567 HydrophobicContact CE-CG 4Å
127S96.1Very high93.3Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-61.6-34.9173.7-58.90000112.2F92 M104 W123 S124 V125 M130 Q131F92-S127 WeakPolarHBondContact CE2-OG 3.27Å; M104-S127 WeakPolarHBondContact CB-OG 3.41Å; W123-S127 WeakPolarHBondContact O-CB 3.49Å; W123-S127 PolarHBondContact O-N 3.22Å; W123-S127 PolarHBondContact O-OG 2.94Å; S124-S127 WeakPolarHBondContact O-CB 3.39Å; S124-S127 PolarHBondContact O-N 3.29Å; V125-S127 VanDerWaalsContact C-N 3.3Å; V125-S127 PolarHBondContact O-N 2.74Å; S127-M130 PolarHBondContact O-N 2.92Å; S127-Q131 WeakPolarHBondContact O-CG 3.34Å; S127-Q131 PolarHBondContact O-N 3.31Å
128L96Very high92.9Very high1 Ų136.9 Ų36.91%0.00519%0.191CC..Hα-helixtrans-70.9-37.7174.9-173.461000112S124 V125 M126 M130 Q131 A132 F145 L148 A149 M152S124-L128 PolarHBondContact O-N 2.93Å; S124-L128 VanDerWaalsContact O-N 3.07Å; V125-L128 WeakPolarHBondContact O-CA 3.42Å; V125-L128 VanDerWaalsContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CB 3.34Å; V125-L128 PolarHBondContact O-N 3.04Å; M126-L128 PolarHBondContact O-N 3.11Å; L128-M130 VanDerWaalsContact C-N 3.34Å; L128-Q131 WeakPolarHBondContact O-CB 3.21Å; L128-Q131 PolarHBondContact O-N 3.29Å; L128-A132 PolarHBondContact O-N 2.99Å; L128-F145 HydrophobicContact CD1-CB 4.03Å; L128-F145 HydrophobicContact CD1-CD1 3.58Å; L128-F145 HydrophobicContact CD1-CE1 4.45Å; L128-F145 HydrophobicContact CD1-CG 4.19Å; L128-F145 WeakPolarHBondContact CD2-O 3.35Å; L128-F145 HydrophobicContact CG-CB 4.43Å; L128-F145 WeakPolarHBondContact CG-O 3.33Å; L128-L148 HydrophobicContact CD1-CD2 4.45Å; L128-L148 HydrophobicContact CD2-CB 3.86Å; L128-L148 HydrophobicContact CD2-CD2 3.79Å; L128-L148 HydrophobicContact CD2-CG 3.64Å; L128-A149 HydrophobicContact CD2-CB 3.81Å; L128-A149 HydrophobicContact CG-CB 4.18Å; L128-M152 HydrophobicContact CD2-SD 4.24Å
129V96.1Very high92.7Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-62.9-41.7170.31770000110.9V125 M126 Q131 A132 I133 A149 L170 M173 I174V125-V129 PolarHBondContact O-N 2.9Å; M126-V129 HydrophobicContact CE-CB 4.36Å; M126-V129 HydrophobicContact CE-CG1 4.24Å; M126-V129 WeakPolarHBondContact O-CB 3.38Å; M126-V129 PolarHBondContact O-N 3.25Å; M126-V129 HydrophobicContact SD-CB 4.5Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-Q131 PolarHBondContact O-N 3.21Å; V129-A132 WeakPolarHBondContact O-CB 3.33Å; V129-A132 PolarHBondContact O-N 3.33Å; V129-A132 VanDerWaalsContact O-N 3.11Å; V129-I133 HydrophobicContact CG1-CD1 3.84Å; V129-I133 HydrophobicContact CG1-CG1 4.42Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.42Å; V129-A149 HydrophobicContact CG2-CB 4.25Å; V129-L170 HydrophobicContact CG2-CD1 4.13Å; V129-M173 HydrophobicContact CG1-CE 4.04Å; V129-M173 HydrophobicContact CG1-SD 4.44Å; V129-I174 HydrophobicContact CG2-CD1 4.09Å; V129-I174 HydrophobicContact CG2-CG1 3.62Å
130M95.1Very high92.5Very high1 Ų143.5 Ų43.51%0.00522%0.215CC..Hα-helixtrans-64.5-36.7175.1-68.2-52.2-57.900112.6Y101 M126 S127 L128 A132 I133 S134 I566 P567 I570Y101-M130 HydrophobicContact CD1-CB 3.42Å; Y101-M130 VanDerWaalsContact CD1-CB 3.42Å; Y101-M130 HydrophobicContact CD1-CG 4.16Å; Y101-M130 HydrophobicContact CD2-CB 4.2Å; Y101-M130 HydrophobicContact CE1-CB 3.72Å; Y101-M130 HydrophobicContact CE1-CE 3.97Å; Y101-M130 HydrophobicContact CE1-CG 4.13Å; Y101-M130 HydrophobicContact CE2-CB 4.44Å; Y101-M130 HydrophobicContact CG-CB 3.7Å; M126-M130 HydrophobicContact CE-CG 3.75Å; M126-M130 HydrophobicContact CE-SD 3.47Å; M126-M130 WeakPolarHBondContact CE-SD 3.27Å; M126-M130 WeakPolarHBondContact O-CG 3.31Å; M126-M130 PolarHBondContact O-N 3.47Å; S127-M130 PolarHBondContact O-N 2.92Å; L128-M130 VanDerWaalsContact C-N 3.34Å; M130-A132 VanDerWaalsContact C-N 3.31Å; M130-A132 PolarHBondContact O-N 3.02Å; M130-I133 PolarHBondContact O-N 3.16Å; M130-I133 HydrophobicContact SD-CD1 3.88Å; M130-S134 WeakPolarHBondContact O-CB 3.49Å; M130-S134 PolarHBondContact O-N 2.93Å; M130-S134 PolarHBondContact O-OG 3.36Å; M130-I566 HydrophobicContact CE-CG2 4.35Å; M130-I566 HydrophobicContact CG-CG2 4.22Å; M130-I566 HydrophobicContact SD-CG2 3.73Å; M130-P567 HydrophobicContact SD-CG 4.14Å; M130-I570 HydrophobicContact CE-CB 4.43Å; M130-I570 HydrophobicContact CE-CG1 3.91Å
131Q94.3Very high92.3Very high15 Ų1542.6 Ų42.67%0.0721%0.213CC..Hα-helixtrans-57.8-45169.7-75.617784.200111.2Y101 K102 S127 L128 V129 S134 A135 F145Y101-Q131 PolarHBondContact O-NE2 3.43Å; K102-Q131 VanDerWaalsContact CA-CD 3.48Å; S127-Q131 WeakPolarHBondContact O-CG 3.34Å; S127-Q131 PolarHBondContact O-N 3.31Å; L128-Q131 WeakPolarHBondContact O-CB 3.21Å; L128-Q131 PolarHBondContact O-N 3.29Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-Q131 PolarHBondContact O-N 3.21Å; Q131-S134 PolarHBondContact O-N 3.28Å; Q131-S134 PolarHBondContact O-OG 2.86Å; Q131-S134 VanDerWaalsContact O-OG 3.13Å; Q131-A135 WeakPolarHBondContact O-CB 3.46Å; Q131-A135 PolarHBondContact O-N 3.32Å; Q131-F145 HydrophobicContact CB-CD1 4.36Å; Q131-F145 HydrophobicContact CB-CD2 4.29Å; Q131-F145 HydrophobicContact CB-CE1 4.34Å; Q131-F145 HydrophobicContact CB-CE2 4.3Å; Q131-F145 HydrophobicContact CB-CG 4.33Å; Q131-F145 HydrophobicContact CB-CZ 4.33Å
132A94.1Very high92Very high9 Ų945.2 Ų45.27%0.07423%0.225CC..Hα-helixtrans-61.2-45176.600000112.6L128 V129 M130 S134 A135 A141 F145 L146L128-A132 PolarHBondContact O-N 2.99Å; V129-A132 WeakPolarHBondContact O-CB 3.33Å; V129-A132 PolarHBondContact O-N 3.33Å; V129-A132 VanDerWaalsContact O-N 3.11Å; M130-A132 VanDerWaalsContact C-N 3.31Å; M130-A132 PolarHBondContact O-N 3.02Å; A132-S134 VanDerWaalsContact C-N 3.33Å; A132-S134 PolarHBondContact O-N 2.8Å; A132-A135 PolarHBondContact O-N 2.93Å; A132-A141 HydrophobicContact CB-CB 3.95Å; A132-A141 WeakPolarHBondContact O-CB 3.46Å; A132-F145 HydrophobicContact CB-CB 3.86Å; A132-F145 HydrophobicContact CB-CD2 4.46Å; A132-L146 HydrophobicContact CB-CD1 4.39Å; A132-L146 HydrophobicContact CB-CD2 3.77Å; A132-L146 HydrophobicContact CB-CG 3.72Å
133I91.3Very high91.6Very high63 Ų6350.2 Ų50.232%0.32326%0.256SS..Hα-helixtrans-65.5-36.5179.1-65.8162.9000111.8V129 M130 P567V129-I133 HydrophobicContact CG1-CD1 3.84Å; V129-I133 HydrophobicContact CG1-CG1 4.42Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.42Å; M130-I133 PolarHBondContact O-N 3.16Å; M130-I133 HydrophobicContact SD-CD1 3.88Å; I133-P567 HydrophobicContact CD1-CB 4.05Å; I133-P567 HydrophobicContact CD1-CG 3.7Å
134S87.9Confident91.4Very high65 Ų6553.9 Ų53.946%0.45528%0.275SS..Hα-helixtrans-86.9-6.7-178.669.40000114.4Y101 M130 Q131 A132 K136Y101-S134 WeakPolarHBondContact CD2-OG 3.44Å; M130-S134 WeakPolarHBondContact O-CB 3.49Å; M130-S134 PolarHBondContact O-N 2.93Å; M130-S134 PolarHBondContact O-OG 3.36Å; Q131-S134 PolarHBondContact O-N 3.28Å; Q131-S134 PolarHBondContact O-OG 2.86Å; Q131-S134 VanDerWaalsContact O-OG 3.13Å; A132-S134 VanDerWaalsContact C-N 3.33Å; A132-S134 PolarHBondContact O-N 2.8Å; S134-K136 PolarHBondContact O-N 3.12Å
135A87.1Confident91.3Very high29 Ų2955.1 Ų55.124%0.2428%0.28CS..  trans-68.9130.2-175.900000110.6Q131 A132 D137 A141 F145Q131-A135 WeakPolarHBondContact O-CB 3.46Å; Q131-A135 PolarHBondContact O-N 3.32Å; A132-A135 PolarHBondContact O-N 2.93Å; A135-D137 VanDerWaalsContact C-N 3.26Å; A135-D137 PolarHBondContact O-N 3.41Å; A135-A141 HydrophobicContact CB-CB 4.35Å; A135-F145 HydrophobicContact CB-CE2 4.24Å
136K80.8Confident91.3Very high224 Ų22455.3 Ų55.397%0.97428%0.281SS*.SBendtrans-67.6-29.9171-65.5-173.8178.5-175.60112.3S134S134-K136 PolarHBondContact O-N 3.12Å
137D86.7Confident91.2Very high85 Ų8556.8 Ų56.846%0.45529%0.291SS..  trans-98.9105.8177.3-176.83.3000110.2A135 K139 L140 A141A135-D137 VanDerWaalsContact C-N 3.26Å; A135-D137 PolarHBondContact O-N 3.41Å; D137-K139 PolarHBondContact O-N 2.78Å; D137-K139 VanDerWaalsContact OD1-CB 3.3Å; D137-K139 WeakPolarHBondContact OD1-CB 3.37Å; D137-K139 PolarHBondContact OD1-N 3.25Å; D137-L140 HydrophobicContact CB-CB 4.17Å; D137-L140 WeakPolarHBondContact O-CB 3.43Å; D137-L140 PolarHBondContact O-N 3.35Å; D137-L140 VanDerWaalsContact O-N 3.16Å; D137-A141 PolarHBondContact O-N 3.31Å
138E84.6Confident91.2Very high145 Ų14559.5 Ų59.568%0.67831%0.306SS*.Hα-helixtrans-61.5-29.6177.9-170.2173.9-16900112.3L140 A141 Q142E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.69Å; E138-A141 WeakPolarHBondContact O-CB 3.34Å; E138-A141 PolarHBondContact O-N 3.06Å; E138-Q142 HydrophobicContact CG-CG 4.44Å; E138-Q142 WeakPolarHBondContact O-CG 3.34Å; E138-Q142 PolarHBondContact O-N 3.25Å
139K87.9Confident91.3Very high159 Ų15959.5 Ų59.569%0.69131%0.305SS*.Hα-helixtrans-65.4-39.7176.4-64.2-178.7178.4178.10110.9D137 A141 Q142 T143D137-K139 PolarHBondContact O-N 2.78Å; D137-K139 VanDerWaalsContact OD1-CB 3.3Å; D137-K139 WeakPolarHBondContact OD1-CB 3.37Å; D137-K139 PolarHBondContact OD1-N 3.25Å; K139-A141 VanDerWaalsContact C-N 3.32Å; K139-Q142 PolarHBondContact O-N 3.4Å; K139-T143 VanDerWaalsContact O-CB 3.29Å; K139-T143 WeakPolarHBondContact O-CB 3.42Å; K139-T143 WeakPolarHBondContact O-CG2 3.34Å; K139-T143 PolarHBondContact O-N 2.98Å; K139-T143 PolarHBondContact O-OG1 3.33Å
140L89.6Confident91.4Very high64 Ų6460 Ų6034%0.33531%0.308SS..Hα-helixtrans-65.7-38.6177.2-168.567.8000111.4D137 E138 M144 F145D137-L140 HydrophobicContact CB-CB 4.17Å; D137-L140 WeakPolarHBondContact O-CB 3.43Å; D137-L140 PolarHBondContact O-N 3.35Å; D137-L140 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.69Å; L140-M144 HydrophobicContact CD1-CB 4.01Å; L140-M144 HydrophobicContact CD1-CE 3.48Å; L140-M144 VanDerWaalsContact CD1-CE 3.48Å; L140-M144 HydrophobicContact CD1-SD 3.8Å; L140-M144 HydrophobicContact CD2-CE 4.22Å; L140-M144 HydrophobicContact CG-CE 3.85Å; L140-M144 WeakPolarHBondContact O-CB 3.24Å; L140-M144 PolarHBondContact O-N 3.03Å; L140-M144 VanDerWaalsContact O-N 3.12Å; L140-F145 HydrophobicContact CB-CE2 4.48Å; L140-F145 HydrophobicContact CD2-CE2 3.56Å; L140-F145 HydrophobicContact CD2-CZ 3.72Å; L140-F145 HydrophobicContact CG-CD2 4.19Å; L140-F145 HydrophobicContact CG-CE2 3.68Å; L140-F145 HydrophobicContact CG-CZ 4.06Å; L140-F145 PolarHBondContact O-N 3.01Å
141A89.1Confident91.5Very high7 Ų767.3 Ų67.36%0.05834%0.335CS..Iπ-helixtrans-58.6-50.6173.500000111.5A132 A135 D137 E138 K139 L146A132-A141 HydrophobicContact CB-CB 3.95Å; A132-A141 WeakPolarHBondContact O-CB 3.46Å; A135-A141 HydrophobicContact CB-CB 4.35Å; D137-A141 PolarHBondContact O-N 3.31Å; E138-A141 WeakPolarHBondContact O-CB 3.34Å; E138-A141 PolarHBondContact O-N 3.06Å; K139-A141 VanDerWaalsContact C-N 3.32Å; A141-L146 WeakPolarHBondContact O-CB 3.43Å; A141-L146 WeakPolarHBondContact O-CG 3.49Å; A141-L146 PolarHBondContact O-N 3.33Å
142Q89.8Confident91.6Very high68 Ų6867.6 Ų67.632%0.31834%0.337SS..Iπ-helixtrans-77.9-32.1-174.9-67.3-63.7-900114.5E138 K139 P147 R177E138-Q142 HydrophobicContact CG-CG 4.44Å; E138-Q142 WeakPolarHBondContact O-CG 3.34Å; E138-Q142 PolarHBondContact O-N 3.25Å; K139-Q142 PolarHBondContact O-N 3.4Å; Q142-P147 WeakPolarHBondContact O-CD 3.45Å; Q142-P147 WeakPolarHBondContact O-CG 3.33Å; Q142-R177 PolarHBondContact NE2-O 3.27Å; Q142-R177 PolarHBondContact OE1-O 2.76Å
143T90Very high91.8Very high107 Ų10767.2 Ų67.266%0.65633%0.333SS*.Iπ-helixtrans-97.8-20.9-173.7620000114.2K139K139-T143 VanDerWaalsContact O-CB 3.29Å; K139-T143 WeakPolarHBondContact O-CB 3.42Å; K139-T143 WeakPolarHBondContact O-CG2 3.34Å; K139-T143 PolarHBondContact O-N 2.98Å; K139-T143 PolarHBondContact O-OG1 3.33Å
144M92.7Very high92Very high89 Ų8966.8 Ų66.844%0.43833%0.33SS..Iπ-helixtrans-124.6-56.4-174.1-169.5-177.675.700113L140 L148L140-M144 HydrophobicContact CD1-CB 4.01Å; L140-M144 HydrophobicContact CD1-CE 3.48Å; L140-M144 VanDerWaalsContact CD1-CE 3.48Å; L140-M144 HydrophobicContact CD1-SD 3.8Å; L140-M144 HydrophobicContact CD2-CE 4.22Å; L140-M144 HydrophobicContact CG-CE 3.85Å; L140-M144 WeakPolarHBondContact O-CB 3.24Å; L140-M144 PolarHBondContact O-N 3.03Å; L140-M144 VanDerWaalsContact O-N 3.12Å; M144-L148 WeakPolarHBondContact O-CB 3.47Å; M144-L148 PolarHBondContact O-N 3.49Å
145F94.4Very high92.4Very high26 Ų2668.7 Ų68.711%0.11433%0.33CS..Iπ-helixtrans-72.1-55.2-171.7-63.9-45.9000112.6L128 Q131 A132 A135 L140 L148 A149L128-F145 HydrophobicContact CD1-CB 4.03Å; L128-F145 HydrophobicContact CD1-CD1 3.58Å; L128-F145 HydrophobicContact CD1-CE1 4.45Å; L128-F145 HydrophobicContact CD1-CG 4.19Å; L128-F145 WeakPolarHBondContact CD2-O 3.35Å; L128-F145 HydrophobicContact CG-CB 4.43Å; L128-F145 WeakPolarHBondContact CG-O 3.33Å; Q131-F145 HydrophobicContact CB-CD1 4.36Å; Q131-F145 HydrophobicContact CB-CD2 4.29Å; Q131-F145 HydrophobicContact CB-CE1 4.34Å; Q131-F145 HydrophobicContact CB-CE2 4.3Å; Q131-F145 HydrophobicContact CB-CG 4.33Å; Q131-F145 HydrophobicContact CB-CZ 4.33Å; A132-F145 HydrophobicContact CB-CB 3.86Å; A132-F145 HydrophobicContact CB-CD2 4.46Å; A135-F145 HydrophobicContact CB-CE2 4.24Å; L140-F145 HydrophobicContact CB-CE2 4.48Å; L140-F145 HydrophobicContact CD2-CE2 3.56Å; L140-F145 HydrophobicContact CD2-CZ 3.72Å; L140-F145 HydrophobicContact CG-CD2 4.19Å; L140-F145 HydrophobicContact CG-CE2 3.68Å; L140-F145 HydrophobicContact CG-CZ 4.06Å; L140-F145 PolarHBondContact O-N 3.01Å; F145-L148 PolarHBondContact O-N 3.4Å; F145-A149 PolarHBondContact O-N 2.95Å
146L95.7Very high92.8Very high4 Ų467.4 Ų67.42%0.02132%0.319CS..Hα-helixtrans-65.5-42.8-178.7-65.6170.6000112.9A132 A141 L148 A149 E150 R177 L178A132-L146 HydrophobicContact CB-CD1 4.39Å; A132-L146 HydrophobicContact CB-CD2 3.77Å; A132-L146 HydrophobicContact CB-CG 3.72Å; A141-L146 WeakPolarHBondContact O-CB 3.43Å; A141-L146 WeakPolarHBondContact O-CG 3.49Å; A141-L146 PolarHBondContact O-N 3.33Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.84Å; L146-A149 WeakPolarHBondContact O-CB 3.48Å; L146-A149 PolarHBondContact O-N 3.26Å; L146-A149 VanDerWaalsContact O-N 3.1Å; L146-E150 PolarHBondContact O-N 3.48Å; L146-R177 HydrophobicContact CD1-CB 3.82Å; L146-R177 HydrophobicContact CD2-CB 4.15Å; L146-L178 HydrophobicContact CB-CD1 4.31Å; L146-L178 HydrophobicContact CB-CD2 3.43Å; L146-L178 VanDerWaalsContact CB-CD2 3.43Å; L146-L178 HydrophobicContact CB-CG 3.77Å; L146-L178 HydrophobicContact CD1-CD2 4.3Å; L146-L178 HydrophobicContact CD1-CG 4.47Å
147P96.3Very high93.4Very high32 Ų3259 Ų5921%0.20829%0.286CS..Hα-helixtrans-66.5-27.9176.3-23.835.7000113.6Q142 R151 L178Q142-P147 WeakPolarHBondContact O-CD 3.45Å; Q142-P147 WeakPolarHBondContact O-CG 3.33Å; P147-R151 VanDerWaalsContact O-CG 3.32Å; P147-R151 WeakPolarHBondContact O-CG 3.36Å; P147-R151 PolarHBondContact O-N 2.73Å; P147-R151 VanDerWaalsContact O-N 3.15Å; P147-R151 PolarHBondContact O-NE 3.2Å; P147-L178 HydrophobicContact CG-CD2 3.95Å
148L96.6Very high93.8Very high57 Ų5762.6 Ų62.630%0.29830%0.298SS..Hα-helixtrans-71.6-41.4171.1176.463.9000110.9L128 M144 F145 L146 R151 M152L128-L148 HydrophobicContact CD1-CD2 4.45Å; L128-L148 HydrophobicContact CD2-CB 3.86Å; L128-L148 HydrophobicContact CD2-CD2 3.79Å; L128-L148 HydrophobicContact CD2-CG 3.64Å; M144-L148 WeakPolarHBondContact O-CB 3.47Å; M144-L148 PolarHBondContact O-N 3.49Å; F145-L148 PolarHBondContact O-N 3.4Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.84Å; L148-R151 PolarHBondContact O-N 2.92Å; L148-M152 HydrophobicContact CD1-CG 4.47Å; L148-M152 HydrophobicContact CG-SD 4.43Å; L148-M152 VanDerWaalsContact O-CG 3.28Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.27Å
149A97.3Very high94.2Very high0 Ų059.4 Ų59.40%028%0.283CS..Hα-helixtrans-60.6-45.4175.500000111.2V125 L128 V129 F145 L146 M152 V153 I174V125-A149 HydrophobicContact CG1-CB 4.2Å; L128-A149 HydrophobicContact CD2-CB 3.81Å; L128-A149 HydrophobicContact CG-CB 4.18Å; V129-A149 HydrophobicContact CG2-CB 4.25Å; F145-A149 PolarHBondContact O-N 2.95Å; L146-A149 WeakPolarHBondContact O-CB 3.48Å; L146-A149 PolarHBondContact O-N 3.26Å; L146-A149 VanDerWaalsContact O-N 3.1Å; A149-M152 WeakPolarHBondContact O-CB 3.46Å; A149-M152 PolarHBondContact O-N 3.03Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.46Å; A149-I174 HydrophobicContact CB-CD1 3.91Å; A149-I174 HydrophobicContact CB-CG1 4.26Å; A149-I174 HydrophobicContact CB-CG2 4.41Å
150E97.7Very high94.3Very high12 Ų1260.5 Ų60.56%0.05629%0.291CS..Hα-helixtrans-55.4-56174.4175.7179.1-132.600111.5L146 M152 V153 E154 I174 L175 L178 K180L146-E150 PolarHBondContact O-N 3.48Å; E150-M152 PolarHBondContact O-N 3.04Å; E150-V153 CarbonylContact O-C 3.56Å; E150-V153 PolarHBondContact O-N 3.13Å; E150-E154 HydrophobicContact CG-CG 4.2Å; E150-E154 PolarHBondContact O-N 2.98Å; E150-I174 HydrophobicContact CB-CG2 3.84Å; E150-L175 VanDerWaalsContact OE1-CD2 3.26Å; E150-L175 WeakPolarHBondContact OE1-CD2 3.37Å; E150-L178 HydrophobicContact CB-CD1 3.9Å; E150-L178 HydrophobicContact CG-CD1 4.36Å; E150-K180 VanDerWaalsContact CD-NZ 3.3Å; E150-K180 VanDerWaalsContact OE1-CD 3.27Å; E150-K180 WeakPolarHBondContact OE1-CD 3.37Å; E150-K180 WeakPolarHBondContact OE1-CE 3.24Å; E150-K180 IonicContact OE1-NZ 3.06Å; E150-K180 PolarHBondContact OE1-NZ 2.99Å; E150-K180 IonicContact OE2-NZ 3.09Å; E150-K180 PolarHBondContact OE2-NZ 3.46Å
151R97.4Very high94.4Very high154 Ų15461.2 Ų61.258%0.58129%0.291SS*.Hα-helixtrans-57.1-35.3178.9-74.6-175.8-64.5164.2-1.7112.9P147 L148 K155P147-R151 VanDerWaalsContact O-CG 3.32Å; P147-R151 WeakPolarHBondContact O-CG 3.36Å; P147-R151 PolarHBondContact O-N 2.73Å; P147-R151 VanDerWaalsContact O-N 3.15Å; P147-R151 PolarHBondContact O-NE 3.2Å; L148-R151 PolarHBondContact O-N 2.92Å; R151-K155 PolarHBondContact O-N 3.09Å; R151-K155 VanDerWaalsContact O-N 3.15Å
152M97.1Very high94.6Very high21 Ų2161.3 Ų61.310%0.10329%0.291CS..Hα-helixtrans-65.3-40.3175.8-76.3-179.169.900111.9M109 Y121 V125 L128 L148 A149 E150M109-M152 HydrophobicContact CE-CE 3.56Å; Y121-M152 HydrophobicContact CD2-CE 4.5Å; Y121-M152 HydrophobicContact CE1-CB 4.22Å; Y121-M152 HydrophobicContact CE1-CE 4.26Å; Y121-M152 WeakPolarHBondContact CE1-O 3.28Å; Y121-M152 HydrophobicContact CE2-CE 3.87Å; Y121-M152 VanDerWaalsContact OH-CA 3.3Å; Y121-M152 WeakPolarHBondContact OH-CA 3.31Å; Y121-M152 WeakPolarHBondContact OH-CB 3.48Å; Y121-M152 PolarHBondContact OH-O 2.79Å; V125-M152 HydrophobicContact CG2-CB 3.98Å; V125-M152 HydrophobicContact CG2-CE 3.84Å; V125-M152 HydrophobicContact CG2-SD 4.42Å; L128-M152 HydrophobicContact CD2-SD 4.24Å; L148-M152 HydrophobicContact CD1-CG 4.47Å; L148-M152 HydrophobicContact CG-SD 4.43Å; L148-M152 VanDerWaalsContact O-CG 3.28Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.27Å; A149-M152 WeakPolarHBondContact O-CB 3.46Å; A149-M152 PolarHBondContact O-N 3.03Å; E150-M152 PolarHBondContact O-N 3.04Å
153V97.1Very high94.5Very high0 Ų064.8 Ų64.80%031%0.307CS..Hα-helixtrans-75.5-44.1178-179.90000111.3F122 V125 A149 E150 K155 M156 V157 I162 Y171 I174F122-V153 HydrophobicContact CE1-CG1 4.33Å; F122-V153 HydrophobicContact CE1-CG2 4.07Å; V125-V153 HydrophobicContact CG1-CG2 3.64Å; V125-V153 HydrophobicContact CG2-CG2 4.27Å; A149-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 PolarHBondContact O-N 3.46Å; E150-V153 CarbonylContact O-C 3.56Å; E150-V153 PolarHBondContact O-N 3.13Å; V153-K155 PolarHBondContact O-N 3.36Å; V153-M156 CarbonylContact O-C 3.41Å; V153-M156 WeakPolarHBondContact O-CA 3.46Å; V153-M156 WeakPolarHBondContact O-CB 3.44Å; V153-M156 PolarHBondContact O-N 3.28Å; V153-V157 HydrophobicContact CG1-CG2 4.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 3.42Å; V153-I162 HydrophobicContact CG1-CD1 4.43Å; V153-Y171 HydrophobicContact CB-CD2 4.01Å; V153-Y171 HydrophobicContact CB-CG 4.49Å; V153-Y171 HydrophobicContact CG1-CD1 4.23Å; V153-Y171 HydrophobicContact CG1-CD2 3.55Å; V153-Y171 HydrophobicContact CG1-CE2 4.25Å; V153-Y171 HydrophobicContact CG1-CG 3.55Å; V153-I174 HydrophobicContact CG2-CD1 3.77Å
154E95.9Very high94.5Very high55 Ų5561.8 Ų61.826%0.25729%0.293SS..Hα-helixtrans-54.6-37.2175.4-76.2-171.817100112.5E150 M156 V157 K158E150-E154 HydrophobicContact CG-CG 4.2Å; E150-E154 PolarHBondContact O-N 2.98Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 3.3Å; E154-V157 PolarHBondContact O-N 2.83Å; E154-K158 WeakPolarHBondContact O-CB 3.36Å; E154-K158 WeakPolarHBondContact O-CG 3.38Å; E154-K158 PolarHBondContact O-N 2.96Å; E154-K158 IonicContact OE2-NZ 2.69Å
155K95.9Very high94.5Very high105 Ų10559.1 Ų59.146%0.45728%0.279SS..Hα-helixtrans-58.2-45.8173.6-178.5-173.4170.6-173.80111.1R151 V153 K158 E159R151-K155 PolarHBondContact O-N 3.09Å; R151-K155 VanDerWaalsContact O-N 3.15Å; V153-K155 PolarHBondContact O-N 3.36Å; K155-K158 PolarHBondContact O-N 3.41Å; K155-E159 WeakPolarHBondContact CE-OE1 3.26Å; K155-E159 IonicContact NZ-OE1 3.41Å; K155-E159 WeakPolarHBondContact O-CB 3.32Å; K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 3Å
156M95.6Very high94.5Very high1 Ų158.8 Ų58.81%0.00528%0.281CS..Hα-helixtrans-70.5-32.5178.8-64.9-59167.100112.3Y121 F122 V153 E154 E159 E160 K161 I162Y121-M156 HydrophobicContact CD1-CE 3.74Å; Y121-M156 HydrophobicContact CD1-CG 3.87Å; Y121-M156 HydrophobicContact CD2-CE 3.63Å; Y121-M156 HydrophobicContact CE1-CE 3.55Å; Y121-M156 HydrophobicContact CE1-CG 3.49Å; Y121-M156 VanDerWaalsContact CE1-CG 3.49Å; Y121-M156 HydrophobicContact CE1-SD 4.36Å; Y121-M156 HydrophobicContact CE2-CE 3.44Å; Y121-M156 VanDerWaalsContact CE2-CE 3.44Å; Y121-M156 HydrophobicContact CG-CE 3.76Å; F122-M156 HydrophobicContact CZ-CB 4.07Å; F122-M156 HydrophobicContact CZ-CG 4.14Å; V153-M156 CarbonylContact O-C 3.41Å; V153-M156 WeakPolarHBondContact O-CA 3.46Å; V153-M156 WeakPolarHBondContact O-CB 3.44Å; V153-M156 PolarHBondContact O-N 3.28Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 3.3Å; M156-E159 PolarHBondContact O-N 3.14Å; M156-E160 PolarHBondContact O-N 3.05Å; M156-K161 PolarHBondContact O-N 3.08Å; M156-K161 HydrophobicContact SD-CB 4.07Å; M156-K161 HydrophobicContact SD-CD 4.09Å; M156-I162 HydrophobicContact CB-CD1 3.99Å
157V94.4Very high94.4Very high47 Ų4759 Ų5929%0.28528%0.282SS..Hα-helixtrans-62.6-48.7171.31760000110.7V153 E154 E159 E160 I162 Y171 L192V153-V157 HydrophobicContact CG1-CG2 4.29Å; V153-V157 WeakPolarHBondContact O-CG2 3.48Å; V153-V157 PolarHBondContact O-N 3.42Å; E154-V157 PolarHBondContact O-N 2.83Å; V157-E159 VanDerWaalsContact C-N 3.28Å; V157-E159 PolarHBondContact O-N 3.23Å; V157-E160 PolarHBondContact O-N 3.19Å; V157-I162 HydrophobicContact CB-CG1 4.5Å; V157-I162 HydrophobicContact CG2-CD1 4.19Å; V157-I162 HydrophobicContact CG2-CG1 3.83Å; V157-Y171 HydrophobicContact CG2-CD1 4.28Å; V157-Y171 HydrophobicContact CG2-CE1 4.12Å; V157-L192 HydrophobicContact CG1-CD1 4.23Å; V157-L192 HydrophobicContact CG2-CD1 4.17Å
158K94.1Very high94.4Very high161 Ų16157.6 Ų57.670%0.727%0.273SS*.Hα-helixtrans-64.5-30.9178.6-72170.4-173.8166.10113.2E154 K155 E160E154-K158 WeakPolarHBondContact O-CB 3.36Å; E154-K158 WeakPolarHBondContact O-CG 3.38Å; E154-K158 PolarHBondContact O-N 2.96Å; E154-K158 IonicContact OE2-NZ 2.69Å; K155-K158 PolarHBondContact O-N 3.41Å; K158-E160 VanDerWaalsContact C-N 3.28Å
159E93.1Very high94.3Very high79 Ų7956 Ų5637%0.36926%0.264SS..THydrogen-bonded Turntrans-84.21.7175.5-69.6179.2-164.700113.2K155 M156 V157 K161K155-E159 WeakPolarHBondContact CE-OE1 3.26Å; K155-E159 IonicContact NZ-OE1 3.41Å; K155-E159 WeakPolarHBondContact O-CB 3.32Å; K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 3Å; M156-E159 PolarHBondContact O-N 3.14Å; V157-E159 VanDerWaalsContact C-N 3.28Å; V157-E159 PolarHBondContact O-N 3.23Å; E159-K161 HydrophobicContact CB-CD 4.02Å; E159-K161 HydrophobicContact CB-CG 4.05Å; E159-K161 PolarHBondContact O-N 3.43Å; E159-K161 WeakPolarHBondContact OE2-CD 3.49Å; E159-K161 WeakPolarHBondContact OE2-CE 3.25Å; E159-K161 IonicContact OE2-NZ 3.67Å; E159-K161 PolarHBondContact OE2-NZ 3.09Å
160E90.6Very high94.2Very high182 Ų18256 Ų5685%0.8526%0.264SS*.THydrogen-bonded Turntrans55.729.7-175.4-60-176.6170.400113.9M156 V157 K158M156-E160 PolarHBondContact O-N 3.05Å; V157-E160 PolarHBondContact O-N 3.19Å; K158-E160 VanDerWaalsContact C-N 3.28Å
161K92.3Very high94.2Very high78 Ų7856.4 Ų56.434%0.33927%0.265SS..  trans-98.919.6-178.3-68.6179.6-175.4164.90114N118 M156 E159 E163N118-K161 PolarHBondContact ND2-O 3.01Å; M156-K161 PolarHBondContact O-N 3.08Å; M156-K161 HydrophobicContact SD-CB 4.07Å; M156-K161 HydrophobicContact SD-CD 4.09Å; E159-K161 HydrophobicContact CB-CD 4.02Å; E159-K161 HydrophobicContact CB-CG 4.05Å; E159-K161 PolarHBondContact O-N 3.43Å; E159-K161 WeakPolarHBondContact OE2-CD 3.49Å; E159-K161 WeakPolarHBondContact OE2-CE 3.25Å; E159-K161 IonicContact OE2-NZ 3.67Å; E159-K161 PolarHBondContact OE2-NZ 3.09Å; K161-E163 PolarHBondContact O-N 3.45Å
162I92.9Very high94.1Very high10 Ų1049.4 Ų49.45%0.05124%0.239CC..  trans-85.6103.3168.5-59.3-65.1000107F122 V153 M156 V157 E167 V168 L192 K195F122-I162 HydrophobicContact CE1-CD1 4.22Å; F122-I162 HydrophobicContact CE2-CD1 4.49Å; F122-I162 HydrophobicContact CZ-CD1 3.57Å; V153-I162 HydrophobicContact CG1-CD1 4.43Å; M156-I162 HydrophobicContact CB-CD1 3.99Å; V157-I162 HydrophobicContact CB-CG1 4.5Å; V157-I162 HydrophobicContact CG2-CD1 4.19Å; V157-I162 HydrophobicContact CG2-CG1 3.83Å; I162-E167 VanDerWaalsContact CA-OE2 3.29Å; I162-E167 WeakPolarHBondContact CA-OE2 3.31Å; I162-E167 HydrophobicContact CD1-CB 4.08Å; I162-E167 HydrophobicContact CG2-CB 4.03Å; I162-V168 HydrophobicContact CG2-CG2 3.76Å; I162-L192 HydrophobicContact CB-CD2 4.26Å; I162-L192 HydrophobicContact CG2-CD2 4.06Å; I162-K195 PolarHBondContact O-NZ 3.33Å
163E87Confident94Very high141 Ų14148.9 Ų48.966%0.65924%0.236SC*.  trans-99.6-31.4-174-68.8174.9-172.900112.1N118 K161 E167N118-E163 PolarHBondContact ND2-OE1 2.9Å; N118-E163 PolarHBondContact ND2-OE2 3.42Å; K161-E163 PolarHBondContact O-N 3.45Å; E163-E167 PolarHBondContact N-OE2 2.85Å
164A90.7Very high94Very high43 Ų4348.9 Ų48.936%0.35524%0.236SC..SBendtrans-122.9156.2-168.300000114.2A166 E167A164-A166 VanDerWaalsContact C-N 3.29Å; A164-A166 PolarHBondContact O-N 3.46Å; A164-E167 HydrophobicContact CB-CG 4.4Å; A164-E167 PolarHBondContact N-OE2 3.39Å; A164-E167 PolarHBondContact O-N 3.04Å
165E92.8Very high94.1Very high33 Ų3346.3 Ų46.315%0.15422%0.224CC..Hα-helixtrans-56.5-41.5174.8178.6169.3171.700112.4E167 V168 Q169 L196 T197 S198E165-E167 PolarHBondContact O-N 3.28Å; E165-E167 VanDerWaalsContact O-N 3.15Å; E165-V168 WeakPolarHBondContact O-CB 3.23Å; E165-V168 PolarHBondContact O-N 3.46Å; E165-V168 VanDerWaalsContact O-N 3.07Å; E165-Q169 HydrophobicContact CG-CG 4.17Å; E165-Q169 WeakPolarHBondContact O-CG 3.37Å; E165-Q169 PolarHBondContact O-N 3.35Å; E165-Q169 PolarHBondContact OE1-NE2 3.24Å; E165-L196 HydrophobicContact CG-CD2 3.82Å; E165-T197 PolarHBondContact OE2-N 3.37Å; E165-S198 PolarHBondContact OE1-N 3.48Å; E165-S198 WeakPolarHBondContact OE2-CB 3.23Å; E165-S198 PolarHBondContact OE2-N 3.1Å
166A93.6Very high94Very high19 Ų1943.8 Ų43.816%0.15721%0.214CC..Hα-helixtrans-53.4-35.8179.200000113.4A164 L170 G561 F563A164-A166 VanDerWaalsContact C-N 3.29Å; A164-A166 PolarHBondContact O-N 3.46Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 3.23Å; A166-G561 WeakPolarHBondContact CB-O 3.44Å; A166-F563 HydrophobicContact CB-CD2 4.09Å; A166-F563 HydrophobicContact CB-CE2 4.15Å
167E95.1Very high93.8Very high10 Ų1048.4 Ų48.45%0.04723%0.232CC..Hα-helixtrans-74.8-37.1-177.6-59.5167.1163.100110.7F122 I162 E163 A164 E165 L170 Y171F122-E167 HydrophobicContact CD1-CB 4.4Å; F122-E167 HydrophobicContact CD1-CG 4.21Å; F122-E167 HydrophobicContact CD2-CG 3.62Å; F122-E167 WeakPolarHBondContact CD2-OE1 3.19Å; F122-E167 HydrophobicContact CE1-CB 4.03Å; F122-E167 HydrophobicContact CE1-CG 4.15Å; F122-E167 HydrophobicContact CE2-CB 4.2Å; F122-E167 HydrophobicContact CE2-CG 3.59Å; F122-E167 VanDerWaalsContact CE2-OE1 3.27Å; F122-E167 WeakPolarHBondContact CE2-OE1 3.45Å; F122-E167 HydrophobicContact CG-CG 3.96Å; F122-E167 HydrophobicContact CZ-CB 3.95Å; F122-E167 HydrophobicContact CZ-CG 3.87Å; I162-E167 VanDerWaalsContact CA-OE2 3.29Å; I162-E167 WeakPolarHBondContact CA-OE2 3.31Å; I162-E167 HydrophobicContact CD1-CB 4.08Å; I162-E167 HydrophobicContact CG2-CB 4.03Å; E163-E167 PolarHBondContact N-OE2 2.85Å; A164-E167 HydrophobicContact CB-CG 4.4Å; A164-E167 PolarHBondContact N-OE2 3.39Å; A164-E167 PolarHBondContact O-N 3.04Å; E165-E167 PolarHBondContact O-N 3.28Å; E165-E167 VanDerWaalsContact O-N 3.15Å; E167-L170 PolarHBondContact O-N 3.32Å; E167-Y171 WeakPolarHBondContact O-CB 3.46Å; E167-Y171 PolarHBondContact O-N 3.39Å
168V95.1Very high93.8Very high1 Ų147.7 Ų47.71%0.00623%0.226CC..Hα-helixtrans-66.6-43.3172.3-176.80000110.5I162 E165 L170 Y171 F172 L192 K195 L196I162-V168 HydrophobicContact CG2-CG2 3.76Å; E165-V168 WeakPolarHBondContact O-CB 3.23Å; E165-V168 PolarHBondContact O-N 3.46Å; E165-V168 VanDerWaalsContact O-N 3.07Å; V168-L170 PolarHBondContact O-N 3.04Å; V168-Y171 PolarHBondContact O-N 3.12Å; V168-F172 WeakPolarHBondContact O-CB 3.43Å; V168-F172 PolarHBondContact O-N 3.26Å; V168-L192 HydrophobicContact CG1-CB 4.15Å; V168-L192 HydrophobicContact CG2-CB 4.21Å; V168-L192 HydrophobicContact CG2-CD2 4.43Å; V168-K195 HydrophobicContact CG2-CB 4.33Å; V168-K195 HydrophobicContact CG2-CD 4.42Å; V168-L196 HydrophobicContact CB-CD2 3.95Å; V168-L196 HydrophobicContact CG1-CD1 4.35Å; V168-L196 HydrophobicContact CG1-CD2 3.75Å; V168-L196 HydrophobicContact CG1-CG 4.04Å
169Q94.3Very high93.8Very high23 Ų2342.5 Ų42.511%0.10722%0.218CC..Hα-helixtrans-61.4-43.9175.9-67.7179-9.200111.7E165 F172 M173 L196E165-Q169 HydrophobicContact CG-CG 4.17Å; E165-Q169 WeakPolarHBondContact O-CG 3.37Å; E165-Q169 PolarHBondContact O-N 3.35Å; E165-Q169 PolarHBondContact OE1-NE2 3.24Å; Q169-F172 PolarHBondContact O-N 2.75Å; Q169-M173 WeakPolarHBondContact O-CB 2.89Å; Q169-M173 PolarHBondContact O-N 3.07Å; Q169-L196 HydrophobicContact CG-CD2 3.79Å
170L96.2Very high93.9Very high0 Ų041.8 Ų41.80%021%0.214CC..Hα-helixtrans-64-39.9175.2177.354.2000111.7F122 V125 M126 V129 A166 E167 V168 M173 I174 F563F122-L170 HydrophobicContact CB-CD2 4.23Å; F122-L170 HydrophobicContact CD1-CD2 3.89Å; V125-L170 HydrophobicContact CB-CD2 4.16Å; V125-L170 HydrophobicContact CG1-CD1 4.49Å; V125-L170 HydrophobicContact CG1-CD2 3.9Å; V125-L170 HydrophobicContact CG1-CG 4.19Å; M126-L170 HydrophobicContact CB-CD2 4.22Å; M126-L170 HydrophobicContact SD-CD1 3.73Å; V129-L170 HydrophobicContact CG2-CD1 4.13Å; A166-L170 WeakPolarHBondContact O-CB 3.5Å; A166-L170 PolarHBondContact O-N 3.23Å; E167-L170 PolarHBondContact O-N 3.32Å; V168-L170 PolarHBondContact O-N 3.04Å; L170-M173 HydrophobicContact CD1-CE 3.3Å; L170-M173 PolarHBondContact O-N 3.45Å; L170-I174 HydrophobicContact CD1-CD1 4.16Å; L170-I174 HydrophobicContact CD1-CG1 4.38Å; L170-I174 HydrophobicContact CG-CD1 4.19Å; L170-I174 WeakPolarHBondContact O-CD1 3.34Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.41Å; L170-I174 PolarHBondContact O-N 3.27Å; L170-F563 HydrophobicContact CB-CB 4.33Å; L170-F563 HydrophobicContact CB-CD2 3.94Å; L170-F563 HydrophobicContact CB-CG 4.45Å; L170-F563 HydrophobicContact CD1-CB 4.48Å; L170-F563 HydrophobicContact CD2-CD2 3.76Å; L170-F563 HydrophobicContact CD2-CE2 4.02Å; L170-F563 HydrophobicContact CD2-CG 4.13Å; L170-F563 HydrophobicContact CG-CD2 4.42Å
171Y96.9Very high94.2Very high22 Ų2233.9 Ų33.99%0.08618%0.179CC..Hα-helixtrans-62.3-48.4175.9-170.3-154000111.8V153 V157 E167 V168 M173 I174 L175 V187 L192V153-Y171 HydrophobicContact CB-CD2 4.01Å; V153-Y171 HydrophobicContact CB-CG 4.49Å; V153-Y171 HydrophobicContact CG1-CD1 4.23Å; V153-Y171 HydrophobicContact CG1-CD2 3.55Å; V153-Y171 HydrophobicContact CG1-CE2 4.25Å; V153-Y171 HydrophobicContact CG1-CG 3.55Å; V157-Y171 HydrophobicContact CG2-CD1 4.28Å; V157-Y171 HydrophobicContact CG2-CE1 4.12Å; E167-Y171 WeakPolarHBondContact O-CB 3.46Å; E167-Y171 PolarHBondContact O-N 3.39Å; V168-Y171 PolarHBondContact O-N 3.12Å; Y171-M173 VanDerWaalsContact C-N 3.34Å; Y171-M173 PolarHBondContact O-N 3.39Å; Y171-I174 WeakPolarHBondContact O-CB 3.28Å; Y171-I174 PolarHBondContact O-N 3.37Å; Y171-I174 VanDerWaalsContact O-N 3.11Å; Y171-L175 HydrophobicContact CD1-CD1 4.41Å; Y171-L175 HydrophobicContact CD2-CD1 4.13Å; Y171-L175 HydrophobicContact CD2-CG 4.07Å; Y171-L175 HydrophobicContact CE1-CD1 4.09Å; Y171-L175 HydrophobicContact CE2-CD1 3.77Å; Y171-L175 HydrophobicContact CE2-CD2 3.91Å; Y171-L175 HydrophobicContact CE2-CG 3.77Å; Y171-L175 HydrophobicContact CG-CD1 4.43Å; Y171-L175 PolarHBondContact O-N 2.92Å; Y171-V187 HydrophobicContact CD1-CG1 3.87Å; Y171-V187 HydrophobicContact CD1-CG2 3.98Å; Y171-V187 HydrophobicContact CE1-CB 4.44Å; Y171-V187 HydrophobicContact CE1-CG1 4.16Å; Y171-V187 HydrophobicContact CE1-CG2 3.41Å; Y171-V187 VanDerWaalsContact CE1-CG2 3.41Å; Y171-L192 HydrophobicContact CD1-CD1 4.36Å
172F95.7Very high94.3Very high6 Ų634 Ų343%0.02618%0.18CC..Hα-helixtrans-56.3-46.7175.2175-97.4000111.8V168 Q169 I174 L175 E176 A184 I188 K206 M209 L210V168-F172 WeakPolarHBondContact O-CB 3.43Å; V168-F172 PolarHBondContact O-N 3.26Å; Q169-F172 PolarHBondContact O-N 2.75Å; F172-I174 VanDerWaalsContact C-N 3.26Å; F172-I174 PolarHBondContact O-N 3.2Å; F172-L175 PolarHBondContact O-N 2.92Å; F172-E176 VanDerWaalsContact O-CB 3.3Å; F172-E176 WeakPolarHBondContact O-CB 3.41Å; F172-E176 PolarHBondContact O-N 3.04Å; F172-A184 HydrophobicContact CD2-CB 4.27Å; F172-A184 HydrophobicContact CE2-CB 4.37Å; F172-I188 HydrophobicContact CB-CD1 4.25Å; F172-I188 HydrophobicContact CD2-CD1 3.53Å; F172-I188 HydrophobicContact CD2-CG1 3.48Å; F172-I188 VanDerWaalsContact CD2-CG1 3.48Å; F172-I188 HydrophobicContact CE2-CD1 4.07Å; F172-I188 HydrophobicContact CE2-CG1 3.74Å; F172-I188 HydrophobicContact CG-CD1 4.05Å; F172-I188 HydrophobicContact CG-CG1 4.46Å; F172-K206 HydrophobicContact CD1-CD 3.91Å; F172-K206 HydrophobicContact CD2-CD 4.34Å; F172-K206 HydrophobicContact CE1-CB 4.49Å; F172-K206 HydrophobicContact CE1-CD 3.72Å; F172-K206 HydrophobicContact CE1-CG 3.83Å; F172-K206 HydrophobicContact CE2-CB 3.96Å; F172-K206 HydrophobicContact CE2-CD 4.14Å; F172-K206 HydrophobicContact CE2-CG 4.16Å; F172-K206 HydrophobicContact CG-CD 4.2Å; F172-K206 HydrophobicContact CZ-CB 3.77Å; F172-K206 HydrophobicContact CZ-CD 3.82Å; F172-K206 HydrophobicContact CZ-CG 3.6Å; F172-M209 HydrophobicContact CE1-CE 4.18Å; F172-M209 HydrophobicContact CE2-CE 4.4Å; F172-M209 HydrophobicContact CZ-CE 3.5Å; F172-L210 HydrophobicContact CE2-CD1 3.87Å; F172-L210 HydrophobicContact CE2-CG 4.28Å
173M95.5Very high94.5Very high11 Ų1137.4 Ų37.45%0.05420%0.196CC..Hα-helixtrans-59.6-35.8177.2178.1177.554.200112.5M126 V129 Q169 L170 Y171 R177 P567M126-M173 HydrophobicContact CE-CE 3.92Å; M126-M173 HydrophobicContact SD-CE 3.6Å; M126-M173 VanDerWaalsContact SD-CE 3.6Å; V129-M173 HydrophobicContact CG1-CE 4.04Å; V129-M173 HydrophobicContact CG1-SD 4.44Å; Q169-M173 WeakPolarHBondContact O-CB 2.89Å; Q169-M173 PolarHBondContact O-N 3.07Å; L170-M173 HydrophobicContact CD1-CE 3.3Å; L170-M173 PolarHBondContact O-N 3.45Å; Y171-M173 VanDerWaalsContact C-N 3.34Å; Y171-M173 PolarHBondContact O-N 3.39Å; M173-R177 WeakPolarHBondContact O-CB 3.45Å; M173-R177 VanDerWaalsContact O-CG 3.25Å; M173-R177 WeakPolarHBondContact O-CG 3.41Å; M173-R177 PolarHBondContact O-N 3.16Å; M173-R177 VanDerWaalsContact O-N 3.13Å; M173-P567 HydrophobicContact SD-CG 4.22Å
174I97.3Very high94.9Very high0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-68.1-49.6176.8-69.1160.4000110.6V125 V129 A149 E150 V153 L170 Y171 F172 E176 R177 L178V125-I174 HydrophobicContact CG1-CD1 3.64Å; V129-I174 HydrophobicContact CG2-CD1 4.09Å; V129-I174 HydrophobicContact CG2-CG1 3.62Å; A149-I174 HydrophobicContact CB-CD1 3.91Å; A149-I174 HydrophobicContact CB-CG1 4.26Å; A149-I174 HydrophobicContact CB-CG2 4.41Å; E150-I174 HydrophobicContact CB-CG2 3.84Å; V153-I174 HydrophobicContact CG2-CD1 3.77Å; L170-I174 HydrophobicContact CD1-CD1 4.16Å; L170-I174 HydrophobicContact CD1-CG1 4.38Å; L170-I174 HydrophobicContact CG-CD1 4.19Å; L170-I174 WeakPolarHBondContact O-CD1 3.34Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.41Å; L170-I174 PolarHBondContact O-N 3.27Å; Y171-I174 WeakPolarHBondContact O-CB 3.28Å; Y171-I174 PolarHBondContact O-N 3.37Å; Y171-I174 VanDerWaalsContact O-N 3.11Å; F172-I174 VanDerWaalsContact C-N 3.26Å; F172-I174 PolarHBondContact O-N 3.2Å; I174-E176 VanDerWaalsContact C-N 3.32Å; I174-E176 PolarHBondContact O-N 3.34Å; I174-R177 PolarHBondContact O-N 3.38Å; I174-L178 HydrophobicContact CG2-CD1 3.89Å; I174-L178 WeakPolarHBondContact O-CG 3.42Å; I174-L178 PolarHBondContact O-N 3.28Å
175L96.6Very high95.2Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-62.1-41.6179.6-66.4173.5000111.6E150 Y171 F172 R177 L178 G179 K180 E183 A184 V187E150-L175 VanDerWaalsContact OE1-CD2 3.26Å; E150-L175 WeakPolarHBondContact OE1-CD2 3.37Å; Y171-L175 HydrophobicContact CD1-CD1 4.41Å; Y171-L175 HydrophobicContact CD2-CD1 4.13Å; Y171-L175 HydrophobicContact CD2-CG 4.07Å; Y171-L175 HydrophobicContact CE1-CD1 4.09Å; Y171-L175 HydrophobicContact CE2-CD1 3.77Å; Y171-L175 HydrophobicContact CE2-CD2 3.91Å; Y171-L175 HydrophobicContact CE2-CG 3.77Å; Y171-L175 HydrophobicContact CG-CD1 4.43Å; Y171-L175 PolarHBondContact O-N 2.92Å; F172-L175 PolarHBondContact O-N 2.92Å; L175-R177 VanDerWaalsContact C-N 3.35Å; L175-R177 PolarHBondContact O-N 2.93Å; L175-L178 PolarHBondContact O-N 3.17Å; L175-G179 PolarHBondContact O-N 3.28Å; L175-K180 HydrophobicContact CD2-CB 4.23Å; L175-K180 HydrophobicContact CD2-CD 4.23Å; L175-K180 PolarHBondContact O-N 3.29Å; L175-E183 HydrophobicContact CD2-CB 4.34Å; L175-A184 HydrophobicContact CB-CB 3.83Å; L175-A184 HydrophobicContact CD1-CB 4.2Å; L175-V187 HydrophobicContact CD1-CB 4.48Å; L175-V187 HydrophobicContact CD1-CG2 3.91Å
176E94.4Very high95.3Very high53 Ų5332.3 Ų32.325%0.24817%0.168CC..Hα-helixtrans-58.2-47175.5-169.1-164.2-178.600111.2F172 I174 L178 G179 M209 R213F172-E176 VanDerWaalsContact O-CB 3.3Å; F172-E176 WeakPolarHBondContact O-CB 3.41Å; F172-E176 PolarHBondContact O-N 3.04Å; I174-E176 VanDerWaalsContact C-N 3.32Å; I174-E176 PolarHBondContact O-N 3.34Å; E176-L178 VanDerWaalsContact C-N 3.31Å; E176-L178 PolarHBondContact O-N 3.05Å; E176-G179 PolarHBondContact O-N 2.93Å; E176-M209 HydrophobicContact CG-CE 4.05Å; E176-R213 IonicContact OE1-CZ 3.72Å; E176-R213 IonicContact OE1-NH1 3.61Å; E176-R213 PolarHBondContact OE1-NH1 3.08Å; E176-R213 VanDerWaalsContact OE1-NH1 3.12Å; E176-R213 IonicContact OE1-NH2 2.72Å; E176-R213 PolarHBondContact OE1-NH2 3.35Å
177R92.2Very high95.3Very high98 Ų9832.3 Ų32.337%0.3717%0.166SC..Hα-helixtrans-69.7-27.1-179.9-74.6-178.7177.4-74.3-4.7113.7Q142 L146 M173 I174 L175Q142-R177 PolarHBondContact NE2-O 3.27Å; Q142-R177 PolarHBondContact OE1-O 2.76Å; L146-R177 HydrophobicContact CD1-CB 3.82Å; L146-R177 HydrophobicContact CD2-CB 4.15Å; M173-R177 WeakPolarHBondContact O-CB 3.45Å; M173-R177 VanDerWaalsContact O-CG 3.25Å; M173-R177 WeakPolarHBondContact O-CG 3.41Å; M173-R177 PolarHBondContact O-N 3.16Å; M173-R177 VanDerWaalsContact O-N 3.13Å; I174-R177 PolarHBondContact O-N 3.38Å; L175-R177 VanDerWaalsContact C-N 3.35Å; L175-R177 PolarHBondContact O-N 2.93Å
178L94.1Very high95.3Very high31 Ų3131.8 Ų31.816%0.16216%0.164CC..THydrogen-bonded Turntrans-77.7-8171.9-74.3167.2000112.9L146 P147 E150 I174 L175 E176 K180L146-L178 HydrophobicContact CB-CD1 4.31Å; L146-L178 HydrophobicContact CB-CD2 3.43Å; L146-L178 VanDerWaalsContact CB-CD2 3.43Å; L146-L178 HydrophobicContact CB-CG 3.77Å; L146-L178 HydrophobicContact CD1-CD2 4.3Å; L146-L178 HydrophobicContact CD1-CG 4.47Å; P147-L178 HydrophobicContact CG-CD2 3.95Å; E150-L178 HydrophobicContact CB-CD1 3.9Å; E150-L178 HydrophobicContact CG-CD1 4.36Å; I174-L178 HydrophobicContact CG2-CD1 3.89Å; I174-L178 WeakPolarHBondContact O-CG 3.42Å; I174-L178 PolarHBondContact O-N 3.28Å; L175-L178 PolarHBondContact O-N 3.17Å; E176-L178 VanDerWaalsContact C-N 3.31Å; E176-L178 PolarHBondContact O-N 3.05Å; L178-K180 HydrophobicContact CB-CB 4.42Å; L178-K180 HydrophobicContact CB-CD 3.76Å; L178-K180 HydrophobicContact CB-CG 4.02Å; L178-K180 HydrophobicContact CD1-CD 3.92Å; L178-K180 HydrophobicContact CG-CD 4.43Å; L178-K180 PolarHBondContact O-N 3.43Å
179G93.4Very high95.2Very high52 Ų5235.3 Ų35.354%0.53618%0.177SC..THydrogen-bonded Turntrans72.710.9-174.300000113.9L175 E176 C181L175-G179 PolarHBondContact O-N 3.28Å; E176-G179 PolarHBondContact O-N 2.93Å; G179-C181 PolarHBondContact O-N 3.25Å
180K96.1Very high95.1Very high64 Ų6435.2 Ų35.228%0.27818%0.182SC..  trans-8063.9-178.8-74.5167.3148.2-122.60111.3E150 L175 L178 E182 E183 A184E150-K180 VanDerWaalsContact CD-NZ 3.3Å; E150-K180 VanDerWaalsContact OE1-CD 3.27Å; E150-K180 WeakPolarHBondContact OE1-CD 3.37Å; E150-K180 WeakPolarHBondContact OE1-CE 3.24Å; E150-K180 IonicContact OE1-NZ 3.06Å; E150-K180 PolarHBondContact OE1-NZ 2.99Å; E150-K180 IonicContact OE2-NZ 3.09Å; E150-K180 PolarHBondContact OE2-NZ 3.46Å; L175-K180 HydrophobicContact CD2-CB 4.23Å; L175-K180 HydrophobicContact CD2-CD 4.23Å; L175-K180 PolarHBondContact O-N 3.29Å; L178-K180 HydrophobicContact CB-CB 4.42Å; L178-K180 HydrophobicContact CB-CD 3.76Å; L178-K180 HydrophobicContact CB-CG 4.02Å; L178-K180 HydrophobicContact CD1-CD 3.92Å; L178-K180 HydrophobicContact CG-CD 4.43Å; L178-K180 PolarHBondContact O-N 3.43Å; K180-E182 PolarHBondContact O-N 3.08Å; K180-E183 HydrophobicContact CB-CB 4.36Å; K180-E183 VanDerWaalsContact CB-OE2 3.3Å; K180-E183 WeakPolarHBondContact CB-OE2 3.48Å; K180-E183 WeakPolarHBondContact CD-OE2 3.28Å; K180-E183 VanDerWaalsContact CE-OE2 3.28Å; K180-E183 WeakPolarHBondContact CE-OE2 3.48Å; K180-E183 VanDerWaalsContact CG-OE2 3.28Å; K180-E183 WeakPolarHBondContact CG-OE2 3.41Å; K180-E183 IonicContact NZ-OE1 2.7Å; K180-E183 IonicContact NZ-OE2 3.46Å; K180-E183 PolarHBondContact NZ-OE2 2.81Å; K180-E183 PolarHBondContact O-N 3.06Å; K180-A184 WeakPolarHBondContact O-CB 3.43Å; K180-A184 PolarHBondContact O-N 3.21Å
181C95.6Very high94.9Very high17 Ų1740.1 Ų40.112%0.11521%0.214CC..Hα-helixtrans-66.9-34.6-169.7-63.10000113.3G179 L185 L210 L214G179-C181 PolarHBondContact O-N 3.25Å; C181-L185 WeakPolarHBondContact O-CB 3.41Å; C181-L185 PolarHBondContact O-N 2.96Å; C181-L210 HydrophobicContact CB-CD2 4.01Å; C181-L214 HydrophobicContact CB-CD1 4.24Å; C181-L214 HydrophobicContact CB-CD2 3.56Å; C181-L214 HydrophobicContact CB-CG 3.79Å
182E96.2Very high94.7Very high79 Ų7940.7 Ų40.737%0.36922%0.218SC..Hα-helixtrans-62.7-51.9175.6-70.8-66.4173.400111.8K180 A184 L185 D186 L214 R216K180-E182 PolarHBondContact O-N 3.08Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 2.76Å; E182-L185 WeakPolarHBondContact O-CB 3.42Å; E182-L185 PolarHBondContact O-N 3.01Å; E182-D186 PolarHBondContact O-N 3.46Å; E182-L214 HydrophobicContact CG-CD1 4.45Å; E182-L214 HydrophobicContact CG-CD2 3.91Å; E182-R216 IonicContact OE1-CZ 2.64Å; E182-R216 IonicContact OE1-NE 3.65Å; E182-R216 IonicContact OE1-NH2 3.44Å; E182-R216 PolarHBondContact OE1-NH2 3.5Å; E182-R216 IonicContact OE2-CZ 3.88Å; E182-R216 VanDerWaalsContact OE2-CZ 3.3Å; E182-R216 IonicContact OE2-NH1 3.98Å; E182-R216 IonicContact OE2-NH2 3.74Å; E182-R216 PolarHBondContact OE2-NH2 3.14Å
183E95.9Very high94.5Very high83 Ų8340.4 Ų40.439%0.38822%0.218SC..Hα-helixtrans-63.9-38.1179.5-65.2152.3-160.700111L175 K180 L185 D186 V187L175-E183 HydrophobicContact CD2-CB 4.34Å; K180-E183 HydrophobicContact CB-CB 4.36Å; K180-E183 VanDerWaalsContact CB-OE2 3.3Å; K180-E183 WeakPolarHBondContact CB-OE2 3.48Å; K180-E183 WeakPolarHBondContact CD-OE2 3.28Å; K180-E183 VanDerWaalsContact CE-OE2 3.28Å; K180-E183 WeakPolarHBondContact CE-OE2 3.48Å; K180-E183 VanDerWaalsContact CG-OE2 3.28Å; K180-E183 WeakPolarHBondContact CG-OE2 3.41Å; K180-E183 IonicContact NZ-OE1 2.7Å; K180-E183 IonicContact NZ-OE2 3.46Å; K180-E183 PolarHBondContact NZ-OE2 2.81Å; K180-E183 PolarHBondContact O-N 3.06Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.87Å; E183-D186 PolarHBondContact O-N 2.68Å; E183-V187 VanDerWaalsContact O-CG2 3.3Å; E183-V187 WeakPolarHBondContact O-CG2 3.34Å; E183-V187 PolarHBondContact O-N 2.89Å; E183-V187 VanDerWaalsContact O-N 3.1Å
184A96.4Very high94.2Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-61.6-40.5172.900000111.8F172 L175 K180 E182 V187 I188 L210F172-A184 HydrophobicContact CD2-CB 4.27Å; F172-A184 HydrophobicContact CE2-CB 4.37Å; L175-A184 HydrophobicContact CB-CB 3.83Å; L175-A184 HydrophobicContact CD1-CB 4.2Å; K180-A184 WeakPolarHBondContact O-CB 3.43Å; K180-A184 PolarHBondContact O-N 3.21Å; E182-A184 VanDerWaalsContact C-N 3.3Å; E182-A184 PolarHBondContact O-N 2.76Å; A184-V187 PolarHBondContact O-N 2.66Å; A184-I188 VanDerWaalsContact O-CG1 3.26Å; A184-I188 WeakPolarHBondContact O-CG1 3.46Å; A184-I188 PolarHBondContact O-N 3.12Å; A184-I188 VanDerWaalsContact O-N 3.1Å; A184-L210 HydrophobicContact CB-CD1 3.98Å; A184-L210 HydrophobicContact CB-CD2 3.93Å
185L95.8Very high93.8Very high1 Ų150.9 Ų50.91%0.00527%0.265CS..Hα-helixtrans-64.9-44.2178.5-175.663.9000111.2C181 E182 E183 V187 I188 R189 L210 Y211 L214 R216C181-L185 WeakPolarHBondContact O-CB 3.41Å; C181-L185 PolarHBondContact O-N 2.96Å; E182-L185 WeakPolarHBondContact O-CB 3.42Å; E182-L185 PolarHBondContact O-N 3.01Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.87Å; L185-V187 VanDerWaalsContact C-N 3.3Å; L185-V187 PolarHBondContact O-N 3.17Å; L185-I188 PolarHBondContact O-N 2.93Å; L185-R189 HydrophobicContact CD1-CG 3.97Å; L185-R189 HydrophobicContact CG-CG 4.28Å; L185-R189 WeakPolarHBondContact O-CB 3.34Å; L185-R189 WeakPolarHBondContact O-CG 3.38Å; L185-R189 PolarHBondContact O-N 3.47Å; L185-L210 VanDerWaalsContact CA-CD1 3.48Å; L185-L210 HydrophobicContact CB-CD1 3.87Å; L185-L210 HydrophobicContact CD1-CB 4.18Å; L185-L210 HydrophobicContact CD1-CD1 4.04Å; L185-Y211 HydrophobicContact CD1-CD1 4.31Å; L185-Y211 HydrophobicContact CD1-CE1 3.8Å; L185-Y211 HydrophobicContact CD2-CD1 4.07Å; L185-Y211 HydrophobicContact CD2-CE1 3.63Å; L185-Y211 HydrophobicContact CG-CE1 4.33Å; L185-L214 HydrophobicContact CD2-CD1 4.02Å; L185-R216 VanDerWaalsContact CD2-NH1 3.25Å
186D94.9Very high93.5Very high109 Ų10951.5 Ų51.558%0.58327%0.268SS*.Hα-helixtrans-60.5-40.4177.2-71.6-19.4000111.8E182 E183 G190E182-D186 PolarHBondContact O-N 3.46Å; E183-D186 PolarHBondContact O-N 2.68Å; D186-G190 WeakPolarHBondContact O-CA 3.46Å; D186-G190 PolarHBondContact O-N 3.39Å
187V94.8Very high93.1Very high18 Ų1854.3 Ų54.311%0.10929%0.289CS..Hα-helixtrans-63-45.1176.4168.90000111.8Y171 L175 E183 A184 L185 L192 G193Y171-V187 HydrophobicContact CD1-CG1 3.87Å; Y171-V187 HydrophobicContact CD1-CG2 3.98Å; Y171-V187 HydrophobicContact CE1-CB 4.44Å; Y171-V187 HydrophobicContact CE1-CG1 4.16Å; Y171-V187 HydrophobicContact CE1-CG2 3.41Å; Y171-V187 VanDerWaalsContact CE1-CG2 3.41Å; L175-V187 HydrophobicContact CD1-CB 4.48Å; L175-V187 HydrophobicContact CD1-CG2 3.91Å; E183-V187 VanDerWaalsContact O-CG2 3.3Å; E183-V187 WeakPolarHBondContact O-CG2 3.34Å; E183-V187 PolarHBondContact O-N 2.89Å; E183-V187 VanDerWaalsContact O-N 3.1Å; A184-V187 PolarHBondContact O-N 2.66Å; L185-V187 VanDerWaalsContact C-N 3.3Å; L185-V187 PolarHBondContact O-N 3.17Å; V187-L192 HydrophobicContact CG1-CB 4.22Å; V187-L192 HydrophobicContact CG1-CD1 4.16Å; V187-G193 PolarHBondContact O-N 3.07Å
188I95Very high92.7Very high0 Ų054.2 Ų54.20%030%0.304CS..Hα-helixtrans-74.7-33.7-177.8-62.8-64.9000111.8F172 A184 L185 G193 L196 R203 K206F172-I188 HydrophobicContact CB-CD1 4.25Å; F172-I188 HydrophobicContact CD2-CD1 3.53Å; F172-I188 HydrophobicContact CD2-CG1 3.48Å; F172-I188 VanDerWaalsContact CD2-CG1 3.48Å; F172-I188 HydrophobicContact CE2-CD1 4.07Å; F172-I188 HydrophobicContact CE2-CG1 3.74Å; F172-I188 HydrophobicContact CG-CD1 4.05Å; F172-I188 HydrophobicContact CG-CG1 4.46Å; A184-I188 VanDerWaalsContact O-CG1 3.26Å; A184-I188 WeakPolarHBondContact O-CG1 3.46Å; A184-I188 PolarHBondContact O-N 3.12Å; A184-I188 VanDerWaalsContact O-N 3.1Å; L185-I188 PolarHBondContact O-N 2.93Å; I188-G193 WeakPolarHBondContact O-CA 3.47Å; I188-L196 HydrophobicContact CD1-CD1 3.45Å; I188-L196 VanDerWaalsContact CD1-CD1 3.45Å; I188-R203 HydrophobicContact CG2-CG 3.74Å; I188-R203 PolarHBondContact O-NE 2.9Å; I188-K206 HydrophobicContact CD1-CB 4.43Å; I188-K206 HydrophobicContact CD1-CD 3.93Å; I188-K206 HydrophobicContact CG1-CB 4.41Å; I188-K206 HydrophobicContact CG2-CB 4.17Å
189R93.3Very high92.3Very high75 Ų7556.1 Ų56.128%0.28331%0.312SS..Hα-helixtrans-79.7-29.6176.8-69.2-169.475.6174.88.9112.6L185 R203 Y211 S263 E264L185-R189 HydrophobicContact CD1-CG 3.97Å; L185-R189 HydrophobicContact CG-CG 4.28Å; L185-R189 WeakPolarHBondContact O-CB 3.34Å; L185-R189 WeakPolarHBondContact O-CG 3.38Å; L185-R189 PolarHBondContact O-N 3.47Å; R189-R203 PolarHBondContact O-NH2 2.84Å; R189-Y211 WeakPolarHBondContact CD-OH 3.33Å; R189-Y211 VanDerWaalsContact CZ-OH 3.26Å; R189-Y211 PolarHBondContact NE-OH 3Å; R189-Y211 PolarHBondContact NH1-OH 3.33Å; R189-Y211 VanDerWaalsContact NH1-OH 3.1Å; R189-S263 PolarHBondContact NH1-OG 3.37Å; R189-S263 PolarHBondContact NH2-O 3.15Å; R189-S263 PolarHBondContact NH2-OG 3.34Å; R189-E264 IonicContact CZ-OE1 2.92Å; R189-E264 IonicContact NE-OE1 3.54Å; R189-E264 IonicContact NH2-OE1 3.12Å
190G92Very high91.9Very high21 Ų2160.4 Ų60.422%0.21632%0.321CS..SBendtrans-78.6-168.4179.700000115D186 L192 G193D186-G190 WeakPolarHBondContact O-CA 3.46Å; D186-G190 PolarHBondContact O-N 3.39Å; G190-L192 VanDerWaalsContact C-N 3.28Å; G190-L192 PolarHBondContact O-N 3.13Å; G190-G193 PolarHBondContact O-N 3.37Å
191P91.2Very high91.5Very high103 Ų10358.7 Ų58.767%0.66932%0.315SS*.THydrogen-bonded Turntrans-62.3-28.1-172.7-24.333.9000114.8G193 E194P191-G193 VanDerWaalsContact C-N 3.3Å; P191-G193 PolarHBondContact O-N 3.35Å; P191-E194 WeakPolarHBondContact O-CB 3.22Å; P191-E194 PolarHBondContact O-N 3Å
192L92.2Very high91.2Very high33 Ų3358 Ų5817%0.17331%0.31CS..THydrogen-bonded Turntrans-67.6-33.5176.9-67.1-178.7000111.6V157 I162 V168 Y171 V187 G190 E194 K195V157-L192 HydrophobicContact CG1-CD1 4.23Å; V157-L192 HydrophobicContact CG2-CD1 4.17Å; I162-L192 HydrophobicContact CB-CD2 4.26Å; I162-L192 HydrophobicContact CG2-CD2 4.06Å; V168-L192 HydrophobicContact CG1-CB 4.15Å; V168-L192 HydrophobicContact CG2-CB 4.21Å; V168-L192 HydrophobicContact CG2-CD2 4.43Å; Y171-L192 HydrophobicContact CD1-CD1 4.36Å; V187-L192 HydrophobicContact CG1-CB 4.22Å; V187-L192 HydrophobicContact CG1-CD1 4.16Å; G190-L192 VanDerWaalsContact C-N 3.28Å; G190-L192 PolarHBondContact O-N 3.13Å; L192-E194 VanDerWaalsContact C-N 3.25Å; L192-E194 PolarHBondContact O-N 3.11Å; L192-K195 WeakPolarHBondContact O-CB 3.46Å; L192-K195 PolarHBondContact O-N 2.76Å; L192-K195 VanDerWaalsContact O-N 3.14Å
193G90.9Very high91Very high1 Ų158.3 Ų58.31%0.0131%0.308CS..G310 helixtrans-64.6-26.5175.900000114V187 I188 G190 P191 K195 L196V187-G193 PolarHBondContact O-N 3.07Å; I188-G193 WeakPolarHBondContact O-CA 3.47Å; G190-G193 PolarHBondContact O-N 3.37Å; P191-G193 VanDerWaalsContact C-N 3.3Å; P191-G193 PolarHBondContact O-N 3.35Å; G193-K195 PolarHBondContact O-N 3.48Å; G193-L196 WeakPolarHBondContact O-CB 3.5Å; G193-L196 PolarHBondContact O-N 3.09Å; G193-L196 VanDerWaalsContact O-N 3.09Å
194E89.5Confident90.8Very high150 Ų15057.2 Ų57.270%0.70130%0.302SS*.G310 helixtrans-65-21174.9-60.3-176.8170.500112.5P191 L192 L196 T197P191-E194 WeakPolarHBondContact O-CB 3.22Å; P191-E194 PolarHBondContact O-N 3Å; L192-E194 VanDerWaalsContact C-N 3.25Å; L192-E194 PolarHBondContact O-N 3.11Å; E194-L196 VanDerWaalsContact C-N 3.32Å; E194-T197 VanDerWaalsContact O-CG2 3.3Å; E194-T197 WeakPolarHBondContact O-CG2 3.29Å
195K90.1Very high90.6Very high81 Ų8161.8 Ų61.835%0.35232%0.32SS..G310 helixtrans-78.3-14175.6-57-169.2177.3-158.10113.3I162 V168 L192 G193 T197I162-K195 PolarHBondContact O-NZ 3.33Å; V168-K195 HydrophobicContact CG2-CB 4.33Å; V168-K195 HydrophobicContact CG2-CD 4.42Å; L192-K195 WeakPolarHBondContact O-CB 3.46Å; L192-K195 PolarHBondContact O-N 2.76Å; L192-K195 VanDerWaalsContact O-N 3.14Å; G193-K195 PolarHBondContact O-N 3.48Å; K195-T197 VanDerWaalsContact C-N 3.34Å; K195-T197 PolarHBondContact O-N 2.89Å
196L89.8Confident90.5Very high12 Ų1262.4 Ų62.46%0.06332%0.322CS..  trans-79.479.5178.7-60.8-179.3000110.3E165 V168 Q169 I188 G193 E194 K206E165-L196 HydrophobicContact CG-CD2 3.82Å; V168-L196 HydrophobicContact CB-CD2 3.95Å; V168-L196 HydrophobicContact CG1-CD1 4.35Å; V168-L196 HydrophobicContact CG1-CD2 3.75Å; V168-L196 HydrophobicContact CG1-CG 4.04Å; Q169-L196 HydrophobicContact CG-CD2 3.79Å; I188-L196 HydrophobicContact CD1-CD1 3.45Å; I188-L196 VanDerWaalsContact CD1-CD1 3.45Å; G193-L196 WeakPolarHBondContact O-CB 3.5Å; G193-L196 PolarHBondContact O-N 3.09Å; G193-L196 VanDerWaalsContact O-N 3.09Å; E194-L196 VanDerWaalsContact C-N 3.32Å; L196-K206 HydrophobicContact CD1-CD 4.23Å
197T86.2Confident90.5Very high113 Ų11357.4 Ų57.469%0.69330%0.296SS*.  trans-115.1-17.2-170.659.30000113.8E165 E194 K195 E199E165-T197 PolarHBondContact OE2-N 3.37Å; E194-T197 VanDerWaalsContact O-CG2 3.3Å; E194-T197 WeakPolarHBondContact O-CG2 3.29Å; K195-T197 VanDerWaalsContact C-N 3.34Å; K195-T197 PolarHBondContact O-N 2.89Å; T197-E199 PolarHBondContact O-N 2.95Å
198S84.1Confident90.4Very high96 Ų9657 Ų5767%0.67129%0.293SS*.SBendtrans-69-31.1-173.6-175.20000113.7E165E165-S198 PolarHBondContact OE1-N 3.48Å; E165-S198 WeakPolarHBondContact OE2-CB 3.23Å; E165-S198 PolarHBondContact OE2-N 3.1Å
199E85.5Confident90.4Very high71 Ų7159.6 Ų59.633%0.33231%0.306SS..SBendtrans-110135.8-179.5-64.8-176.9173.400111.9T197 Q201 S202 R205T197-E199 PolarHBondContact O-N 2.95Å; E199-Q201 PolarHBondContact O-N 3.35Å; E199-S202 PolarHBondContact O-N 3.3Å; E199-R205 IonicContact OE2-NH2 3.64Å; E199-R205 PolarHBondContact OE2-NH2 2.72Å
200L85.1Confident90.5Very high141 Ų14156 Ų5674%0.73829%0.292SS*.THydrogen-bonded Turntrans-58.4126.4174.5-176.967.3000110.2S202L200-S202 PolarHBondContact O-N 3.5Å
201Q87.7Confident90.7Very high29 Ų2955 Ų5514%0.13628%0.282CS..THydrogen-bonded Turntrans56.325.7179.8-61.7160.2-3200114.3E199 R203 E204 R205 D234E199-Q201 PolarHBondContact O-N 3.35Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.1Å; Q201-E204 VanDerWaalsContact CA-OE2 3.28Å; Q201-E204 WeakPolarHBondContact CA-OE2 3.34Å; Q201-E204 HydrophobicContact CB-CB 4.37Å; Q201-E204 PolarHBondContact O-N 2.95Å; Q201-R205 WeakPolarHBondContact O-CB 3.36Å; Q201-R205 WeakPolarHBondContact O-CG 3.44Å; Q201-R205 PolarHBondContact O-N 2.72Å; Q201-D234 PolarHBondContact NE2-OD2 3.27Å; Q201-D234 PolarHBondContact OE1-OD2 2.92Å
202S89.3Confident90.9Very high3 Ų352.8 Ų52.82%0.02127%0.267CS..Hα-helixtrans-54.8-46.4179.3-159.20000112.1E199 L200 K206E199-S202 PolarHBondContact O-N 3.3Å; L200-S202 PolarHBondContact O-N 3.5Å; S202-K206 WeakPolarHBondContact O-CB 3.35Å; S202-K206 VanDerWaalsContact O-CG 3.32Å; S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 3.16Å
203R91.7Very high91Very high85 Ų8557.1 Ų57.132%0.32128%0.281SS..Hα-helixtrans-62.1-50.2179.4-177.3174.3179-114.79.1111I188 R189 Q201 R205 K206 C207I188-R203 HydrophobicContact CG2-CG 3.74Å; I188-R203 PolarHBondContact O-NE 2.9Å; R189-R203 PolarHBondContact O-NH2 2.84Å; Q201-R203 VanDerWaalsContact C-N 3.29Å; Q201-R203 PolarHBondContact O-N 3.1Å; R203-R205 PolarHBondContact O-N 3.43Å; R203-K206 PolarHBondContact O-N 3.45Å; R203-C207 PolarHBondContact O-N 3.3Å; R203-C207 PolarHBondContact O-SG 3.35Å; R203-C207 VanDerWaalsContact O-SG 3.37Å
204E92.1Very high91.2Very high59 Ų5959.2 Ų59.228%0.27629%0.291SS..Hα-helixtrans-64.7-39.4-178.6-67.984.9174.900112.5Q201 C207 M208 L223 L227Q201-E204 VanDerWaalsContact CA-OE2 3.28Å; Q201-E204 WeakPolarHBondContact CA-OE2 3.34Å; Q201-E204 HydrophobicContact CB-CB 4.37Å; Q201-E204 PolarHBondContact O-N 2.95Å; E204-C207 PolarHBondContact O-N 3.09Å; E204-M208 WeakPolarHBondContact O-CB 3.36Å; E204-M208 PolarHBondContact O-N 3.04Å; E204-L223 HydrophobicContact CG-CD1 4.19Å; E204-L227 HydrophobicContact CB-CD1 3.87Å; E204-L227 HydrophobicContact CB-CD2 4.49Å; E204-L227 HydrophobicContact CG-CD1 4.22Å; E204-L227 HydrophobicContact CG-CD2 4.12Å
205R91.8Very high91.5Very high96 Ų9658.2 Ų58.236%0.36229%0.287SS..Hα-helixtrans-62.5-43174-71.2-171.7-59.5-151.95.3111.8E199 Q201 R203 M208 M209E199-R205 IonicContact OE2-NH2 3.64Å; E199-R205 PolarHBondContact OE2-NH2 2.72Å; Q201-R205 WeakPolarHBondContact O-CB 3.36Å; Q201-R205 WeakPolarHBondContact O-CG 3.44Å; Q201-R205 PolarHBondContact O-N 2.72Å; R203-R205 PolarHBondContact O-N 3.43Å; R205-M208 PolarHBondContact O-N 3.43Å; R205-M209 PolarHBondContact O-N 3Å
206K93.1Very high91.8Very high14 Ų1457.7 Ų57.76%0.06128%0.283CS..Hα-helixtrans-66.3-42.2176.8-72179.1179.8-176.10111.7F172 I188 L196 S202 R203 M209 L210 E564F172-K206 HydrophobicContact CD1-CD 3.91Å; F172-K206 HydrophobicContact CD2-CD 4.34Å; F172-K206 HydrophobicContact CE1-CB 4.49Å; F172-K206 HydrophobicContact CE1-CD 3.72Å; F172-K206 HydrophobicContact CE1-CG 3.83Å; F172-K206 HydrophobicContact CE2-CB 3.96Å; F172-K206 HydrophobicContact CE2-CD 4.14Å; F172-K206 HydrophobicContact CE2-CG 4.16Å; F172-K206 HydrophobicContact CG-CD 4.2Å; F172-K206 HydrophobicContact CZ-CB 3.77Å; F172-K206 HydrophobicContact CZ-CD 3.82Å; F172-K206 HydrophobicContact CZ-CG 3.6Å; I188-K206 HydrophobicContact CD1-CB 4.43Å; I188-K206 HydrophobicContact CD1-CD 3.93Å; I188-K206 HydrophobicContact CG1-CB 4.41Å; I188-K206 HydrophobicContact CG2-CB 4.17Å; L196-K206 HydrophobicContact CD1-CD 4.23Å; S202-K206 WeakPolarHBondContact O-CB 3.35Å; S202-K206 VanDerWaalsContact O-CG 3.32Å; S202-K206 WeakPolarHBondContact O-CG 3.47Å; S202-K206 PolarHBondContact O-N 3.16Å; R203-K206 PolarHBondContact O-N 3.45Å; K206-M209 PolarHBondContact O-N 2.92Å; K206-L210 VanDerWaalsContact O-CG 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.48Å; K206-L210 PolarHBondContact O-N 3.09Å; K206-L210 VanDerWaalsContact O-N 3.08Å; K206-E564 IonicContact NZ-OE2 3.14Å
207C94.6Very high92.1Very high4 Ų458 Ų583%0.02728%0.283CS..Hα-helixtrans-59.8-47.5172.3-71.80000111.6R203 E204 M209 L210 Y211 L223R203-C207 PolarHBondContact O-N 3.3Å; R203-C207 PolarHBondContact O-SG 3.35Å; R203-C207 VanDerWaalsContact O-SG 3.37Å; E204-C207 PolarHBondContact O-N 3.09Å; C207-M209 PolarHBondContact O-N 3.38Å; C207-L210 PolarHBondContact O-N 3.07Å; C207-L210 VanDerWaalsContact O-N 3.16Å; C207-Y211 HydrophobicContact CB-CD2 4.29Å; C207-Y211 HydrophobicContact CB-CE2 3.89Å; C207-Y211 VanDerWaalsContact O-CD2 3.22Å; C207-Y211 WeakPolarHBondContact O-CD2 3.39Å; C207-Y211 VanDerWaalsContact O-CG 3.3Å; C207-Y211 PolarHBondContact O-N 3.42Å; C207-L223 HydrophobicContact CB-CD2 3.91Å
208M94.3Very high92.6Very high10 Ų1053.4 Ų53.45%0.04926%0.255CS..Hα-helixtrans-57.3-49.8179.5-167.563.370.400111.4E204 R205 L210 Y211 T212 C220 L223 A224 F237E204-M208 WeakPolarHBondContact O-CB 3.36Å; E204-M208 PolarHBondContact O-N 3.04Å; R205-M208 PolarHBondContact O-N 3.43Å; M208-L210 VanDerWaalsContact C-N 3.3Å; M208-L210 PolarHBondContact O-N 3.16Å; M208-Y211 PolarHBondContact O-N 3.22Å; M208-T212 PolarHBondContact O-N 2.74Å; M208-T212 PolarHBondContact O-OG1 2.93Å; M208-T212 VanDerWaalsContact O-OG1 3.06Å; M208-C220 HydrophobicContact SD-CB 4.24Å; M208-C220 PolarHBondContact SD-SG 2.96Å; M208-L223 HydrophobicContact CE-CB 3.91Å; M208-L223 HydrophobicContact CE-CD2 3.83Å; M208-L223 HydrophobicContact CE-CG 3.72Å; M208-A224 HydrophobicContact CE-CB 3.77Å; M208-F237 HydrophobicContact CE-CD1 4.04Å; M208-F237 HydrophobicContact CE-CE1 4.42Å
209M94.2Very high93.2Very high54 Ų5450.3 Ų50.327%0.26623%0.23SC..Hα-helixtrans-56.1-44.3176.3-176-163.478.300112.1F172 E176 R205 K206 C207 R213F172-M209 HydrophobicContact CE1-CE 4.18Å; F172-M209 HydrophobicContact CE2-CE 4.4Å; F172-M209 HydrophobicContact CZ-CE 3.5Å; E176-M209 HydrophobicContact CG-CE 4.05Å; R205-M209 PolarHBondContact O-N 3Å; K206-M209 PolarHBondContact O-N 2.92Å; C207-M209 PolarHBondContact O-N 3.38Å; M209-R213 WeakPolarHBondContact O-CG 3.4Å; M209-R213 PolarHBondContact O-N 2.83Å; M209-R213 VanDerWaalsContact O-N 3.14Å
210L96.1Very high93.7Very high0 Ų046.9 Ų46.90%021%0.214CC..Hα-helixtrans-70-41.5-180-70.6173.5000112.4F172 C181 A184 L185 K206 C207 M208 T212 R213 L214F172-L210 HydrophobicContact CE2-CD1 3.87Å; F172-L210 HydrophobicContact CE2-CG 4.28Å; C181-L210 HydrophobicContact CB-CD2 4.01Å; A184-L210 HydrophobicContact CB-CD1 3.98Å; A184-L210 HydrophobicContact CB-CD2 3.93Å; L185-L210 VanDerWaalsContact CA-CD1 3.48Å; L185-L210 HydrophobicContact CB-CD1 3.87Å; L185-L210 HydrophobicContact CD1-CB 4.18Å; L185-L210 HydrophobicContact CD1-CD1 4.04Å; K206-L210 VanDerWaalsContact O-CG 3.28Å; K206-L210 WeakPolarHBondContact O-CG 3.48Å; K206-L210 PolarHBondContact O-N 3.09Å; K206-L210 VanDerWaalsContact O-N 3.08Å; C207-L210 PolarHBondContact O-N 3.07Å; C207-L210 VanDerWaalsContact O-N 3.16Å; M208-L210 VanDerWaalsContact C-N 3.3Å; M208-L210 PolarHBondContact O-N 3.16Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.21Å; L210-R213 PolarHBondContact O-N 2.89Å; L210-L214 WeakPolarHBondContact O-CB 3.33Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 2.71Å
211Y96.3Very high94.3Very high0 Ų040.2 Ų40.20%018%0.179CC..Hα-helixtrans-60-43.2175.6-68.1-40.9000111.6L185 R189 C207 M208 L214 E215 R216 E219 L223 E264L185-Y211 HydrophobicContact CD1-CD1 4.31Å; L185-Y211 HydrophobicContact CD1-CE1 3.8Å; L185-Y211 HydrophobicContact CD2-CD1 4.07Å; L185-Y211 HydrophobicContact CD2-CE1 3.63Å; L185-Y211 HydrophobicContact CG-CE1 4.33Å; R189-Y211 WeakPolarHBondContact CD-OH 3.33Å; R189-Y211 VanDerWaalsContact CZ-OH 3.26Å; R189-Y211 PolarHBondContact NE-OH 3Å; R189-Y211 PolarHBondContact NH1-OH 3.33Å; R189-Y211 VanDerWaalsContact NH1-OH 3.1Å; C207-Y211 HydrophobicContact CB-CD2 4.29Å; C207-Y211 HydrophobicContact CB-CE2 3.89Å; C207-Y211 VanDerWaalsContact O-CD2 3.22Å; C207-Y211 WeakPolarHBondContact O-CD2 3.39Å; C207-Y211 VanDerWaalsContact O-CG 3.3Å; C207-Y211 PolarHBondContact O-N 3.42Å; M208-Y211 PolarHBondContact O-N 3.22Å; Y211-L214 PolarHBondContact O-N 3.36Å; Y211-E215 PolarHBondContact O-N 3.25Å; Y211-E215 VanDerWaalsContact O-N 3.12Å; Y211-R216 HydrophobicContact CD1-CB 3.94Å; Y211-R216 HydrophobicContact CG-CB 4.49Å; Y211-R216 PolarHBondContact O-N 3Å; Y211-E219 HydrophobicContact CD1-CB 3.66Å; Y211-E219 HydrophobicContact CD1-CG 4.25Å; Y211-E219 HydrophobicContact CD2-CB 3.84Å; Y211-E219 HydrophobicContact CE1-CB 3.61Å; Y211-E219 HydrophobicContact CE1-CG 3.85Å; Y211-E219 HydrophobicContact CE2-CB 3.79Å; Y211-E219 HydrophobicContact CG-CB 3.79Å; Y211-L223 HydrophobicContact CD2-CD2 4.22Å; Y211-L223 HydrophobicContact CE2-CD2 3.96Å; Y211-E264 HydrophobicContact CE2-CG 3.94Å; Y211-E264 PolarHBondContact OH-OE1 2.63Å
212T94.3Very high94.8Very high57 Ų5739 Ų3935%0.3517%0.174SC..Hα-helixtrans-60.9-44.6174.4-53.60000112M208 L210 L214 E215 W217M208-T212 PolarHBondContact O-N 2.74Å; M208-T212 PolarHBondContact O-OG1 2.93Å; M208-T212 VanDerWaalsContact O-OG1 3.06Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.21Å; T212-L214 PolarHBondContact O-N 3.11Å; T212-E215 PolarHBondContact O-N 3.02Å; T212-W217 HydrophobicContact CG2-CH2 3.92Å; T212-W217 HydrophobicContact CG2-CZ3 4.03Å
213R94.3Very high95.1Very high124 Ų12439.1 Ų39.147%0.46817%0.174SC..Hα-helixtrans-68.6-31.6179.4-73.5-174.7-175.1176.211113.9E176 M209 L210 E215E176-R213 IonicContact OE1-CZ 3.72Å; E176-R213 IonicContact OE1-NH1 3.61Å; E176-R213 PolarHBondContact OE1-NH1 3.08Å; E176-R213 VanDerWaalsContact OE1-NH1 3.12Å; E176-R213 IonicContact OE1-NH2 2.72Å; E176-R213 PolarHBondContact OE1-NH2 3.35Å; M209-R213 WeakPolarHBondContact O-CG 3.4Å; M209-R213 PolarHBondContact O-N 2.83Å; M209-R213 VanDerWaalsContact O-N 3.14Å; L210-R213 PolarHBondContact O-N 2.89Å; R213-E215 VanDerWaalsContact C-N 3.26Å
214L95.6Very high95.4Very high44 Ų4435 Ų3523%0.2316%0.159CC..THydrogen-bonded Turntrans-85.61.8176.8-68.7172000112.7C181 E182 L185 L210 Y211 T212 R216C181-L214 HydrophobicContact CB-CD1 4.24Å; C181-L214 HydrophobicContact CB-CD2 3.56Å; C181-L214 HydrophobicContact CB-CG 3.79Å; E182-L214 HydrophobicContact CG-CD1 4.45Å; E182-L214 HydrophobicContact CG-CD2 3.91Å; L185-L214 HydrophobicContact CD2-CD1 4.02Å; L210-L214 WeakPolarHBondContact O-CB 3.33Å; L210-L214 WeakPolarHBondContact O-CG 3.36Å; L210-L214 PolarHBondContact O-N 2.71Å; Y211-L214 PolarHBondContact O-N 3.36Å; T212-L214 PolarHBondContact O-N 3.11Å; L214-R216 HydrophobicContact CB-CG 3.94Å; L214-R216 PolarHBondContact O-N 3.21Å; L214-R216 VanDerWaalsContact O-N 3.14Å
215E95.5Very high95.6Very high130 Ų13033.3 Ų33.361%0.60715%0.151SC*.THydrogen-bonded Turntrans5429.7-173.9-59.5-176.7-17200113.2Y211 T212 R213 W217Y211-E215 PolarHBondContact O-N 3.25Å; Y211-E215 VanDerWaalsContact O-N 3.12Å; T212-E215 PolarHBondContact O-N 3.02Å; R213-E215 VanDerWaalsContact C-N 3.26Å; E215-W217 HydrophobicContact CB-CZ2 4.41Å; E215-W217 HydrophobicContact CG-CZ2 4.21Å; E215-W217 PolarHBondContact O-N 3.29Å; E215-W217 PolarHBondContact O-NE1 3.42Å
216R95.8Very high95.7Very high70 Ų7034.4 Ų34.426%0.26416%0.158SC..  trans-82.865.8174.5-72.1-174.6-178.1-171.3-0.1110E182 L185 Y211 L214 P218 E219 C220E182-R216 IonicContact OE1-CZ 2.64Å; E182-R216 IonicContact OE1-NE 3.65Å; E182-R216 IonicContact OE1-NH2 3.44Å; E182-R216 PolarHBondContact OE1-NH2 3.5Å; E182-R216 IonicContact OE2-CZ 3.88Å; E182-R216 VanDerWaalsContact OE2-CZ 3.3Å; E182-R216 IonicContact OE2-NH1 3.98Å; E182-R216 IonicContact OE2-NH2 3.74Å; E182-R216 PolarHBondContact OE2-NH2 3.14Å; L185-R216 VanDerWaalsContact CD2-NH1 3.25Å; Y211-R216 HydrophobicContact CD1-CB 3.94Å; Y211-R216 HydrophobicContact CG-CB 4.49Å; Y211-R216 PolarHBondContact O-N 3Å; L214-R216 HydrophobicContact CB-CG 3.94Å; L214-R216 PolarHBondContact O-N 3.21Å; L214-R216 VanDerWaalsContact O-N 3.14Å; R216-P218 VanDerWaalsContact C-CD 3.45Å; R216-E219 HydrophobicContact CB-CB 4.45Å; R216-E219 WeakPolarHBondContact CB-OE2 3.34Å; R216-E219 PolarHBondContact O-N 3.03Å; R216-C220 WeakPolarHBondContact O-CB 3.33Å; R216-C220 PolarHBondContact O-N 3.36Å; R216-C220 VanDerWaalsContact O-N 3.07Å
217W96.9Very high95.8Very high17 Ų1734.3 Ų34.36%0.06416%0.158CC..Hα-helixtrans-61.2-36.6-176.5-54.6113.2000114.5T212 E215 C220 N221 H247 L248 Q251T212-W217 HydrophobicContact CG2-CH2 3.92Å; T212-W217 HydrophobicContact CG2-CZ3 4.03Å; E215-W217 HydrophobicContact CB-CZ2 4.41Å; E215-W217 HydrophobicContact CG-CZ2 4.21Å; E215-W217 PolarHBondContact O-N 3.29Å; E215-W217 PolarHBondContact O-NE1 3.42Å; W217-C220 WeakPolarHBondContact O-CB 3.38Å; W217-C220 PolarHBondContact O-N 3.26Å; W217-N221 WeakPolarHBondContact O-CB 3.44Å; W217-N221 PolarHBondContact O-N 3.14Å; W217-H247 HydrophobicContact CB-CB 4.28Å; W217-H247 HydrophobicContact CD2-CB 3.47Å; W217-H247 VanDerWaalsContact CD2-CB 3.47Å; W217-H247 AromaticContact CD2-CD2 3.86Å; W217-H247 AromaticContact CD2-CG 3.73Å; W217-H247 AromaticContact CE2-CD2 3.6Å; W217-H247 AromaticContact CE2-CG 3.39Å; W217-H247 AromaticContact CE2-ND1 3.85Å; W217-H247 HydrophobicContact CE3-CB 4.09Å; W217-H247 AromaticContact CE3-CD2 3.83Å; W217-H247 HydrophobicContact CG-CB 3.53Å; W217-H247 AromaticContact CH2-CD2 3.29Å; W217-H247 WeakPolarHBondContact CH2-CD2 3.32Å; W217-H247 AromaticContact CH2-CG 3.98Å; W217-H247 AromaticContact CH2-NE2 3.49Å; W217-H247 WeakPolarHBondContact CH2-NE2 3.3Å; W217-H247 HydrophobicContact CZ2-CB 4.22Å; W217-H247 AromaticContact CZ2-CD2 3.34Å; W217-H247 WeakPolarHBondContact CZ2-CD2 3.48Å; W217-H247 AromaticContact CZ2-CE1 3.75Å; W217-H247 AromaticContact CZ2-CG 3.55Å; W217-H247 AromaticContact CZ2-ND1 3.8Å; W217-H247 AromaticContact CZ2-NE2 3.51Å; W217-H247 AromaticContact CZ3-CD2 3.55Å; W217-H247 AromaticContact NE1-CG 3.75Å; W217-H247 AromaticContact NE1-ND1 3.99Å; W217-L248 HydrophobicContact CB-CD2 3.9Å; W217-L248 HydrophobicContact CB-CG 3.95Å; W217-Q251 VanDerWaalsContact CD1-NE2 3.34Å
218P96.8Very high95.9Very high17 Ų1734.1 Ų34.111%0.1116%0.157CC..Hα-helixtrans-58.5-49.8174.7-2433.8000112.2R216 C220 N221 A222 L248 W253 C262 V267R216-P218 VanDerWaalsContact C-CD 3.45Å; P218-C220 PolarHBondContact O-N 2.82Å; P218-N221 PolarHBondContact O-N 2.69Å; P218-A222 WeakPolarHBondContact O-CB 3.44Å; P218-A222 PolarHBondContact O-N 2.92Å; P218-L248 HydrophobicContact CB-CD2 4.47Å; P218-L248 HydrophobicContact CG-CD2 3.76Å; P218-W253 HydrophobicContact CB-CZ2 4.26Å; P218-W253 HydrophobicContact CG-CZ2 4.29Å; P218-C262 HydrophobicContact CB-CB 3.9Å; P218-V267 HydrophobicContact CB-CG1 4.39Å; P218-V267 HydrophobicContact CB-CG2 3.93Å; P218-V267 WeakPolarHBondContact O-CG2 3.33Å
219E96.6Very high95.9Very high31 Ų3137.4 Ų37.415%0.14517%0.174CC..Hα-helixtrans-63.5-40.4178.2-70.581.5174.700112.6Y211 R216 L223 C262 S263 E264Y211-E219 HydrophobicContact CD1-CB 3.66Å; Y211-E219 HydrophobicContact CD1-CG 4.25Å; Y211-E219 HydrophobicContact CD2-CB 3.84Å; Y211-E219 HydrophobicContact CE1-CB 3.61Å; Y211-E219 HydrophobicContact CE1-CG 3.85Å; Y211-E219 HydrophobicContact CE2-CB 3.79Å; Y211-E219 HydrophobicContact CG-CB 3.79Å; R216-E219 HydrophobicContact CB-CB 4.45Å; R216-E219 WeakPolarHBondContact CB-OE2 3.34Å; R216-E219 PolarHBondContact O-N 3.03Å; E219-L223 WeakPolarHBondContact O-CB 3.21Å; E219-L223 PolarHBondContact O-N 3.44Å; E219-C262 HydrophobicContact CG-CB 4.1Å; E219-S263 WeakPolarHBondContact CG-OG 3.49Å; E219-E264 HydrophobicContact CB-CG 4.13Å; E219-E264 HydrophobicContact CG-CG 4.36Å
220C96.7Very high95.9Very high0 Ų043 Ų430%020%0.197CC..Hα-helixtrans-57.5-49.1174.2-176.30000111.1M208 R216 W217 P218 A224M208-C220 HydrophobicContact SD-CB 4.24Å; M208-C220 PolarHBondContact SD-SG 2.96Å; R216-C220 WeakPolarHBondContact O-CB 3.33Å; R216-C220 PolarHBondContact O-N 3.36Å; R216-C220 VanDerWaalsContact O-N 3.07Å; W217-C220 WeakPolarHBondContact O-CB 3.38Å; W217-C220 PolarHBondContact O-N 3.26Å; P218-C220 PolarHBondContact O-N 2.82Å; C220-A224 VanDerWaalsContact O-CB 3.29Å; C220-A224 WeakPolarHBondContact O-CB 3.38Å; C220-A224 PolarHBondContact O-N 2.81Å
221N97.7Very high95.8Very high0 Ų046 Ų460%021%0.213CC..Hα-helixtrans-63-50.6-179.6-171.4-90.3000111.9W217 P218 L223 A224 Q225 Y241 S244 L248 V267 H268W217-N221 WeakPolarHBondContact O-CB 3.44Å; W217-N221 PolarHBondContact O-N 3.14Å; P218-N221 PolarHBondContact O-N 2.69Å; N221-L223 PolarHBondContact O-N 2.98Å; N221-A224 PolarHBondContact O-N 3.35Å; N221-Q225 WeakPolarHBondContact O-CB 3.46Å; N221-Q225 PolarHBondContact O-N 3.38Å; N221-Y241 WeakPolarHBondContact ND2-CD2 3.31Å; N221-Y241 WeakPolarHBondContact ND2-CE2 3.43Å; N221-S244 VanDerWaalsContact CA-OG 3.29Å; N221-S244 WeakPolarHBondContact CA-OG 3.38Å; N221-S244 VanDerWaalsContact CB-OG 3.26Å; N221-S244 WeakPolarHBondContact CB-OG 3.32Å; N221-S244 PolarHBondContact ND2-OG 3.4Å; N221-S244 VanDerWaalsContact ND2-OG 3.08Å; N221-L248 HydrophobicContact CB-CD1 4.02Å; N221-V267 HydrophobicContact CB-CG1 4.13Å; N221-H268 PolarHBondContact ND2-O 3.42Å; N221-H268 PolarHBondContact OD1-N 3.29Å; N221-H268 PolarHBondContact OD1-O 3.27Å
222A97.1Very high95.7Very high3 Ų346.9 Ų46.93%0.02522%0.219CC..Hα-helixtrans-62.8-43.4-178.900000112.2P218 Q225 K226 C262 E264 S266 V267P218-A222 WeakPolarHBondContact O-CB 3.44Å; P218-A222 PolarHBondContact O-N 2.92Å; A222-Q225 PolarHBondContact O-N 3.43Å; A222-K226 VanDerWaalsContact O-CB 3.28Å; A222-K226 WeakPolarHBondContact O-CB 3.1Å; A222-K226 PolarHBondContact O-N 3.36Å; A222-C262 VanDerWaalsContact CB-SG 3.5Å; A222-E264 HydrophobicContact CB-CB 3.73Å; A222-S266 WeakPolarHBondContact CA-O 3.35Å; A222-S266 WeakPolarHBondContact CB-O 3.45Å; A222-V267 HydrophobicContact CB-CG2 4.01Å
223L96.6Very high95.7Very high6 Ų646.8 Ų46.83%0.03122%0.216CC..Hα-helixtrans-64.6-44.8176.9-179.559.3000111.1E204 C207 M208 Y211 E219 N221 K226 L227 E264E204-L223 HydrophobicContact CG-CD1 4.19Å; C207-L223 HydrophobicContact CB-CD2 3.91Å; M208-L223 HydrophobicContact CE-CB 3.91Å; M208-L223 HydrophobicContact CE-CD2 3.83Å; M208-L223 HydrophobicContact CE-CG 3.72Å; Y211-L223 HydrophobicContact CD2-CD2 4.22Å; Y211-L223 HydrophobicContact CE2-CD2 3.96Å; E219-L223 WeakPolarHBondContact O-CB 3.21Å; E219-L223 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact O-N 2.98Å; L223-K226 PolarHBondContact O-N 2.62Å; L223-L227 HydrophobicContact CD1-CD1 3.88Å; L223-L227 HydrophobicContact CD1-CG 4.18Å; L223-L227 HydrophobicContact CG-CD1 3.89Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.23Å; L223-L227 PolarHBondContact O-N 2.87Å; L223-E264 HydrophobicContact CB-CB 4.37Å; L223-E264 HydrophobicContact CB-CG 4.14Å
224A96.8Very high95.7Very high0 Ų041.9 Ų41.90%020%0.199CC..Hα-helixtrans-63.6-44.4178.600000111.1M208 C220 N221 K226 L227 L228 F237 Y241M208-A224 HydrophobicContact CE-CB 3.77Å; C220-A224 VanDerWaalsContact O-CB 3.29Å; C220-A224 WeakPolarHBondContact O-CB 3.38Å; C220-A224 PolarHBondContact O-N 2.81Å; N221-A224 PolarHBondContact O-N 3.35Å; A224-K226 PolarHBondContact O-N 2.94Å; A224-L227 PolarHBondContact O-N 3.06Å; A224-L228 WeakPolarHBondContact O-CB 3.32Å; A224-L228 VanDerWaalsContact O-CG 3.25Å; A224-L228 WeakPolarHBondContact O-CG 3.35Å; A224-L228 PolarHBondContact O-N 2.97Å; A224-F237 HydrophobicContact CB-CB 4.33Å; A224-Y241 HydrophobicContact CB-CD2 4.24Å; A224-Y241 HydrophobicContact CB-CG 4.4Å
225Q96.3Very high95.7Very high22 Ų2244 Ų4410%0.10320%0.204CC..Hα-helixtrans-55.9-50.8173.4-179.5-169.1-700111.2N221 A222 L227 L228 L229 Y241 S266 H268 F277N221-Q225 WeakPolarHBondContact O-CB 3.46Å; N221-Q225 PolarHBondContact O-N 3.38Å; A222-Q225 PolarHBondContact O-N 3.43Å; Q225-L227 VanDerWaalsContact C-N 3.28Å; Q225-L227 PolarHBondContact O-N 3.45Å; Q225-L228 PolarHBondContact O-N 3.2Å; Q225-L229 HydrophobicContact CG-CD1 4.35Å; Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.32Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 2.81Å; Q225-Y241 HydrophobicContact CB-CD2 4.47Å; Q225-Y241 HydrophobicContact CB-CE2 4.02Å; Q225-S266 PolarHBondContact OE1-O 3.45Å; Q225-H268 PolarHBondContact NE2-CE1 2.96Å; Q225-H268 PolarHBondContact NE2-NE2 3.49Å; Q225-F277 HydrophobicContact CG-CD2 4.32Å; Q225-F277 HydrophobicContact CG-CE2 3.84Å; Q225-F277 HydrophobicContact CG-CZ 4.16Å
226K95.4Very high95.6Very high120 Ų12041.6 Ų41.652%0.52219%0.193SC..Hα-helixtrans-59.1-38.8-179.7-177.7179.2179.71780112.3A222 L223 A224 K230A222-K226 VanDerWaalsContact O-CB 3.28Å; A222-K226 WeakPolarHBondContact O-CB 3.1Å; A222-K226 PolarHBondContact O-N 3.36Å; L223-K226 PolarHBondContact O-N 2.62Å; A224-K226 PolarHBondContact O-N 2.94Å; K226-K230 PolarHBondContact O-N 3.3Å
227L95.1Very high95.5Very high12 Ų1238.4 Ų38.46%0.06318%0.181CC..Hα-helixtrans-73.8-40178.3-66.9168.9000112.1E204 L223 A224 Q225 L229 K230 N231 F237E204-L227 HydrophobicContact CB-CD1 3.87Å; E204-L227 HydrophobicContact CB-CD2 4.49Å; E204-L227 HydrophobicContact CG-CD1 4.22Å; E204-L227 HydrophobicContact CG-CD2 4.12Å; L223-L227 HydrophobicContact CD1-CD1 3.88Å; L223-L227 HydrophobicContact CD1-CG 4.18Å; L223-L227 HydrophobicContact CG-CD1 3.89Å; L223-L227 VanDerWaalsContact O-CG 3.26Å; L223-L227 WeakPolarHBondContact O-CG 3.23Å; L223-L227 PolarHBondContact O-N 2.87Å; A224-L227 PolarHBondContact O-N 3.06Å; Q225-L227 VanDerWaalsContact C-N 3.28Å; Q225-L227 PolarHBondContact O-N 3.45Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.4Å; L227-K230 WeakPolarHBondContact O-CB 3.43Å; L227-K230 PolarHBondContact O-N 3.31Å; L227-K230 VanDerWaalsContact O-N 3.1Å; L227-N231 PolarHBondContact O-N 2.89Å; L227-F237 HydrophobicContact CB-CD2 3.78Å; L227-F237 HydrophobicContact CB-CE2 3.92Å; L227-F237 HydrophobicContact CB-CG 4.22Å; L227-F237 HydrophobicContact CB-CZ 4.48Å; L227-F237 HydrophobicContact CD1-CD1 3.98Å; L227-F237 HydrophobicContact CD1-CD2 4.22Å; L227-F237 HydrophobicContact CD1-CE1 3.58Å; L227-F237 HydrophobicContact CD1-CE2 3.84Å; L227-F237 HydrophobicContact CD1-CG 4.31Å; L227-F237 HydrophobicContact CD1-CZ 3.52Å; L227-F237 HydrophobicContact CG-CE2 4.37Å; L227-F237 HydrophobicContact CG-CZ 4.49Å
228L95.9Very high95.5Very high0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-68.8-27.9174.7-69.7171.2000112.8A224 Q225 K230 N231 P232 F237 Y238 Y241 F277A224-L228 WeakPolarHBondContact O-CB 3.32Å; A224-L228 VanDerWaalsContact O-CG 3.25Å; A224-L228 WeakPolarHBondContact O-CG 3.35Å; A224-L228 PolarHBondContact O-N 2.97Å; Q225-L228 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact C-N 3.31Å; L228-N231 CarbonylContact O-C 3.49Å; L228-P232 VanDerWaalsContact O-CA 3.28Å; L228-P232 WeakPolarHBondContact O-CA 3.38Å; L228-F237 HydrophobicContact CD1-CB 4.3Å; L228-F237 HydrophobicContact CD2-CB 4.01Å; L228-F237 HydrophobicContact CG-CB 3.93Å; L228-Y238 HydrophobicContact CD1-CD1 3.76Å; L228-Y238 HydrophobicContact CD1-CE1 3.81Å; L228-Y238 HydrophobicContact CD1-CG 4.16Å; L228-Y238 HydrophobicContact CD2-CD1 4.35Å; L228-Y238 HydrophobicContact CD2-CD2 3.75Å; L228-Y238 HydrophobicContact CD2-CE1 4.17Å; L228-Y238 HydrophobicContact CD2-CE2 3.56Å; L228-Y238 HydrophobicContact CD2-CG 4.15Å; L228-Y241 HydrophobicContact CD1-CD1 4.16Å; L228-Y241 HydrophobicContact CD1-CG 4.21Å; L228-F277 HydrophobicContact CB-CE1 4.13Å; L228-F277 HydrophobicContact CB-CZ 3.92Å; L228-F277 HydrophobicContact CD1-CE1 4.34Å
229L94.9Very high95.4Very high79 Ų7938.4 Ų38.441%0.41418%0.183SC..Hα-helixtrans-63.8-38.1168.9-78.1174.5000111.7Q225 L227 F277 R281Q225-L229 HydrophobicContact CG-CD1 4.35Å; Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.32Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 2.81Å; L227-L229 VanDerWaalsContact C-N 3.31Å; L227-L229 PolarHBondContact O-N 3.4Å; L229-F277 HydrophobicContact CD2-CE2 3.59Å; L229-F277 HydrophobicContact CD2-CZ 4.32Å; L229-F277 HydrophobicContact CG-CE2 3.84Å; L229-F277 HydrophobicContact CG-CZ 4.3Å; L229-R281 VanDerWaalsContact CD2-CZ 3.49Å
230K93.4Very high95.4Very high172 Ų17238.2 Ų38.275%0.74819%0.185SC*.Hα-helixtrans-77.3-43.5179.3-176.9180177.4-178.10112K226 L227 L228K226-K230 PolarHBondContact O-N 3.3Å; L227-K230 WeakPolarHBondContact O-CB 3.43Å; L227-K230 PolarHBondContact O-N 3.31Å; L227-K230 VanDerWaalsContact O-N 3.1Å; L228-K230 VanDerWaalsContact C-N 3.31Å
231N93.3Very high95.4Very high63 Ų6338.2 Ų38.234%0.33719%0.185SC..  trans-138.297.8177.3-176.711.7000110.5L227 L228 D233 D234L227-N231 PolarHBondContact O-N 2.89Å; L228-N231 CarbonylContact O-C 3.49Å; N231-D233 PolarHBondContact O-N 3.37Å; N231-D233 PolarHBondContact OD1-N 3.35Å; N231-D234 HydrophobicContact CB-CB 4.21Å; N231-D234 WeakPolarHBondContact O-CB 3.22Å; N231-D234 PolarHBondContact O-N 3.26Å
232P94.2Very high95.4Very high17 Ų1738.2 Ų38.211%0.1119%0.185CC..THydrogen-bonded Turntrans-75.9-6.7-176.631.1-36.2000114.1L228 Y238 R281 L293 P296L228-P232 VanDerWaalsContact O-CA 3.28Å; L228-P232 WeakPolarHBondContact O-CA 3.38Å; P232-Y238 VanDerWaalsContact O-CE2 3.3Å; P232-Y238 WeakPolarHBondContact O-CE2 3.46Å; P232-Y238 PolarHBondContact O-OH 3.38Å; P232-Y238 VanDerWaalsContact O-OH 3.14Å; P232-R281 HydrophobicContact CB-CG 4.43Å; P232-L293 HydrophobicContact CG-CD1 3.83Å; P232-P296 HydrophobicContact CB-CG 3.93Å; P232-P296 WeakPolarHBondContact O-CD 3.23Å
233D94.4Very high95.3Very high56 Ų5640.9 Ų40.930%0.29920%0.199SC..THydrogen-bonded Turntrans-92.70.3174.7-148.551.5000112.4N231 W235 L293 R294 G295N231-D233 PolarHBondContact O-N 3.37Å; N231-D233 PolarHBondContact OD1-N 3.35Å; D233-W235 VanDerWaalsContact C-N 3.35Å; D233-W235 PolarHBondContact O-N 2.9Å; D233-L293 HydrophobicContact CB-CB 4.15Å; D233-L293 HydrophobicContact CB-CD1 4.17Å; D233-L293 HydrophobicContact CB-CD2 4.09Å; D233-L293 HydrophobicContact CB-CG 4.35Å; D233-R294 PolarHBondContact OD1-N 3.49Å; D233-G295 WeakPolarHBondContact OD1-CA 3.41Å; D233-G295 PolarHBondContact OD1-N 3.48Å
234D94.3Very high95.4Very high21 Ų2140.6 Ų40.611%0.11220%0.198CC..  trans-77.981.8-175.6-155.2-19.9000111.8Q201 N231 Q236 F237Q201-D234 PolarHBondContact NE2-OD2 3.27Å; Q201-D234 PolarHBondContact OE1-OD2 2.92Å; N231-D234 HydrophobicContact CB-CB 4.21Å; N231-D234 WeakPolarHBondContact O-CB 3.22Å; N231-D234 PolarHBondContact O-N 3.26Å; D234-Q236 PolarHBondContact O-N 2.83Å; D234-Q236 VanDerWaalsContact OD1-CG 3.29Å; D234-Q236 WeakPolarHBondContact OD1-CG 3.41Å; D234-Q236 PolarHBondContact OD1-NE2 2.94Å; D234-Q236 PolarHBondContact OD2-NE2 3.36Å; D234-F237 HydrophobicContact CB-CD2 3.95Å; D234-F237 HydrophobicContact CB-CE2 4.35Å; D234-F237 PolarHBondContact O-N 2.82Å; D234-F237 VanDerWaalsContact OD2-CE2 3.22Å; D234-F237 WeakPolarHBondContact OD2-CE2 3.39Å
235W95.4Very high95.4Very high89 Ų8940.6 Ų40.634%0.33720%0.198SC..THydrogen-bonded Turntrans-55.2-29.4-171.6-169.8-104.5000114.2D233 F237 Y238 P239 L298 A299 E302D233-W235 VanDerWaalsContact C-N 3.35Å; D233-W235 PolarHBondContact O-N 2.9Å; W235-F237 PolarHBondContact O-N 3.26Å; W235-F237 VanDerWaalsContact O-N 3.09Å; W235-Y238 AromaticContact CE3-CD2 3.89Å; W235-Y238 HydrophobicContact CE3-CD2 3.89Å; W235-Y238 HydrophobicContact CZ3-CD2 4.28Å; W235-Y238 PolarHBondContact O-N 2.91Å; W235-P239 WeakPolarHBondContact O-CD 3.22Å; W235-L298 HydrophobicContact CE3-CB 4.44Å; W235-L298 HydrophobicContact CH2-CB 3.73Å; W235-L298 HydrophobicContact CZ3-CB 3.48Å; W235-L298 VanDerWaalsContact CZ3-CB 3.48Å; W235-A299 HydrophobicContact CZ3-CB 4.34Å; W235-E302 HydrophobicContact CH2-CB 3.97Å; W235-E302 HydrophobicContact CH2-CG 4.31Å; W235-E302 HydrophobicContact CZ2-CB 4.45Å; W235-E302 HydrophobicContact CZ2-CG 4.35Å
236Q93.3Very high95.3Very high79 Ų7939.6 Ų39.637%0.36919%0.193SC..THydrogen-bonded Turntrans-60.1-24.7-177.178-170-63.100113.4D234D234-Q236 PolarHBondContact O-N 2.83Å; D234-Q236 VanDerWaalsContact OD1-CG 3.29Å; D234-Q236 WeakPolarHBondContact OD1-CG 3.41Å; D234-Q236 PolarHBondContact OD1-NE2 2.94Å; D234-Q236 PolarHBondContact OD2-NE2 3.36Å
237F95Very high95.4Very high3 Ų336.7 Ų36.71%0.01318%0.181CC..Hα-helixtrans-93-19.7-177.5-60.6-56.4000113.9M208 A224 L227 L228 D234 W235 S240 Y241M208-F237 HydrophobicContact CE-CD1 4.04Å; M208-F237 HydrophobicContact CE-CE1 4.42Å; A224-F237 HydrophobicContact CB-CB 4.33Å; L227-F237 HydrophobicContact CB-CD2 3.78Å; L227-F237 HydrophobicContact CB-CE2 3.92Å; L227-F237 HydrophobicContact CB-CG 4.22Å; L227-F237 HydrophobicContact CB-CZ 4.48Å; L227-F237 HydrophobicContact CD1-CD1 3.98Å; L227-F237 HydrophobicContact CD1-CD2 4.22Å; L227-F237 HydrophobicContact CD1-CE1 3.58Å; L227-F237 HydrophobicContact CD1-CE2 3.84Å; L227-F237 HydrophobicContact CD1-CG 4.31Å; L227-F237 HydrophobicContact CD1-CZ 3.52Å; L227-F237 HydrophobicContact CG-CE2 4.37Å; L227-F237 HydrophobicContact CG-CZ 4.49Å; L228-F237 HydrophobicContact CD1-CB 4.3Å; L228-F237 HydrophobicContact CD2-CB 4.01Å; L228-F237 HydrophobicContact CG-CB 3.93Å; D234-F237 HydrophobicContact CB-CD2 3.95Å; D234-F237 HydrophobicContact CB-CE2 4.35Å; D234-F237 PolarHBondContact O-N 2.82Å; D234-F237 VanDerWaalsContact OD2-CE2 3.22Å; D234-F237 WeakPolarHBondContact OD2-CE2 3.39Å; W235-F237 PolarHBondContact O-N 3.26Å; W235-F237 VanDerWaalsContact O-N 3.09Å; F237-S240 PolarHBondContact O-N 3.31Å; F237-Y241 WeakPolarHBondContact O-CB 3.48Å; F237-Y241 PolarHBondContact O-N 2.98Å
238Y96.8Very high95.4Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-63.4-46.2177-80.9-68.9000113.2L228 P232 W235 S240 Y241 F242 A299L228-Y238 HydrophobicContact CD1-CD1 3.76Å; L228-Y238 HydrophobicContact CD1-CE1 3.81Å; L228-Y238 HydrophobicContact CD1-CG 4.16Å; L228-Y238 HydrophobicContact CD2-CD1 4.35Å; L228-Y238 HydrophobicContact CD2-CD2 3.75Å; L228-Y238 HydrophobicContact CD2-CE1 4.17Å; L228-Y238 HydrophobicContact CD2-CE2 3.56Å; L228-Y238 HydrophobicContact CD2-CG 4.15Å; P232-Y238 VanDerWaalsContact O-CE2 3.3Å; P232-Y238 WeakPolarHBondContact O-CE2 3.46Å; P232-Y238 PolarHBondContact O-OH 3.38Å; P232-Y238 VanDerWaalsContact O-OH 3.14Å; W235-Y238 AromaticContact CE3-CD2 3.89Å; W235-Y238 HydrophobicContact CE3-CD2 3.89Å; W235-Y238 HydrophobicContact CZ3-CD2 4.28Å; W235-Y238 PolarHBondContact O-N 2.91Å; Y238-S240 PolarHBondContact O-N 3.42Å; Y238-Y241 PolarHBondContact O-N 2.9Å; Y238-F242 HydrophobicContact CD1-CE2 4.13Å; Y238-F242 AromaticContact CD1-CZ 3.84Å; Y238-F242 HydrophobicContact CD1-CZ 3.84Å; Y238-F242 VanDerWaalsContact O-CD2 3.23Å; Y238-F242 WeakPolarHBondContact O-CD2 3.22Å; Y238-F242 WeakPolarHBondContact O-CG 3.44Å; Y238-F242 PolarHBondContact O-N 3.46Å; Y238-A299 HydrophobicContact CD1-CB 3.39Å; Y238-A299 HydrophobicContact CD2-CB 4.11Å; Y238-A299 HydrophobicContact CE1-CB 3.23Å; Y238-A299 HydrophobicContact CE2-CB 3.96Å; Y238-A299 HydrophobicContact CG-CB 3.84Å
239P95.1Very high95.3Very high33 Ų3338.2 Ų38.221%0.21419%0.189CC..Hα-helixtrans-55.5-50.5173.6-28.436.3000112.3W235 Y241 F242 D243 R306W235-P239 WeakPolarHBondContact O-CD 3.22Å; P239-Y241 VanDerWaalsContact C-N 3.3Å; P239-Y241 PolarHBondContact O-N 3.04Å; P239-F242 PolarHBondContact O-N 3Å; P239-D243 WeakPolarHBondContact O-CB 3.49Å; P239-D243 PolarHBondContact O-N 3.48Å; P239-R306 PolarHBondContact O-NH1 3.1Å
240S95.3Very high95.3Very high28 Ų2838.8 Ų38.820%0.19619%0.192CC..Hα-helixtrans-60.7-40.3179.4-54.80000112F237 Y238 S244F237-S240 PolarHBondContact O-N 3.31Å; Y238-S240 PolarHBondContact O-N 3.42Å; S240-S244 VanDerWaalsContact O-CB 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.49Å; S240-S244 PolarHBondContact O-N 3.24Å; S240-S244 PolarHBondContact O-OG 3.2Å; S240-S244 VanDerWaalsContact O-OG 3.06Å
241Y97.4Very high95.3Very high0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-63.7-45.6176.7-178.6-123.8000112.3N221 A224 Q225 L228 F237 Y238 P239 S244 L245 H268 V274 F277N221-Y241 WeakPolarHBondContact ND2-CD2 3.31Å; N221-Y241 WeakPolarHBondContact ND2-CE2 3.43Å; A224-Y241 HydrophobicContact CB-CD2 4.24Å; A224-Y241 HydrophobicContact CB-CG 4.4Å; Q225-Y241 HydrophobicContact CB-CD2 4.47Å; Q225-Y241 HydrophobicContact CB-CE2 4.02Å; L228-Y241 HydrophobicContact CD1-CD1 4.16Å; L228-Y241 HydrophobicContact CD1-CG 4.21Å; F237-Y241 WeakPolarHBondContact O-CB 3.48Å; F237-Y241 PolarHBondContact O-N 2.98Å; Y238-Y241 PolarHBondContact O-N 2.9Å; P239-Y241 VanDerWaalsContact C-N 3.3Å; P239-Y241 PolarHBondContact O-N 3.04Å; Y241-S244 PolarHBondContact O-OG 3.22Å; Y241-L245 PolarHBondContact O-N 3.12Å; Y241-L245 VanDerWaalsContact O-N 3.11Å; Y241-H268 AromaticContact CZ-ND1 3.82Å; Y241-H268 PolarHBondContact OH-ND1 3.31Å; Y241-V274 HydrophobicContact CD1-CG1 4.41Å; Y241-V274 HydrophobicContact CE1-CB 4.45Å; Y241-V274 HydrophobicContact CE1-CG1 3.68Å; Y241-V274 HydrophobicContact CE1-CG2 4.25Å; Y241-F277 AromaticContact CE1-CD1 3.73Å; Y241-F277 HydrophobicContact CE1-CD1 3.73Å; Y241-F277 HydrophobicContact CE1-CE1 4.08Å; Y241-F277 AromaticContact CZ-CD1 3.88Å; Y241-F277 WeakPolarHBondContact OH-CD1 3.18Å
242F97.1Very high95.3Very high0 Ų037.1 Ų37.10%020%0.196CC..Hα-helixtrans-71.3-40.7177.3-60.6-36.5000112.7Y238 P239 S244 L245 F246 V274 V278 A299 E302 L303Y238-F242 HydrophobicContact CD1-CE2 4.13Å; Y238-F242 AromaticContact CD1-CZ 3.84Å; Y238-F242 HydrophobicContact CD1-CZ 3.84Å; Y238-F242 VanDerWaalsContact O-CD2 3.23Å; Y238-F242 WeakPolarHBondContact O-CD2 3.22Å; Y238-F242 WeakPolarHBondContact O-CG 3.44Å; Y238-F242 PolarHBondContact O-N 3.46Å; P239-F242 PolarHBondContact O-N 3Å; F242-S244 VanDerWaalsContact C-N 3.34Å; F242-S244 PolarHBondContact O-N 2.99Å; F242-L245 WeakPolarHBondContact O-CB 3.2Å; F242-L245 PolarHBondContact O-N 3.42Å; F242-F246 HydrophobicContact CB-CE2 4.21Å; F242-F246 WeakPolarHBondContact O-CD2 3.46Å; F242-F246 PolarHBondContact O-N 3.42Å; F242-F246 VanDerWaalsContact O-N 3.1Å; F242-V274 HydrophobicContact CD1-CG1 3.92Å; F242-V274 HydrophobicContact CE1-CG1 3.71Å; F242-V278 HydrophobicContact CE1-CG2 4.36Å; F242-V278 HydrophobicContact CZ-CG2 4.4Å; F242-A299 HydrophobicContact CE2-CB 4.37Å; F242-A299 HydrophobicContact CZ-CB 4.03Å; F242-A299 VanDerWaalsContact CZ-O 3.32Å; F242-A299 WeakPolarHBondContact CZ-O 3.39Å; F242-E302 HydrophobicContact CD2-CG 3.96Å; F242-E302 HydrophobicContact CE2-CB 4.05Å; F242-E302 HydrophobicContact CE2-CG 3.87Å; F242-L303 HydrophobicContact CD1-CB 4.48Å; F242-L303 HydrophobicContact CD1-CD1 3.85Å; F242-L303 HydrophobicContact CE1-CB 3.97Å; F242-L303 HydrophobicContact CE1-CD1 4Å; F242-L303 HydrophobicContact CE1-CD2 4.28Å; F242-L303 HydrophobicContact CE1-CG 4.31Å; F242-L303 HydrophobicContact CE2-CB 4.27Å; F242-L303 HydrophobicContact CG-CD1 4.4Å; F242-L303 HydrophobicContact CZ-CB 3.84Å
243D96.1Very high95.3Very high58 Ų5839 Ų3931%0.3120%0.201SC..Hα-helixtrans-62.6-43.6177-68.7-32.1000110.9P239 L245 F246 H247 R306P239-D243 WeakPolarHBondContact O-CB 3.49Å; P239-D243 PolarHBondContact O-N 3.48Å; D243-L245 PolarHBondContact O-N 2.91Å; D243-F246 PolarHBondContact O-N 3.28Å; D243-H247 PolarHBondContact O-CD2 3.06Å; D243-H247 PolarHBondContact O-N 3.27Å; D243-R306 IonicContact OD1-CZ 2.92Å; D243-R306 IonicContact OD1-NH1 2.77Å; D243-R306 PolarHBondContact OD1-NH1 3.17Å; D243-R306 IonicContact OD2-NH1 3.31Å; D243-R306 PolarHBondContact OD2-NH1 3.41Å; D243-R306 VanDerWaalsContact OD2-NH1 3.08Å
244S97.3Very high95.1Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-61.3-41.2174.467.80000112.9N221 S240 Y241 F242 F246 H247 L248N221-S244 VanDerWaalsContact CA-OG 3.29Å; N221-S244 WeakPolarHBondContact CA-OG 3.38Å; N221-S244 VanDerWaalsContact CB-OG 3.26Å; N221-S244 WeakPolarHBondContact CB-OG 3.32Å; N221-S244 PolarHBondContact ND2-OG 3.4Å; N221-S244 VanDerWaalsContact ND2-OG 3.08Å; S240-S244 VanDerWaalsContact O-CB 3.27Å; S240-S244 WeakPolarHBondContact O-CB 3.49Å; S240-S244 PolarHBondContact O-N 3.24Å; S240-S244 PolarHBondContact O-OG 3.2Å; S240-S244 VanDerWaalsContact O-OG 3.06Å; Y241-S244 PolarHBondContact O-OG 3.22Å; F242-S244 VanDerWaalsContact C-N 3.34Å; F242-S244 PolarHBondContact O-N 2.99Å; S244-F246 PolarHBondContact O-N 3.46Å; S244-H247 PolarHBondContact O-N 2.96Å; S244-L248 WeakPolarHBondContact O-CB 3.42Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 3.29Å
245L96.6Very high95Very high0 Ų041.6 Ų41.60%022%0.224CC..Hα-helixtrans-55.2-52.5174.3167.569.2000110.6Y241 F242 D243 H247 L248 M249 V274 L303Y241-L245 PolarHBondContact O-N 3.12Å; Y241-L245 VanDerWaalsContact O-N 3.11Å; F242-L245 WeakPolarHBondContact O-CB 3.2Å; F242-L245 PolarHBondContact O-N 3.42Å; D243-L245 PolarHBondContact O-N 2.91Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 3.08Å; L245-L248 WeakPolarHBondContact O-CB 3.44Å; L245-L248 PolarHBondContact O-N 3.37Å; L245-M249 HydrophobicContact CD1-CG 4.17Å; L245-M249 HydrophobicContact CD1-SD 3.96Å; L245-M249 HydrophobicContact CD2-SD 4.37Å; L245-M249 HydrophobicContact CG-SD 3.93Å; L245-M249 WeakPolarHBondContact O-CG 3.43Å; L245-M249 PolarHBondContact O-N 3.41Å; L245-V274 HydrophobicContact CB-CG2 4.3Å; L245-V274 HydrophobicContact CD1-CG2 3.81Å; L245-V274 HydrophobicContact CD2-CB 3.96Å; L245-V274 HydrophobicContact CD2-CG1 4.13Å; L245-V274 HydrophobicContact CD2-CG2 3.74Å; L245-V274 HydrophobicContact CG-CG2 4.13Å; L245-L303 HydrophobicContact CD2-CD1 4.42Å
246F95.9Very high94.7Very high1 Ų140.3 Ų40.30%0.00423%0.227CC..Hα-helixtrans-65.8-37.9-174.7-63.1-56.9000112.1F242 D243 S244 M249 D250 L303 R306 L307 R310 Y312F242-F246 HydrophobicContact CB-CE2 4.21Å; F242-F246 WeakPolarHBondContact O-CD2 3.46Å; F242-F246 PolarHBondContact O-N 3.42Å; F242-F246 VanDerWaalsContact O-N 3.1Å; D243-F246 PolarHBondContact O-N 3.28Å; S244-F246 PolarHBondContact O-N 3.46Å; F246-M249 HydrophobicContact CD1-SD 4.36Å; F246-M249 PolarHBondContact O-N 2.98Å; F246-D250 WeakPolarHBondContact O-CB 3.34Å; F246-D250 PolarHBondContact O-N 2.83Å; F246-L303 HydrophobicContact CZ-CD1 4.32Å; F246-R306 HydrophobicContact CE2-CB 3.54Å; F246-R306 HydrophobicContact CE2-CG 4.32Å; F246-R306 HydrophobicContact CZ-CB 3.66Å; F246-L307 HydrophobicContact CE1-CD2 3.78Å; F246-L307 HydrophobicContact CE1-CG 4.32Å; F246-L307 HydrophobicContact CZ-CD2 4.29Å; F246-L307 HydrophobicContact CZ-CG 4.33Å; F246-R310 VanDerWaalsContact CB-NH1 3.31Å; F246-Y312 HydrophobicContact CD1-CD2 4.41Å; F246-Y312 AromaticContact CD1-CE2 3.74Å; F246-Y312 HydrophobicContact CD1-CE2 3.74Å; F246-Y312 HydrophobicContact CE1-CD2 4.19Å; F246-Y312 AromaticContact CE1-CE2 3.97Å; F246-Y312 HydrophobicContact CE1-CE2 3.97Å
247H96.5Very high94.1Very high59 Ų5945.8 Ų45.827%0.27325%0.253SS..Hα-helixtrans-64-39.5173-79.3-68000113W217 D243 S244 L245 M249 D250 Q251W217-H247 HydrophobicContact CB-CB 4.28Å; W217-H247 HydrophobicContact CD2-CB 3.47Å; W217-H247 VanDerWaalsContact CD2-CB 3.47Å; W217-H247 AromaticContact CD2-CD2 3.86Å; W217-H247 AromaticContact CD2-CG 3.73Å; W217-H247 AromaticContact CE2-CD2 3.6Å; W217-H247 AromaticContact CE2-CG 3.39Å; W217-H247 AromaticContact CE2-ND1 3.85Å; W217-H247 HydrophobicContact CE3-CB 4.09Å; W217-H247 AromaticContact CE3-CD2 3.83Å; W217-H247 HydrophobicContact CG-CB 3.53Å; W217-H247 AromaticContact CH2-CD2 3.29Å; W217-H247 WeakPolarHBondContact CH2-CD2 3.32Å; W217-H247 AromaticContact CH2-CG 3.98Å; W217-H247 AromaticContact CH2-NE2 3.49Å; W217-H247 WeakPolarHBondContact CH2-NE2 3.3Å; W217-H247 HydrophobicContact CZ2-CB 4.22Å; W217-H247 AromaticContact CZ2-CD2 3.34Å; W217-H247 WeakPolarHBondContact CZ2-CD2 3.48Å; W217-H247 AromaticContact CZ2-CE1 3.75Å; W217-H247 AromaticContact CZ2-CG 3.55Å; W217-H247 AromaticContact CZ2-ND1 3.8Å; W217-H247 AromaticContact CZ2-NE2 3.51Å; W217-H247 AromaticContact CZ3-CD2 3.55Å; W217-H247 AromaticContact NE1-CG 3.75Å; W217-H247 AromaticContact NE1-ND1 3.99Å; D243-H247 PolarHBondContact O-CD2 3.06Å; D243-H247 PolarHBondContact O-N 3.27Å; S244-H247 PolarHBondContact O-N 2.96Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 3.08Å; H247-M249 VanDerWaalsContact C-N 3.31Å; H247-M249 PolarHBondContact O-N 2.84Å; H247-D250 PolarHBondContact O-N 3.14Å; H247-Q251 WeakPolarHBondContact O-CB 3.4Å; H247-Q251 VanDerWaalsContact O-CG 3.24Å; H247-Q251 WeakPolarHBondContact O-CG 3.41Å; H247-Q251 PolarHBondContact O-N 2.83Å
248L96.3Very high93.3Very high1 Ų153 Ų531%0.00529%0.292CS..Hα-helixtrans-61.8-40.4174.3-70.1167.7000111.7W217 P218 N221 S244 L245 Q251 S252 W253 V267 H269W217-L248 HydrophobicContact CB-CD2 3.9Å; W217-L248 HydrophobicContact CB-CG 3.95Å; P218-L248 HydrophobicContact CB-CD2 4.47Å; P218-L248 HydrophobicContact CG-CD2 3.76Å; N221-L248 HydrophobicContact CB-CD1 4.02Å; S244-L248 WeakPolarHBondContact O-CB 3.42Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 3.29Å; L245-L248 WeakPolarHBondContact O-CB 3.44Å; L245-L248 PolarHBondContact O-N 3.37Å; L248-Q251 PolarHBondContact O-N 2.67Å; L248-S252 PolarHBondContact O-N 3.01Å; L248-S252 VanDerWaalsContact O-N 3.11Å; L248-W253 HydrophobicContact CB-CB 4.31Å; L248-W253 HydrophobicContact CD2-CB 3.76Å; L248-W253 HydrophobicContact CD2-CD2 3.87Å; L248-W253 HydrophobicContact CD2-CE3 4.21Å; L248-W253 HydrophobicContact CD2-CG 3.67Å; L248-W253 PolarHBondContact O-N 3.26Å; L248-V267 HydrophobicContact CD1-CG1 3.61Å; L248-H269 HydrophobicContact CB-CB 4.42Å; L248-H269 HydrophobicContact CD1-CB 4.44Å
249M93.8Very high92.4Very high44 Ų4456.3 Ų56.322%0.21733%0.326CS..Hα-helixtrans-65.6-46.6175.3-69.1174.361.800111.8L245 F246 H247 Q251 S252 H269 V271 Y312L245-M249 HydrophobicContact CD1-CG 4.17Å; L245-M249 HydrophobicContact CD1-SD 3.96Å; L245-M249 HydrophobicContact CD2-SD 4.37Å; L245-M249 HydrophobicContact CG-SD 3.93Å; L245-M249 WeakPolarHBondContact O-CG 3.43Å; L245-M249 PolarHBondContact O-N 3.41Å; F246-M249 HydrophobicContact CD1-SD 4.36Å; F246-M249 PolarHBondContact O-N 2.98Å; H247-M249 VanDerWaalsContact C-N 3.31Å; H247-M249 PolarHBondContact O-N 2.84Å; M249-Q251 PolarHBondContact O-N 3.26Å; M249-S252 PolarHBondContact O-N 2.91Å; M249-H269 WeakPolarHBondContact CG-O 3.43Å; M249-V271 HydrophobicContact CE-CG2 3.68Å; M249-V271 HydrophobicContact SD-CG2 3.66Å; M249-Y312 HydrophobicContact CE-CD1 3.91Å; M249-Y312 HydrophobicContact CE-CE1 3.48Å; M249-Y312 VanDerWaalsContact CE-CE1 3.48Å; M249-Y312 HydrophobicContact CE-CE2 4.47Å
250D93.4Very high91.9Very high91 Ų9161.9 Ų61.949%0.48735%0.349SS..Hα-helixtrans-60.7-34178-67.1-24.5000111.3F246 H247 S252 R310 Y312F246-D250 WeakPolarHBondContact O-CB 3.34Å; F246-D250 PolarHBondContact O-N 2.83Å; H247-D250 PolarHBondContact O-N 3.14Å; D250-S252 VanDerWaalsContact C-N 3.33Å; D250-R310 IonicContact OD2-NH1 2.87Å; D250-R310 PolarHBondContact OD2-NH1 3.44Å; D250-Y312 PolarHBondContact OD1-OH 3.33Å
251Q94.4Very high91.5Very high96 Ų9663.4 Ų63.445%0.44935%0.353SS..THydrogen-bonded Turntrans-83.6-4.1175.8-68.8177.2-3.200113.9W217 H247 L248 M249 W253W217-Q251 VanDerWaalsContact CD1-NE2 3.34Å; H247-Q251 WeakPolarHBondContact O-CB 3.4Å; H247-Q251 VanDerWaalsContact O-CG 3.24Å; H247-Q251 WeakPolarHBondContact O-CG 3.41Å; H247-Q251 PolarHBondContact O-N 2.83Å; L248-Q251 PolarHBondContact O-N 2.67Å; M249-Q251 PolarHBondContact O-N 3.26Å; Q251-W253 PolarHBondContact O-N 2.57Å
252S92.8Very high91.2Very high103 Ų10364.1 Ų64.172%0.7236%0.358SS*.THydrogen-bonded Turntrans49.839.5-172.6-58.30000112.6L248 M249 D250L248-S252 PolarHBondContact O-N 3.01Å; L248-S252 VanDerWaalsContact O-N 3.11Å; M249-S252 PolarHBondContact O-N 2.91Å; D250-S252 VanDerWaalsContact C-N 3.33Å
253W95.1Very high90.8Very high56 Ų5666.7 Ų66.721%0.21238%0.375CS..  trans-64.6142.1-177-178.891000111P218 L248 Q251 P255 H261 V267 H269P218-W253 HydrophobicContact CB-CZ2 4.26Å; P218-W253 HydrophobicContact CG-CZ2 4.29Å; L248-W253 HydrophobicContact CB-CB 4.31Å; L248-W253 HydrophobicContact CD2-CB 3.76Å; L248-W253 HydrophobicContact CD2-CD2 3.87Å; L248-W253 HydrophobicContact CD2-CE3 4.21Å; L248-W253 HydrophobicContact CD2-CG 3.67Å; L248-W253 PolarHBondContact O-N 3.26Å; Q251-W253 PolarHBondContact O-N 2.57Å; W253-P255 VanDerWaalsContact CH2-CA 3.49Å; W253-P255 HydrophobicContact CH2-CB 3.86Å; W253-P255 HydrophobicContact CZ3-CB 4.21Å; W253-H261 HydrophobicContact CH2-CB 4.02Å; W253-H261 HydrophobicContact CZ2-CB 4.48Å; W253-V267 HydrophobicContact CE3-CG1 4.39Å; W253-V267 HydrophobicContact CH2-CB 3.83Å; W253-V267 HydrophobicContact CH2-CG1 3.91Å; W253-V267 HydrophobicContact CH2-CG2 4.26Å; W253-V267 HydrophobicContact CZ3-CB 4.08Å; W253-V267 HydrophobicContact CZ3-CG1 3.78Å; W253-H269 HydrophobicContact CE3-CB 3.64Å; W253-H269 AromaticContact CE3-CG 3.94Å; W253-H269 HydrophobicContact CZ3-CB 3.87Å; W253-H269 AromaticContact CZ3-CG 3.91Å
254S90.1Very high90.6Very high86 Ų8665.4 Ų65.460%0.60137%0.367SS*.  trans-131.9147.8174.448.80000109.9
255P90.9Very high90.3Very high46 Ų4666.1 Ų66.130%0.29938%0.375SS..  trans-65.3149.6179.627.6-34.5000111.3W253W253-P255 VanDerWaalsContact CH2-CA 3.49Å; W253-P255 HydrophobicContact CH2-CB 3.86Å; W253-P255 HydrophobicContact CZ3-CB 4.21Å
256P89.1Confident90.1Very high62 Ų6269.1 Ų69.140%0.40340%0.396SS..  trans-61.9148.8174.426.3-33.1000111.7D258P256-D258 VanDerWaalsContact C-N 3.32Å; P256-D258 PolarHBondContact O-N 3.44Å
257E81.4Confident90.1Very high195 Ų19569 Ų6991%0.91140%0.396SS*.SBendtrans-64.7-33.8-177.2-65.8-175.1168.500113
258D78.4Confident90Very high154 Ų15466.9 Ų66.982%0.82439%0.386SS*.SBendtrans-133.4133.2178.4-72.6-45.8000110.8P256P256-D258 VanDerWaalsContact C-N 3.32Å; P256-D258 PolarHBondContact O-N 3.44Å
259G78.6Confident89.8Confident69 Ų6969 Ų6971%0.71140%0.395SS*.SBendtrans108.2-173.8175.100000115.2
260E82.8Confident89.8Confident150 Ų15069.4 Ų69.470%0.70140%0.4SS*.  trans-71.1147.6172.2-65.8-174.7169.600110.4C262E260-C262 VanDerWaalsContact C-N 3.27Å; E260-C262 PolarHBondContact O-N 2.95Å
261H88.4Confident89.9Confident61 Ų6165.4 Ų65.428%0.28238%0.379SS..SBendtrans-60.7-38-177.4-66.1-171.4000112.4W253 G265 V267W253-H261 HydrophobicContact CH2-CB 4.02Å; W253-H261 HydrophobicContact CZ2-CB 4.48Å; H261-G265 WeakPolarHBondContact CB-O 3.47Å; H261-V267 HydrophobicContact CB-CB 4Å; H261-V267 HydrophobicContact CB-CG2 3.64Å; H261-V267 PolarHBondContact ND1-N 3.01Å; H261-V267 VanDerWaalsContact ND1-N 3.11Å; H261-V267 PolarHBondContact ND1-O 2.9Å
262C90.9Very high89.9Confident15 Ų1563.6 Ų63.610%0.10138%0.381CS..BIsolated β-bridgetrans-157.5177.7175.6730000110.5P218 E219 A222 E260 E264 G265 V267P218-C262 HydrophobicContact CB-CB 3.9Å; E219-C262 HydrophobicContact CG-CB 4.1Å; A222-C262 VanDerWaalsContact CB-SG 3.5Å; E260-C262 VanDerWaalsContact C-N 3.27Å; E260-C262 PolarHBondContact O-N 2.95Å; C262-E264 PolarHBondContact O-N 2.88Å; C262-E264 PolarHBondContact SG-N 3.25Å; C262-G265 PolarHBondContact N-O 2.95Å; C262-G265 PolarHBondContact O-N 2.72Å; C262-G265 PolarHBondContact SG-O 3.31Å; C262-G265 VanDerWaalsContact SG-O 3.33Å; C262-V267 HydrophobicContact CB-CG2 4.24Å
263S88.8Confident90Very high53 Ų5360.7 Ų60.737%0.37136%0.356SS..THydrogen-bonded Turntrans-66.4-5.4-178.766.70000115.9R189 E219R189-S263 PolarHBondContact NH1-OG 3.37Å; R189-S263 PolarHBondContact NH2-O 3.15Å; R189-S263 PolarHBondContact NH2-OG 3.34Å; E219-S263 WeakPolarHBondContact CG-OG 3.49Å
264E92.4Very high90.1Very high31 Ų3158 Ų5815%0.14535%0.346CS..THydrogen-bonded Turntrans-110.1-3.9175.3-64.1-67.7173.300112.6R189 Y211 E219 A222 L223 C262R189-E264 IonicContact CZ-OE1 2.92Å; R189-E264 IonicContact NE-OE1 3.54Å; R189-E264 IonicContact NH2-OE1 3.12Å; Y211-E264 HydrophobicContact CE2-CG 3.94Å; Y211-E264 PolarHBondContact OH-OE1 2.63Å; E219-E264 HydrophobicContact CB-CG 4.13Å; E219-E264 HydrophobicContact CG-CG 4.36Å; A222-E264 HydrophobicContact CB-CB 3.73Å; L223-E264 HydrophobicContact CB-CB 4.37Å; L223-E264 HydrophobicContact CB-CG 4.14Å; C262-E264 PolarHBondContact O-N 2.88Å; C262-E264 PolarHBondContact SG-N 3.25Å
265G90.9Very high90.4Very high15 Ų1554.7 Ų54.716%0.15532%0.322CS..BIsolated β-bridgetrans112.6-143.8176.500000113.9H261 C262H261-G265 WeakPolarHBondContact CB-O 3.47Å; C262-G265 PolarHBondContact N-O 2.95Å; C262-G265 PolarHBondContact O-N 2.72Å; C262-G265 PolarHBondContact SG-O 3.31Å; C262-G265 VanDerWaalsContact SG-O 3.33Å
266S91.1Very high90.7Very high63 Ų6359 Ų5944%0.44133%0.332SS..  trans-65.6143.4-177.9-178.40000112.3A222 Q225A222-S266 WeakPolarHBondContact CA-O 3.35Å; A222-S266 WeakPolarHBondContact CB-O 3.45Å; Q225-S266 PolarHBondContact OE1-O 3.45Å
267V95.4Very high91.1Very high0 Ų056.3 Ų56.30%031%0.314CS..  trans-124.3130.7-176.7177.10000109.6P218 N221 A222 L248 W253 H261 C262P218-V267 HydrophobicContact CB-CG1 4.39Å; P218-V267 HydrophobicContact CB-CG2 3.93Å; P218-V267 WeakPolarHBondContact O-CG2 3.33Å; N221-V267 HydrophobicContact CB-CG1 4.13Å; A222-V267 HydrophobicContact CB-CG2 4.01Å; L248-V267 HydrophobicContact CD1-CG1 3.61Å; W253-V267 HydrophobicContact CE3-CG1 4.39Å; W253-V267 HydrophobicContact CH2-CB 3.83Å; W253-V267 HydrophobicContact CH2-CG1 3.91Å; W253-V267 HydrophobicContact CH2-CG2 4.26Å; W253-V267 HydrophobicContact CZ3-CB 4.08Å; W253-V267 HydrophobicContact CZ3-CG1 3.78Å; H261-V267 HydrophobicContact CB-CB 4Å; H261-V267 HydrophobicContact CB-CG2 3.64Å; H261-V267 PolarHBondContact ND1-N 3.01Å; H261-V267 VanDerWaalsContact ND1-N 3.11Å; H261-V267 PolarHBondContact ND1-O 2.9Å; C262-V267 HydrophobicContact CB-CG2 4.24Å
268H95.1Very high91.8Very high14 Ų1447.1 Ų47.17%0.06527%0.271CS..  trans-93.6125.1168.8-62.6151.8000109.8N221 Q225 Y241 E273 V274 F277N221-H268 PolarHBondContact ND2-O 3.42Å; N221-H268 PolarHBondContact OD1-N 3.29Å; N221-H268 PolarHBondContact OD1-O 3.27Å; Q225-H268 PolarHBondContact NE2-CE1 2.96Å; Q225-H268 PolarHBondContact NE2-NE2 3.49Å; Y241-H268 AromaticContact CZ-ND1 3.82Å; Y241-H268 PolarHBondContact OH-ND1 3.31Å; H268-E273 HydrophobicContact CB-CB 3.99Å; H268-V274 HydrophobicContact CB-CG2 3.85Å; H268-F277 AromaticContact CE1-CD2 3.92Å
269H92.9Very high92.6Very high44 Ų4441.9 Ų41.920%0.20424%0.242CC..  trans-125.8-3.6-171.261.2-70.1000112.8L248 M249 W253 E273L248-H269 HydrophobicContact CB-CB 4.42Å; L248-H269 HydrophobicContact CD1-CB 4.44Å; M249-H269 WeakPolarHBondContact CG-O 3.43Å; W253-H269 HydrophobicContact CE3-CB 3.64Å; W253-H269 AromaticContact CE3-CG 3.94Å; W253-H269 HydrophobicContact CZ3-CB 3.87Å; W253-H269 AromaticContact CZ3-CG 3.91Å; H269-E273 IonicContact CE1-OE1 2.67Å; H269-E273 IonicContact CE1-OE2 3.68Å; H269-E273 IonicContact CG-OE2 2.8Å; H269-E273 PolarHBondContact N-OE2 3.34Å; H269-E273 IonicContact ND1-OE1 2.8Å; H269-E273 IonicContact ND1-OE2 2.62Å; H269-E273 PolarHBondContact ND1-OE2 3.25Å
270T93.8Very high93.4Very high53 Ų5342.2 Ų42.233%0.32523%0.225SC..SBendtrans-119.8151.8176.165.90000112A272 E273 V274T270-A272 PolarHBondContact O-N 3.18Å; T270-E273 PolarHBondContact N-OE2 3.15Å; T270-E273 PolarHBondContact O-N 3.23Å; T270-E273 VanDerWaalsContact OG1-CD 3.3Å; T270-E273 WeakPolarHBondContact OG1-CG 3.49Å; T270-E273 PolarHBondContact OG1-N 3.49Å; T270-E273 PolarHBondContact OG1-OE2 3.18Å; T270-V274 PolarHBondContact O-N 3.25Å
271V94.7Very high94Very high7 Ų737.1 Ų37.14%0.04220%0.199CC..Hα-helixtrans-57.1-39.6175.6-1760000111M249 E273 V274 V275 L307 E314 L317M249-V271 HydrophobicContact CE-CG2 3.68Å; M249-V271 HydrophobicContact SD-CG2 3.66Å; V271-E273 PolarHBondContact O-N 2.87Å; V271-V274 PolarHBondContact O-N 3.12Å; V271-V275 HydrophobicContact CG1-CG2 4.06Å; V271-V275 WeakPolarHBondContact O-CB 3.33Å; V271-V275 VanDerWaalsContact O-CG2 3.3Å; V271-V275 WeakPolarHBondContact O-CG2 3.39Å; V271-V275 PolarHBondContact O-N 3.18Å; V271-L307 HydrophobicContact CG1-CD1 3.83Å; V271-L307 HydrophobicContact CG1-CD2 3.96Å; V271-L307 HydrophobicContact CG2-CD2 3.86Å; V271-E314 HydrophobicContact CB-CB 4.39Å; V271-E314 HydrophobicContact CG1-CB 4.03Å; V271-L317 HydrophobicContact CG1-CD2 4.13Å
272A94.7Very high94.4Very high59 Ų5934.3 Ų34.349%0.48819%0.186SC..Hα-helixtrans-62.1-40.7-179.900000113T270 R276 L317T270-A272 PolarHBondContact O-N 3.18Å; A272-R276 VanDerWaalsContact O-CB 3.27Å; A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.22Å; A272-L317 HydrophobicContact CB-CD2 4.36Å
273E95.4Very high94.6Very high42 Ų4239.4 Ų39.420%0.19621%0.207CC..Hα-helixtrans-65.4-43.9176-72.2168.1141.400111.7H268 H269 T270 V271 R276 F277H268-E273 HydrophobicContact CB-CB 3.99Å; H269-E273 IonicContact CE1-OE1 2.67Å; H269-E273 IonicContact CE1-OE2 3.68Å; H269-E273 IonicContact CG-OE2 2.8Å; H269-E273 PolarHBondContact N-OE2 3.34Å; H269-E273 IonicContact ND1-OE1 2.8Å; H269-E273 IonicContact ND1-OE2 2.62Å; H269-E273 PolarHBondContact ND1-OE2 3.25Å; T270-E273 PolarHBondContact N-OE2 3.15Å; T270-E273 PolarHBondContact O-N 3.23Å; T270-E273 VanDerWaalsContact OG1-CD 3.3Å; T270-E273 WeakPolarHBondContact OG1-CG 3.49Å; T270-E273 PolarHBondContact OG1-N 3.49Å; T270-E273 PolarHBondContact OG1-OE2 3.18Å; V271-E273 PolarHBondContact O-N 2.87Å; E273-R276 PolarHBondContact O-N 3.33Å; E273-F277 WeakPolarHBondContact O-CB 3.42Å; E273-F277 PolarHBondContact O-N 3.33Å
274V96.5Very high94.8Very high0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-67.9-42.4-180172.60000111.4Y241 F242 L245 H268 T270 V271 F277 V278 L303Y241-V274 HydrophobicContact CD1-CG1 4.41Å; Y241-V274 HydrophobicContact CE1-CB 4.45Å; Y241-V274 HydrophobicContact CE1-CG1 3.68Å; Y241-V274 HydrophobicContact CE1-CG2 4.25Å; F242-V274 HydrophobicContact CD1-CG1 3.92Å; F242-V274 HydrophobicContact CE1-CG1 3.71Å; L245-V274 HydrophobicContact CB-CG2 4.3Å; L245-V274 HydrophobicContact CD1-CG2 3.81Å; L245-V274 HydrophobicContact CD2-CB 3.96Å; L245-V274 HydrophobicContact CD2-CG1 4.13Å; L245-V274 HydrophobicContact CD2-CG2 3.74Å; L245-V274 HydrophobicContact CG-CG2 4.13Å; H268-V274 HydrophobicContact CB-CG2 3.85Å; T270-V274 PolarHBondContact O-N 3.25Å; V271-V274 PolarHBondContact O-N 3.12Å; V274-F277 WeakPolarHBondContact O-CB 3.48Å; V274-F277 PolarHBondContact O-N 3.23Å; V274-V278 WeakPolarHBondContact O-CG2 3.27Å; V274-V278 PolarHBondContact O-N 2.81Å; V274-L303 HydrophobicContact CG1-CD1 4.28Å; V274-L303 HydrophobicContact CG1-CD2 3.88Å
275V96.1Very high94.8Very high16 Ų1638.4 Ų38.410%0.09720%0.2CC..Hα-helixtrans-59.9-47.9172.5170.10000110.2V271 F277 V278 E279 L303 L317 P318V271-V275 HydrophobicContact CG1-CG2 4.06Å; V271-V275 WeakPolarHBondContact O-CB 3.33Å; V271-V275 VanDerWaalsContact O-CG2 3.3Å; V271-V275 WeakPolarHBondContact O-CG2 3.39Å; V271-V275 PolarHBondContact O-N 3.18Å; V275-F277 VanDerWaalsContact C-N 3.3Å; V275-F277 PolarHBondContact O-N 3.01Å; V275-V278 PolarHBondContact O-N 2.86Å; V275-E279 HydrophobicContact CG1-CG 4.24Å; V275-E279 WeakPolarHBondContact O-CB 3.37Å; V275-E279 WeakPolarHBondContact O-CG 3.41Å; V275-E279 PolarHBondContact O-N 3.1Å; V275-L303 HydrophobicContact CG2-CD2 3.67Å; V275-L317 HydrophobicContact CB-CD2 4.38Å; V275-L317 HydrophobicContact CG1-CG 4.43Å; V275-L317 HydrophobicContact CG2-CD2 4.08Å; V275-L317 HydrophobicContact CG2-CG 4.31Å; V275-P318 HydrophobicContact CG2-CG 4.03Å
276R96.8Very high94.8Very high137 Ų13741 Ų4152%0.51721%0.211SC..Hα-helixtrans-57.5-44.8177.3-178.6-176.464.5-174.6-2.9111.3A272 E273 E279 E280A272-R276 VanDerWaalsContact O-CB 3.27Å; A272-R276 WeakPolarHBondContact O-CB 3.46Å; A272-R276 PolarHBondContact O-N 3.22Å; E273-R276 PolarHBondContact O-N 3.33Å; R276-E279 PolarHBondContact O-N 3.15Å; R276-E280 HydrophobicContact CG-CG 4.39Å; R276-E280 WeakPolarHBondContact CG-OE1 3.33Å; R276-E280 IonicContact NE-OE1 2.64Å; R276-E280 WeakPolarHBondContact O-CB 3.29Å; R276-E280 VanDerWaalsContact O-CG 3.27Å; R276-E280 WeakPolarHBondContact O-CG 3.45Å; R276-E280 PolarHBondContact O-N 3.17Å
277F97.4Very high94.8Very high4 Ų445.6 Ų45.62%0.01823%0.225CC..Hα-helixtrans-59.5-48.2177.8174.5-100.1000112.2Q225 L228 L229 Y241 H268 E273 V274 V275 E280 R281Q225-F277 HydrophobicContact CG-CD2 4.32Å; Q225-F277 HydrophobicContact CG-CE2 3.84Å; Q225-F277 HydrophobicContact CG-CZ 4.16Å; L228-F277 HydrophobicContact CB-CE1 4.13Å; L228-F277 HydrophobicContact CB-CZ 3.92Å; L228-F277 HydrophobicContact CD1-CE1 4.34Å; L229-F277 HydrophobicContact CD2-CE2 3.59Å; L229-F277 HydrophobicContact CD2-CZ 4.32Å; L229-F277 HydrophobicContact CG-CE2 3.84Å; L229-F277 HydrophobicContact CG-CZ 4.3Å; Y241-F277 AromaticContact CE1-CD1 3.73Å; Y241-F277 HydrophobicContact CE1-CD1 3.73Å; Y241-F277 HydrophobicContact CE1-CE1 4.08Å; Y241-F277 AromaticContact CZ-CD1 3.88Å; Y241-F277 WeakPolarHBondContact OH-CD1 3.18Å; H268-F277 AromaticContact CE1-CD2 3.92Å; E273-F277 WeakPolarHBondContact O-CB 3.42Å; E273-F277 PolarHBondContact O-N 3.33Å; V274-F277 WeakPolarHBondContact O-CB 3.48Å; V274-F277 PolarHBondContact O-N 3.23Å; V275-F277 VanDerWaalsContact C-N 3.3Å; V275-F277 PolarHBondContact O-N 3.01Å; F277-E280 PolarHBondContact O-N 3.43Å; F277-R281 HydrophobicContact CE1-CG 4.17Å; F277-R281 HydrophobicContact CE2-CG 4.5Å; F277-R281 HydrophobicContact CZ-CG 4.14Å; F277-R281 WeakPolarHBondContact O-CG 3.47Å; F277-R281 PolarHBondContact O-N 2.96Å
278V96.6Very high94.6Very high2 Ų249.4 Ų49.41%0.01224%0.242CC..Hα-helixtrans-63.2-44.4178.4173.80000110.8F242 V274 V275 E280 R281 I282 P296 A299 R300F242-V278 HydrophobicContact CE1-CG2 4.36Å; F242-V278 HydrophobicContact CZ-CG2 4.4Å; V274-V278 WeakPolarHBondContact O-CG2 3.27Å; V274-V278 PolarHBondContact O-N 2.81Å; V275-V278 PolarHBondContact O-N 2.86Å; V278-E280 PolarHBondContact O-N 3.06Å; V278-R281 WeakPolarHBondContact O-CB 3.35Å; V278-R281 PolarHBondContact O-N 3.01Å; V278-R281 VanDerWaalsContact O-N 3.17Å; V278-I282 HydrophobicContact CG1-CD1 4.08Å; V278-I282 WeakPolarHBondContact O-CG1 3.26Å; V278-I282 PolarHBondContact O-N 3.45Å; V278-P296 WeakPolarHBondContact CG1-O 3.29Å; V278-A299 HydrophobicContact CG1-CB 4.4Å; V278-R300 HydrophobicContact CG1-CB 3.89Å
279E95.5Very high93.9Very high44 Ų4457.3 Ų57.321%0.20628%0.284CS..Hα-helixtrans-62.6-39.3176.2-73.1-59.7136.600112.5V275 R276 R281 I282 K283 R300V275-E279 HydrophobicContact CG1-CG 4.24Å; V275-E279 WeakPolarHBondContact O-CB 3.37Å; V275-E279 WeakPolarHBondContact O-CG 3.41Å; V275-E279 PolarHBondContact O-N 3.1Å; R276-E279 PolarHBondContact O-N 3.15Å; E279-R281 VanDerWaalsContact C-N 3.34Å; E279-I282 PolarHBondContact O-N 3.38Å; E279-K283 VanDerWaalsContact O-CG 3.32Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.99Å; E279-R300 WeakPolarHBondContact OE1-CD 3.26Å; E279-R300 IonicContact OE1-CZ 2.93Å; E279-R300 IonicContact OE1-NE 3.05Å; E279-R300 PolarHBondContact OE1-NE 2.98Å; E279-R300 IonicContact OE1-NH1 2.73Å; E279-R300 PolarHBondContact OE1-NH1 3.46Å; E279-R300 IonicContact OE1-NH2 3.71Å; E279-R300 IonicContact OE2-NH1 3.33Å; E279-R300 PolarHBondContact OE2-NH1 3.11Å
280E95.9Very high93.6Very high76 Ų7658.8 Ų58.836%0.35530%0.299SS..Hα-helixtrans-62.6-41.1173.3-77.1171.6-168.300111.6R276 F277 V278 I282 K283 V284R276-E280 HydrophobicContact CG-CG 4.39Å; R276-E280 WeakPolarHBondContact CG-OE1 3.33Å; R276-E280 IonicContact NE-OE1 2.64Å; R276-E280 WeakPolarHBondContact O-CB 3.29Å; R276-E280 VanDerWaalsContact O-CG 3.27Å; R276-E280 WeakPolarHBondContact O-CG 3.45Å; R276-E280 PolarHBondContact O-N 3.17Å; F277-E280 PolarHBondContact O-N 3.43Å; V278-E280 PolarHBondContact O-N 3.06Å; E280-I282 VanDerWaalsContact C-N 3.34Å; E280-K283 PolarHBondContact O-N 3.13Å; E280-V284 VanDerWaalsContact O-CG2 3.3Å; E280-V284 WeakPolarHBondContact O-CG2 3.31Å; E280-V284 PolarHBondContact O-N 3.37Å
281R95.4Very high93Very high44 Ų4464.2 Ų64.217%0.16631%0.314CS..Hα-helixtrans-62.3-43.5174.3-65-4986.6174.35.1111L229 P232 F277 V278 E279 V284 E285 P296L229-R281 VanDerWaalsContact CD2-CZ 3.49Å; P232-R281 HydrophobicContact CB-CG 4.43Å; F277-R281 HydrophobicContact CE1-CG 4.17Å; F277-R281 HydrophobicContact CE2-CG 4.5Å; F277-R281 HydrophobicContact CZ-CG 4.14Å; F277-R281 WeakPolarHBondContact O-CG 3.47Å; F277-R281 PolarHBondContact O-N 2.96Å; V278-R281 WeakPolarHBondContact O-CB 3.35Å; V278-R281 PolarHBondContact O-N 3.01Å; V278-R281 VanDerWaalsContact O-N 3.17Å; E279-R281 VanDerWaalsContact C-N 3.34Å; R281-V284 PolarHBondContact O-N 3.18Å; R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.42Å; R281-E285 VanDerWaalsContact O-N 3.09Å; R281-P296 HydrophobicContact CB-CB 4.06Å; R281-P296 HydrophobicContact CB-CG 4.12Å
282I95.3Very high92.9Very high2 Ų265.1 Ų65.11%0.0132%0.321CS..Hα-helixtrans-61.3-46.8176.8-68.6168.3000111.1V278 E279 E280 V284 E285 D286 P296 Y297 R300V278-I282 HydrophobicContact CG1-CD1 4.08Å; V278-I282 WeakPolarHBondContact O-CG1 3.26Å; V278-I282 PolarHBondContact O-N 3.45Å; E279-I282 PolarHBondContact O-N 3.38Å; E280-I282 VanDerWaalsContact C-N 3.34Å; I282-V284 VanDerWaalsContact C-N 3.33Å; I282-V284 PolarHBondContact O-N 2.96Å; I282-E285 CarbonylContact O-C 3.58Å; I282-E285 WeakPolarHBondContact O-CA 3.49Å; I282-E285 WeakPolarHBondContact O-CB 3.33Å; I282-E285 PolarHBondContact O-N 3.47Å; I282-D286 PolarHBondContact O-N 3.34Å; I282-P296 HydrophobicContact CG1-CB 3.66Å; I282-Y297 HydrophobicContact CG1-CD1 4.46Å; I282-Y297 HydrophobicContact CG2-CD1 4.22Å; I282-Y297 HydrophobicContact CG2-CE1 3.63Å; I282-R300 HydrophobicContact CD1-CB 4.15Å
283K94.9Very high92.9Very high121 Ų12164.8 Ų64.853%0.52631%0.311SS..Hα-helixtrans-58.3-44.6177.9-74.4174.3-175.5178.70112.2E279 E280 E285 D286 E287E279-K283 VanDerWaalsContact O-CG 3.32Å; E279-K283 WeakPolarHBondContact O-CG 3.47Å; E279-K283 PolarHBondContact O-N 2.99Å; E280-K283 PolarHBondContact O-N 3.13Å; K283-E285 PolarHBondContact O-N 3.19Å; K283-D286 WeakPolarHBondContact O-CB 3.3Å; K283-D286 PolarHBondContact O-N 2.94Å; K283-D286 VanDerWaalsContact O-N 3.1Å; K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 3.37Å
284V93.4Very high92.8Very high61 Ų6166.6 Ų66.637%0.3732%0.315SS..Hα-helixtrans-60.6-35.8174.9171.10000111.3E280 R281 I282 K288E280-V284 VanDerWaalsContact O-CG2 3.3Å; E280-V284 WeakPolarHBondContact O-CG2 3.31Å; E280-V284 PolarHBondContact O-N 3.37Å; R281-V284 PolarHBondContact O-N 3.18Å; I282-V284 VanDerWaalsContact C-N 3.33Å; I282-V284 PolarHBondContact O-N 2.96Å; V284-K288 WeakPolarHBondContact O-CG 3.3Å
285E92.8Very high92.8Very high2 Ų266.8 Ų66.81%0.00932%0.317CS..Hα-helixtrans-75.5-26.2174.4-66.4-54.3130.600114.2R281 I282 K283 K288 S292 L293 P296 Y297R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.42Å; R281-E285 VanDerWaalsContact O-N 3.09Å; I282-E285 CarbonylContact O-C 3.58Å; I282-E285 WeakPolarHBondContact O-CA 3.49Å; I282-E285 WeakPolarHBondContact O-CB 3.33Å; I282-E285 PolarHBondContact O-N 3.47Å; K283-E285 PolarHBondContact O-N 3.19Å; E285-K288 WeakPolarHBondContact OE1-CE 3.45Å; E285-K288 IonicContact OE1-NZ 2.79Å; E285-K288 PolarHBondContact OE1-NZ 3.23Å; E285-K288 IonicContact OE2-NZ 2.6Å; E285-K288 PolarHBondContact OE2-NZ 3.38Å; E285-S292 PolarHBondContact O-OG 3.4Å; E285-S292 VanDerWaalsContact O-OG 3.06Å; E285-L293 HydrophobicContact CG-CB 4.34Å; E285-L293 WeakPolarHBondContact OE2-CG 3.31Å; E285-L293 PolarHBondContact OE2-N 3.06Å; E285-P296 HydrophobicContact CG-CG 4.22Å; E285-Y297 HydrophobicContact CB-CE2 4.33Å
286D91.4Very high92.9Very high71 Ų7166 Ų6638%0.3831%0.313SS..Hα-helixtrans-75.7-33.3175.9-83.4-31.1000112.4I282 K283 K288 Y297 K331I282-D286 PolarHBondContact O-N 3.34Å; K283-D286 WeakPolarHBondContact O-CB 3.3Å; K283-D286 PolarHBondContact O-N 2.94Å; K283-D286 VanDerWaalsContact O-N 3.1Å; D286-K288 VanDerWaalsContact C-N 3.29Å; D286-Y297 PolarHBondContact OD1-OH 3.05Å; D286-K331 WeakPolarHBondContact OD1-CE 3.33Å; D286-K331 IonicContact OD1-NZ 2.9Å; D286-K331 PolarHBondContact OD1-NZ 3.21Å
287E91.6Very high92.9Very high159 Ų15959.9 Ų59.974%0.74329%0.29SS*.SBendtrans-79.8-10.4178.7-70.7173.6-178.300113.2K283K283-E287 WeakPolarHBondContact O-CG 3.44Å; K283-E287 PolarHBondContact O-N 3.37Å
288K90.1Very high92.9Very high80 Ų8060.5 Ų60.535%0.34829%0.293SS..  trans-76.1131.8177.9-80.7173.9-173-179.70111.3V284 E285 D286 S290V284-K288 WeakPolarHBondContact O-CG 3.3Å; E285-K288 WeakPolarHBondContact OE1-CE 3.45Å; E285-K288 IonicContact OE1-NZ 2.79Å; E285-K288 PolarHBondContact OE1-NZ 3.23Å; E285-K288 IonicContact OE2-NZ 2.6Å; E285-K288 PolarHBondContact OE2-NZ 3.38Å; D286-K288 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 3.47Å
289D80.4Confident92.9Very high179 Ų17960.4 Ų60.496%0.95729%0.292SS*.SBendtrans-71.3-17.5166.2-64.9-36.7000112.4
290S85.9Confident92.9Very high75 Ų7560.1 Ų60.152%0.52429%0.289SS..SBendtrans-81.5161.7174.2650000111.9K288 S292K288-S290 PolarHBondContact O-N 3.47Å; S290-S292 PolarHBondContact O-N 3.03Å
291R83.1Confident93Very high168 Ų16856.6 Ų56.663%0.63427%0.273SS*.PPolyproline II helixtrans-54.5123.3176.7-176.6174.3175.7-175.7-8111.8K335R291-K335 VanDerWaalsContact CZ-CE 3.42Å
292S91Very high93.1Very high25 Ų2555.7 Ų55.718%0.17527%0.271CS..PPolyproline II helixtrans-61.9145.2178.6-50.50000112.4E285 S290 F332E285-S292 PolarHBondContact O-OG 3.4Å; E285-S292 VanDerWaalsContact O-OG 3.06Å; S290-S292 PolarHBondContact O-N 3.03Å; S292-F332 WeakPolarHBondContact O-CE1 3.44Å
293L94.6Very high93.1Very high53 Ų5355.6 Ų55.628%0.27727%0.27SS..PPolyproline II helixtrans-79.3149173-62.5171.7000111.6P232 D233 E285 Y297 F332P232-L293 HydrophobicContact CG-CD1 3.83Å; D233-L293 HydrophobicContact CB-CB 4.15Å; D233-L293 HydrophobicContact CB-CD1 4.17Å; D233-L293 HydrophobicContact CB-CD2 4.09Å; D233-L293 HydrophobicContact CB-CG 4.35Å; E285-L293 HydrophobicContact CG-CB 4.34Å; E285-L293 WeakPolarHBondContact OE2-CG 3.31Å; E285-L293 PolarHBondContact OE2-N 3.06Å; L293-Y297 VanDerWaalsContact O-CD2 3.24Å; L293-Y297 WeakPolarHBondContact O-CD2 3.07Å; L293-Y297 VanDerWaalsContact O-CE2 3.29Å; L293-Y297 WeakPolarHBondContact O-CE2 3.48Å; L293-F332 WeakPolarHBondContact O-CZ 3.4Å
294R95.1Very high93.2Very high79 Ų7949.9 Ų49.930%0.29825%0.245SC..SBendtrans-85.6-36.1-173.7-68.4-178.3-64.5151.62.5112.2D233 Y297 L298 F332 C337 D341D233-R294 PolarHBondContact OD1-N 3.49Å; R294-Y297 PolarHBondContact O-N 2.88Å; R294-Y297 VanDerWaalsContact O-N 3.09Å; R294-L298 HydrophobicContact CB-CD1 4.47Å; R294-L298 PolarHBondContact O-N 2.98Å; R294-L298 VanDerWaalsContact O-N 3.15Å; R294-F332 HydrophobicContact CB-CE1 4.48Å; R294-F332 HydrophobicContact CB-CZ 4.41Å; R294-F332 HydrophobicContact CG-CD1 3.66Å; R294-F332 HydrophobicContact CG-CD2 4.45Å; R294-F332 HydrophobicContact CG-CE1 3.53Å; R294-F332 HydrophobicContact CG-CE2 4.34Å; R294-F332 HydrophobicContact CG-CG 4.13Å; R294-F332 HydrophobicContact CG-CZ 3.9Å; R294-C337 PolarHBondContact NH1-SG 3.31Å; R294-D341 WeakPolarHBondContact CD-OD2 3.4Å; R294-D341 IonicContact CZ-OD2 3.38Å; R294-D341 IonicContact NE-OD2 2.72Å; R294-D341 VanDerWaalsContact NH1-CG 3.32Å; R294-D341 IonicContact NH1-OD1 3.41Å; R294-D341 PolarHBondContact NH1-OD1 2.91Å; R294-D341 VanDerWaalsContact NH1-OD1 3.14Å; R294-D341 IonicContact NH1-OD2 2.7Å; R294-D341 PolarHBondContact NH1-OD2 2.9Å
295G96.1Very high93.3Very high4 Ų449.1 Ų49.14%0.04124%0.238CC..Hα-helixtrans-46.7-52.1-173.300000113.8D233 Y297 L298 A299D233-G295 WeakPolarHBondContact OD1-CA 3.41Å; D233-G295 PolarHBondContact OD1-N 3.48Å; G295-Y297 VanDerWaalsContact C-N 3.32Å; G295-Y297 PolarHBondContact O-N 2.88Å; G295-L298 PolarHBondContact O-N 2.85Å; G295-A299 VanDerWaalsContact O-CB 3.28Å; G295-A299 WeakPolarHBondContact O-CB 3.48Å; G295-A299 PolarHBondContact O-N 3.32Å
296P96.6Very high93.4Very high0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-59.9-38.4-178.9-29.439000114.2P232 V278 R281 I282 E285 A299 R300P232-P296 HydrophobicContact CB-CG 3.93Å; P232-P296 WeakPolarHBondContact O-CD 3.23Å; V278-P296 WeakPolarHBondContact CG1-O 3.29Å; R281-P296 HydrophobicContact CB-CB 4.06Å; R281-P296 HydrophobicContact CB-CG 4.12Å; I282-P296 HydrophobicContact CG1-CB 3.66Å; E285-P296 HydrophobicContact CG-CG 4.22Å; P296-A299 PolarHBondContact O-N 2.97Å; P296-R300 PolarHBondContact O-N 2.94Å
297Y97Very high93.5Very high9 Ų947.2 Ų47.24%0.03523%0.225CC..Hα-helixtrans-72-38.5179.9-59.9-95.4000111.8I282 E285 D286 L293 R294 G295 R300 L301 K331 F332I282-Y297 HydrophobicContact CG1-CD1 4.46Å; I282-Y297 HydrophobicContact CG2-CD1 4.22Å; I282-Y297 HydrophobicContact CG2-CE1 3.63Å; E285-Y297 HydrophobicContact CB-CE2 4.33Å; D286-Y297 PolarHBondContact OD1-OH 3.05Å; L293-Y297 VanDerWaalsContact O-CD2 3.24Å; L293-Y297 WeakPolarHBondContact O-CD2 3.07Å; L293-Y297 VanDerWaalsContact O-CE2 3.29Å; L293-Y297 WeakPolarHBondContact O-CE2 3.48Å; R294-Y297 PolarHBondContact O-N 2.88Å; R294-Y297 VanDerWaalsContact O-N 3.09Å; G295-Y297 VanDerWaalsContact C-N 3.32Å; G295-Y297 PolarHBondContact O-N 2.88Å; Y297-R300 PolarHBondContact O-N 3.44Å; Y297-L301 PolarHBondContact O-N 2.82Å; Y297-K331 HydrophobicContact CD1-CD 4.25Å; Y297-K331 HydrophobicContact CE1-CD 3.43Å; Y297-K331 VanDerWaalsContact CE1-CD 3.43Å; Y297-K331 HydrophobicContact CE2-CD 4.31Å; Y297-K331 VanDerWaalsContact CZ-CD 3.47Å; Y297-K331 WeakPolarHBondContact OH-CD 3.33Å; Y297-K331 WeakPolarHBondContact OH-CE 3.05Å; Y297-K331 PolarHBondContact OH-NZ 3.38Å; Y297-F332 AromaticContact CD2-CE2 3.73Å; Y297-F332 HydrophobicContact CD2-CE2 3.73Å; Y297-F332 AromaticContact CD2-CZ 3.87Å; Y297-F332 HydrophobicContact CD2-CZ 3.87Å; Y297-F332 HydrophobicContact CE2-CE2 4.13Å; Y297-F332 AromaticContact CE2-CZ 3.98Å; Y297-F332 HydrophobicContact CE2-CZ 3.98Å; Y297-F332 HydrophobicContact CG-CE2 4Å
298L97.6Very high93.6Very high16 Ų1643.6 Ų43.68%0.08421%0.205CC..Hα-helixtrans-69.6-37174.2-64.7178.6000111.5W235 R294 G295 R300 L301 E302 F328 D341 Y345W235-L298 HydrophobicContact CE3-CB 4.44Å; W235-L298 HydrophobicContact CH2-CB 3.73Å; W235-L298 HydrophobicContact CZ3-CB 3.48Å; W235-L298 VanDerWaalsContact CZ3-CB 3.48Å; R294-L298 HydrophobicContact CB-CD1 4.47Å; R294-L298 PolarHBondContact O-N 2.98Å; R294-L298 VanDerWaalsContact O-N 3.15Å; G295-L298 PolarHBondContact O-N 2.85Å; L298-R300 PolarHBondContact O-N 3.17Å; L298-L301 HydrophobicContact CD2-CD1 4.47Å; L298-L301 WeakPolarHBondContact O-CB 3.42Å; L298-L301 PolarHBondContact O-N 3.29Å; L298-L301 VanDerWaalsContact O-N 3.09Å; L298-E302 WeakPolarHBondContact O-CB 3.4Å; L298-E302 PolarHBondContact O-N 3.46Å; L298-F328 HydrophobicContact CD1-CE2 4.48Å; L298-F328 HydrophobicContact CD2-CD2 4.05Å; L298-F328 HydrophobicContact CD2-CE1 4.43Å; L298-F328 HydrophobicContact CD2-CE2 3.47Å; L298-F328 VanDerWaalsContact CD2-CE2 3.47Å; L298-F328 HydrophobicContact CD2-CZ 3.68Å; L298-F328 HydrophobicContact CG-CE2 3.71Å; L298-F328 HydrophobicContact CG-CZ 4.13Å; L298-D341 HydrophobicContact CD1-CB 4.14Å; L298-D341 HydrophobicContact CD2-CB 3.97Å; L298-Y345 HydrophobicContact CD2-CE2 4.11Å
299A97.3Very high93.8Very high0 Ų046.6 Ų46.60%022%0.22CC..Hα-helixtrans-60.5-35.1177.300000112W235 Y238 F242 V278 G295 P296 E302 L303W235-A299 HydrophobicContact CZ3-CB 4.34Å; Y238-A299 HydrophobicContact CD1-CB 3.39Å; Y238-A299 HydrophobicContact CD2-CB 4.11Å; Y238-A299 HydrophobicContact CE1-CB 3.23Å; Y238-A299 HydrophobicContact CE2-CB 3.96Å; Y238-A299 HydrophobicContact CG-CB 3.84Å; F242-A299 HydrophobicContact CE2-CB 4.37Å; F242-A299 HydrophobicContact CZ-CB 4.03Å; F242-A299 VanDerWaalsContact CZ-O 3.32Å; F242-A299 WeakPolarHBondContact CZ-O 3.39Å; V278-A299 HydrophobicContact CG1-CB 4.4Å; G295-A299 VanDerWaalsContact O-CB 3.28Å; G295-A299 WeakPolarHBondContact O-CB 3.48Å; G295-A299 PolarHBondContact O-N 3.32Å; P296-A299 PolarHBondContact O-N 2.97Å; A299-E302 PolarHBondContact O-N 2.92Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 2.88Å
300R96.2Very high94.3Very high38 Ų3843 Ų4314%0.14319%0.193CC..Hα-helixtrans-64.4-43.1173.7-171.8-178.5168.5165.9-5.7112.5V278 E279 I282 P296 Y297 L298 M304 P318 L324V278-R300 HydrophobicContact CG1-CB 3.89Å; E279-R300 WeakPolarHBondContact OE1-CD 3.26Å; E279-R300 IonicContact OE1-CZ 2.93Å; E279-R300 IonicContact OE1-NE 3.05Å; E279-R300 PolarHBondContact OE1-NE 2.98Å; E279-R300 IonicContact OE1-NH1 2.73Å; E279-R300 PolarHBondContact OE1-NH1 3.46Å; E279-R300 IonicContact OE1-NH2 3.71Å; E279-R300 IonicContact OE2-NH1 3.33Å; E279-R300 PolarHBondContact OE2-NH1 3.11Å; I282-R300 HydrophobicContact CD1-CB 4.15Å; P296-R300 PolarHBondContact O-N 2.94Å; Y297-R300 PolarHBondContact O-N 3.44Å; L298-R300 PolarHBondContact O-N 3.17Å; R300-M304 PolarHBondContact O-N 3.23Å; R300-P318 HydrophobicContact CG-CB 4.1Å; R300-P318 PolarHBondContact NE-O 3.44Å; R300-P318 PolarHBondContact NH2-O 2.94Å; R300-L324 HydrophobicContact CG-CD1 4.06Å
301L97Very high94.6Very high2 Ų242.4 Ų42.41%0.0120%0.199CC..Hα-helixtrans-67-41.2174.8-73.4170.9000111.8Y297 L298 M304 H305 L324 M325 L342 Y345Y297-L301 PolarHBondContact O-N 2.82Å; L298-L301 HydrophobicContact CD2-CD1 4.47Å; L298-L301 WeakPolarHBondContact O-CB 3.42Å; L298-L301 PolarHBondContact O-N 3.29Å; L298-L301 VanDerWaalsContact O-N 3.09Å; L301-M304 HydrophobicContact CD2-CE 3.73Å; L301-M304 PolarHBondContact O-N 3.46Å; L301-H305 WeakPolarHBondContact O-CB 3.07Å; L301-H305 PolarHBondContact O-N 3.17Å; L301-L324 HydrophobicContact CD2-CB 3.65Å; L301-L324 HydrophobicContact CD2-CD1 4.03Å; L301-L324 HydrophobicContact CD2-CG 4.45Å; L301-L324 HydrophobicContact CG-CB 4.38Å; L301-M325 HydrophobicContact CD1-CG 4.4Å; L301-M325 HydrophobicContact CD2-CG 4.15Å; L301-L342 HydrophobicContact CD1-CD2 4.34Å; L301-Y345 HydrophobicContact CB-CD1 4.23Å; L301-Y345 HydrophobicContact CB-CD2 4.02Å; L301-Y345 HydrophobicContact CB-CE1 4.34Å; L301-Y345 HydrophobicContact CB-CE2 4.14Å; L301-Y345 HydrophobicContact CB-CG 4.08Å; L301-Y345 HydrophobicContact CD1-CD2 3.91Å; L301-Y345 HydrophobicContact CD1-CE2 4.46Å; L301-Y345 HydrophobicContact CD1-CG 4.38Å
302E97.2Very high94.9Very high25 Ų2536.5 Ų36.512%0.11718%0.177CC..Hα-helixtrans-62.6-46.2177.5-177.663.9-165.700112.1W235 F242 L298 A299 M304 H305 R306 Y345W235-E302 HydrophobicContact CH2-CB 3.97Å; W235-E302 HydrophobicContact CH2-CG 4.31Å; W235-E302 HydrophobicContact CZ2-CB 4.45Å; W235-E302 HydrophobicContact CZ2-CG 4.35Å; F242-E302 HydrophobicContact CD2-CG 3.96Å; F242-E302 HydrophobicContact CE2-CB 4.05Å; F242-E302 HydrophobicContact CE2-CG 3.87Å; L298-E302 WeakPolarHBondContact O-CB 3.4Å; L298-E302 PolarHBondContact O-N 3.46Å; A299-E302 PolarHBondContact O-N 2.92Å; E302-M304 VanDerWaalsContact C-N 3.34Å; E302-M304 PolarHBondContact O-N 3.03Å; E302-H305 WeakPolarHBondContact O-CB 3.49Å; E302-H305 PolarHBondContact O-N 3.47Å; E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 2.91Å; E302-R306 IonicContact OE1-CZ 2.92Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.29Å; E302-R306 PolarHBondContact OE1-NE 3.23Å; E302-R306 IonicContact OE1-NH2 3.81Å; E302-R306 PolarHBondContact OE1-NH2 3.45Å; E302-Y345 HydrophobicContact CB-CE1 4.36Å; E302-Y345 VanDerWaalsContact OE2-CE1 3.22Å; E302-Y345 WeakPolarHBondContact OE2-CE1 3.43Å; E302-Y345 PolarHBondContact OE2-OH 3.44Å
303L96.3Very high94.7Very high1 Ų140.6 Ų40.61%0.00520%0.203CC..Hα-helixtrans-59.3-46.8176.9177.759.9000111.2F242 L245 F246 V274 V275 A299 H305 R306 L307 P318F242-L303 HydrophobicContact CD1-CB 4.48Å; F242-L303 HydrophobicContact CD1-CD1 3.85Å; F242-L303 HydrophobicContact CE1-CB 3.97Å; F242-L303 HydrophobicContact CE1-CD1 4Å; F242-L303 HydrophobicContact CE1-CD2 4.28Å; F242-L303 HydrophobicContact CE1-CG 4.31Å; F242-L303 HydrophobicContact CE2-CB 4.27Å; F242-L303 HydrophobicContact CG-CD1 4.4Å; F242-L303 HydrophobicContact CZ-CB 3.84Å; L245-L303 HydrophobicContact CD2-CD1 4.42Å; F246-L303 HydrophobicContact CZ-CD1 4.32Å; V274-L303 HydrophobicContact CG1-CD1 4.28Å; V274-L303 HydrophobicContact CG1-CD2 3.88Å; V275-L303 HydrophobicContact CG2-CD2 3.67Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 2.88Å; L303-H305 VanDerWaalsContact C-N 3.33Å; L303-H305 PolarHBondContact O-N 3.2Å; L303-R306 PolarHBondContact O-N 3.38Å; L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CG 4.25Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.14Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.36Å; L303-P318 HydrophobicContact CD2-CG 4.37Å; L303-P318 HydrophobicContact CG-CG 4.4Å
304M95.6Very high94.3Very high0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-60-43.2175.6178-178.273.900111.7R300 L301 E302 R306 L307 R308 P318 P321 L324 L348R300-M304 PolarHBondContact O-N 3.23Å; L301-M304 HydrophobicContact CD2-CE 3.73Å; L301-M304 PolarHBondContact O-N 3.46Å; E302-M304 VanDerWaalsContact C-N 3.34Å; E302-M304 PolarHBondContact O-N 3.03Å; M304-R306 PolarHBondContact O-N 3.26Å; M304-L307 PolarHBondContact O-N 3.41Å; M304-R308 WeakPolarHBondContact O-CB 3.19Å; M304-R308 PolarHBondContact O-N 3.36Å; M304-P318 HydrophobicContact CB-CB 4.24Å; M304-P318 HydrophobicContact CB-CG 4.13Å; M304-P321 HydrophobicContact CE-CB 3.46Å; M304-P321 VanDerWaalsContact CE-CB 3.46Å; M304-P321 HydrophobicContact CE-CG 3.57Å; M304-P321 HydrophobicContact SD-CB 4.04Å; M304-P321 HydrophobicContact SD-CG 3.56Å; M304-P321 VanDerWaalsContact SD-CG 3.56Å; M304-L324 HydrophobicContact CE-CD1 4.31Å; M304-L324 HydrophobicContact SD-CD1 4.01Å; M304-L348 HydrophobicContact CE-CB 4.26Å; M304-L348 HydrophobicContact CE-CD1 3.37Å; M304-L348 HydrophobicContact CE-CG 4.27Å
305H95.5Very high93.9Very high45 Ų4540.6 Ų40.621%0.20821%0.205CC..Hα-helixtrans-57.9-48.5176171.427.6000112L301 E302 L303 R308 E309 Y345 H347 L348L301-H305 WeakPolarHBondContact O-CB 3.07Å; L301-H305 PolarHBondContact O-N 3.17Å; E302-H305 WeakPolarHBondContact O-CB 3.49Å; E302-H305 PolarHBondContact O-N 3.47Å; L303-H305 VanDerWaalsContact C-N 3.33Å; L303-H305 PolarHBondContact O-N 3.2Å; H305-R308 PolarHBondContact O-N 2.93Å; H305-E309 WeakPolarHBondContact O-CB 3.03Å; H305-E309 PolarHBondContact O-N 3.31Å; H305-Y345 HydrophobicContact CB-CD1 4.48Å; H305-Y345 HydrophobicContact CB-CE1 4.48Å; H305-H347 AromaticContact CE1-NE2 3.26Å; H305-H347 PolarHBondContact CE1-NE2 3.48Å; H305-H347 VanDerWaalsContact CE1-NE2 3.26Å; H305-H347 AromaticContact CG-NE2 3.66Å; H305-H347 AromaticContact ND1-NE2 3.15Å; H305-H347 PolarHBondContact ND1-NE2 3.35Å; H305-H347 VanDerWaalsContact ND1-NE2 3.15Å; H305-H347 AromaticContact NE2-NE2 3.74Å; H305-L348 HydrophobicContact CB-CD1 4.07Å; H305-L348 HydrophobicContact CB-CD2 4.07Å
306R95.6Very high93.4Very high34 Ų3443.9 Ų43.913%0.12822%0.221CC..Hα-helixtrans-68.7-38.2-179.3-65.8-175.5-171.7-149.6-0.1112.8P239 D243 F246 E302 L303 M304 R308 E309 R310P239-R306 PolarHBondContact O-NH1 3.1Å; D243-R306 IonicContact OD1-CZ 2.92Å; D243-R306 IonicContact OD1-NH1 2.77Å; D243-R306 PolarHBondContact OD1-NH1 3.17Å; D243-R306 IonicContact OD2-NH1 3.31Å; D243-R306 PolarHBondContact OD2-NH1 3.41Å; D243-R306 VanDerWaalsContact OD2-NH1 3.08Å; F246-R306 HydrophobicContact CE2-CB 3.54Å; F246-R306 HydrophobicContact CE2-CG 4.32Å; F246-R306 HydrophobicContact CZ-CB 3.66Å; E302-R306 WeakPolarHBondContact O-CG 3.42Å; E302-R306 PolarHBondContact O-N 2.91Å; E302-R306 IonicContact OE1-CZ 2.92Å; E302-R306 VanDerWaalsContact OE1-CZ 3.27Å; E302-R306 IonicContact OE1-NE 3.29Å; E302-R306 PolarHBondContact OE1-NE 3.23Å; E302-R306 IonicContact OE1-NH2 3.81Å; E302-R306 PolarHBondContact OE1-NH2 3.45Å; L303-R306 PolarHBondContact O-N 3.38Å; M304-R306 PolarHBondContact O-N 3.26Å; R306-R308 VanDerWaalsContact C-N 3.35Å; R306-E309 PolarHBondContact O-N 3.43Å; R306-R310 PolarHBondContact O-N 3.48Å
307L94.5Very high93.1Very high0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-60.2-45.3174.6-74.5165.5000111.4F246 V271 L303 M304 R310 G311 Y312 E315 P318F246-L307 HydrophobicContact CE1-CD2 3.78Å; F246-L307 HydrophobicContact CE1-CG 4.32Å; F246-L307 HydrophobicContact CZ-CD2 4.29Å; F246-L307 HydrophobicContact CZ-CG 4.33Å; V271-L307 HydrophobicContact CG1-CD1 3.83Å; V271-L307 HydrophobicContact CG1-CD2 3.96Å; V271-L307 HydrophobicContact CG2-CD2 3.86Å; L303-L307 HydrophobicContact CD1-CD1 4.13Å; L303-L307 HydrophobicContact CD1-CG 4.25Å; L303-L307 HydrophobicContact CG-CD1 3.92Å; L303-L307 HydrophobicContact CG-CG 4.49Å; L303-L307 WeakPolarHBondContact O-CB 3.14Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 3.36Å; M304-L307 PolarHBondContact O-N 3.41Å; L307-R310 PolarHBondContact O-N 2.92Å; L307-G311 PolarHBondContact O-N 3.47Å; L307-Y312 HydrophobicContact CD2-CD2 3.97Å; L307-Y312 HydrophobicContact CD2-CG 4.17Å; L307-Y312 PolarHBondContact O-N 2.97Å; L307-E315 HydrophobicContact CB-CB 4.1Å; L307-P318 HydrophobicContact CD1-CG 4Å
308R93.7Very high92.8Very high82 Ų8247.9 Ų47.931%0.30924%0.243SC..Hα-helixtrans-64.8-44176.8-178.5173.2-64.8171.14112.4M304 H305 R306 R310 G311 E315 L348M304-R308 WeakPolarHBondContact O-CB 3.19Å; M304-R308 PolarHBondContact O-N 3.36Å; H305-R308 PolarHBondContact O-N 2.93Å; R306-R308 VanDerWaalsContact C-N 3.35Å; R308-R310 VanDerWaalsContact C-N 3.28Å; R308-R310 PolarHBondContact O-N 3.34Å; R308-G311 PolarHBondContact O-N 3.39Å; R308-G311 VanDerWaalsContact O-N 3.15Å; R308-E315 HydrophobicContact CB-CB 4.44Å; R308-E315 VanDerWaalsContact CB-OE2 3.3Å; R308-E315 WeakPolarHBondContact CB-OE2 3.38Å; R308-E315 WeakPolarHBondContact CG-OE2 3.28Å; R308-E315 IonicContact CZ-OE2 3.01Å; R308-E315 IonicContact NE-OE2 3.84Å; R308-E315 PolarHBondContact NE-OE2 3.21Å; R308-L348 PolarHBondContact NH1-O 3.01Å
309E93.3Very high92.5Very high143 Ų14348 Ų4867%0.66825%0.248SC*.Hα-helixtrans-60.9-38.3178.2-175.1179.1-156.900112.1H305 R306H305-E309 WeakPolarHBondContact O-CB 3.03Å; H305-E309 PolarHBondContact O-N 3.31Å; R306-E309 PolarHBondContact O-N 3.43Å
310R92.3Very high92.3Very high104 Ų10452.4 Ų52.439%0.39227%0.269SS..Hα-helixtrans-82.9-10.1176.5-69.7-173.3172-1328.7114.3F246 D250 R306 L307 R308 Y312F246-R310 VanDerWaalsContact CB-NH1 3.31Å; D250-R310 IonicContact OD2-NH1 2.87Å; D250-R310 PolarHBondContact OD2-NH1 3.44Å; R306-R310 PolarHBondContact O-N 3.48Å; L307-R310 PolarHBondContact O-N 2.92Å; R308-R310 VanDerWaalsContact C-N 3.28Å; R308-R310 PolarHBondContact O-N 3.34Å; R310-Y312 HydrophobicContact CB-CD2 3.68Å; R310-Y312 HydrophobicContact CB-CE2 3.65Å; R310-Y312 HydrophobicContact CG-CE2 4.36Å
311G90.9Very high92.2Very high63 Ų6350.8 Ų50.865%0.64926%0.263SS*.THydrogen-bonded Turntrans75.728.917800000115.2L307 R308L307-G311 PolarHBondContact O-N 3.47Å; R308-G311 PolarHBondContact O-N 3.39Å; R308-G311 VanDerWaalsContact O-N 3.15Å
312Y89.6Confident92.2Very high44 Ų4451.1 Ų51.117%0.17327%0.265CS..  trans-74.8138.3176-75-74.5000111.8F246 M249 D250 L307 R310 E314 E315F246-Y312 HydrophobicContact CD1-CD2 4.41Å; F246-Y312 AromaticContact CD1-CE2 3.74Å; F246-Y312 HydrophobicContact CD1-CE2 3.74Å; F246-Y312 HydrophobicContact CE1-CD2 4.19Å; F246-Y312 AromaticContact CE1-CE2 3.97Å; F246-Y312 HydrophobicContact CE1-CE2 3.97Å; M249-Y312 HydrophobicContact CE-CD1 3.91Å; M249-Y312 HydrophobicContact CE-CE1 3.48Å; M249-Y312 VanDerWaalsContact CE-CE1 3.48Å; M249-Y312 HydrophobicContact CE-CE2 4.47Å; D250-Y312 PolarHBondContact OD1-OH 3.33Å; L307-Y312 HydrophobicContact CD2-CD2 3.97Å; L307-Y312 HydrophobicContact CD2-CG 4.17Å; L307-Y312 PolarHBondContact O-N 2.97Å; R310-Y312 HydrophobicContact CB-CD2 3.68Å; R310-Y312 HydrophobicContact CB-CE2 3.65Å; R310-Y312 HydrophobicContact CG-CE2 4.36Å; Y312-E314 PolarHBondContact O-N 3.21Å; Y312-E315 WeakPolarHBondContact O-CB 3.4Å; Y312-E315 PolarHBondContact O-N 3.27Å; Y312-E315 VanDerWaalsContact O-N 3.15Å
313P85.9Confident92.1Very high110 Ų11053.6 Ų53.671%0.71428%0.279SS*.G310 helixtrans-65.9-22.2179.726.9-33.4000113.1E315P313-E315 PolarHBondContact O-N 3.45Å
314E86.6Confident92.1Very high78 Ų7854 Ų5436%0.36428%0.281SS..G310 helixtrans-76.89.4175.2-57.184.5174.300113.6V271 Y312 N316 L317V271-E314 HydrophobicContact CB-CB 4.39Å; V271-E314 HydrophobicContact CG1-CB 4.03Å; Y312-E314 PolarHBondContact O-N 3.21Å; E314-N316 PolarHBondContact O-N 3.33Å; E314-L317 HydrophobicContact CB-CB 4.23Å; E314-L317 WeakPolarHBondContact O-CB 3.49Å; E314-L317 PolarHBondContact O-N 2.95Å
315E86.3Confident92.3Very high54 Ų5454 Ų5425%0.25228%0.281SS..G310 helixtrans-54.4-28.3-179.461160.9179.200114.3L307 R308 Y312 P313 P318L307-E315 HydrophobicContact CB-CB 4.1Å; R308-E315 HydrophobicContact CB-CB 4.44Å; R308-E315 VanDerWaalsContact CB-OE2 3.3Å; R308-E315 WeakPolarHBondContact CB-OE2 3.38Å; R308-E315 WeakPolarHBondContact CG-OE2 3.28Å; R308-E315 IonicContact CZ-OE2 3.01Å; R308-E315 IonicContact NE-OE2 3.84Å; R308-E315 PolarHBondContact NE-OE2 3.21Å; Y312-E315 WeakPolarHBondContact O-CB 3.4Å; Y312-E315 PolarHBondContact O-N 3.27Å; Y312-E315 VanDerWaalsContact O-N 3.15Å; P313-E315 PolarHBondContact O-N 3.45Å; E315-P318 WeakPolarHBondContact O-CD 3.35Å
316N86.9Confident92.4Very high74 Ų7451.9 Ų51.940%0.39627%0.271SS..G310 helixtrans-93.5-2.6180-60.7-45000112.9E314 G319E314-N316 PolarHBondContact O-N 3.33Å; N316-G319 WeakPolarHBondContact O-CA 3.46Å; N316-G319 PolarHBondContact O-N 2.95Å
317L90.1Very high92.4Very high91 Ų9153 Ų5348%0.47628%0.277SS..THydrogen-bonded Turntrans-61-38.9177.6-168.669.9000112.8V271 A272 V275 E314 G319V271-L317 HydrophobicContact CG1-CD2 4.13Å; A272-L317 HydrophobicContact CB-CD2 4.36Å; V275-L317 HydrophobicContact CB-CD2 4.38Å; V275-L317 HydrophobicContact CG1-CG 4.43Å; V275-L317 HydrophobicContact CG2-CD2 4.08Å; V275-L317 HydrophobicContact CG2-CG 4.31Å; E314-L317 HydrophobicContact CB-CB 4.23Å; E314-L317 WeakPolarHBondContact O-CB 3.49Å; E314-L317 PolarHBondContact O-N 2.95Å; L317-G319 PolarHBondContact O-N 3.38Å
318P89.4Confident92.5Very high2 Ų253 Ų531%0.01328%0.278CS..THydrogen-bonded Turntrans-65-20.7170.3-20.233.4000113.6V275 R300 L303 M304 L307 E315V275-P318 HydrophobicContact CG2-CG 4.03Å; R300-P318 HydrophobicContact CG-CB 4.1Å; R300-P318 PolarHBondContact NE-O 3.44Å; R300-P318 PolarHBondContact NH2-O 2.94Å; L303-P318 HydrophobicContact CD2-CG 4.37Å; L303-P318 HydrophobicContact CG-CG 4.4Å; M304-P318 HydrophobicContact CB-CB 4.24Å; M304-P318 HydrophobicContact CB-CG 4.13Å; L307-P318 HydrophobicContact CD1-CG 4Å; E315-P318 WeakPolarHBondContact O-CD 3.35Å
319G92.2Very high92.7Very high18 Ų1849.1 Ų49.119%0.18626%0.263CS..  trans117.3-175.1179.700000114.2N316 L317N316-G319 WeakPolarHBondContact O-CA 3.46Å; N316-G319 PolarHBondContact O-N 2.95Å; L317-G319 PolarHBondContact O-N 3.38Å
320E93.4Very high92.9Very high93 Ų9348.5 Ų48.544%0.43526%0.255SS..  trans-83.1122.7-174.3-73.3-62.6138.400112.8L322 N323 L324E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.33Å; E320-L322 VanDerWaalsContact O-N 3.11Å; E320-N323 HydrophobicContact CB-CB 4.28Å; E320-N323 PolarHBondContact O-N 2.87Å; E320-L324 WeakPolarHBondContact O-CG 3.44Å; E320-L324 PolarHBondContact O-N 2.65Å; E320-L324 VanDerWaalsContact O-N 3.08Å
321P94.6Very high93Very high4 Ų446.7 Ų46.73%0.02625%0.25CC..Hα-helixtrans-49.5-46.5-172.8-21.221000114.2M304 N323 L324 M325 L348 L349M304-P321 HydrophobicContact CE-CB 3.46Å; M304-P321 VanDerWaalsContact CE-CB 3.46Å; M304-P321 HydrophobicContact CE-CG 3.57Å; M304-P321 HydrophobicContact SD-CB 4.04Å; M304-P321 HydrophobicContact SD-CG 3.56Å; M304-P321 VanDerWaalsContact SD-CG 3.56Å; P321-N323 VanDerWaalsContact C-N 3.34Å; P321-N323 PolarHBondContact O-N 3.12Å; P321-L324 PolarHBondContact O-N 2.91Å; P321-M325 WeakPolarHBondContact O-CG 3.3Å; P321-M325 PolarHBondContact O-N 3.13Å; P321-L348 HydrophobicContact CB-CB 3.96Å; P321-L348 HydrophobicContact CG-CB 4.31Å; P321-L349 HydrophobicContact CB-CD2 4.27Å
322L96Very high93.2Very high9 Ų944 Ų445%0.04722%0.22CC..Hα-helixtrans-59.6-43.7-179.7-173.5155.5000111.6E320 V326 L349 Q353 Q356 F357E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.33Å; E320-L322 VanDerWaalsContact O-N 3.11Å; L322-V326 HydrophobicContact CD2-CG2 4.26Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.4Å; L322-V326 PolarHBondContact O-N 3.08Å; L322-V326 VanDerWaalsContact O-N 3.07Å; L322-L349 HydrophobicContact CB-CD2 3.83Å; L322-L349 HydrophobicContact CG-CD2 4.42Å; L322-Q353 HydrophobicContact CD1-CB 4.04Å; L322-Q353 HydrophobicContact CD1-CG 4.13Å; L322-Q356 HydrophobicContact CD1-CG 4.39Å; L322-F357 HydrophobicContact CD1-CB 4.26Å; L322-F357 HydrophobicContact CG-CB 4.41Å; L322-F357 HydrophobicContact CG-CD2 4.23Å
323N96Very high93.5Very high76 Ų7641.9 Ų41.941%0.40621%0.212SC..Hα-helixtrans-68.1-38.4178.5-72.3-37.4000111.9E320 P321 V326 Q327 R360E320-N323 HydrophobicContact CB-CB 4.28Å; E320-N323 PolarHBondContact O-N 2.87Å; P321-N323 VanDerWaalsContact C-N 3.34Å; P321-N323 PolarHBondContact O-N 3.12Å; N323-V326 PolarHBondContact O-N 3.38Å; N323-Q327 WeakPolarHBondContact O-CB 3.36Å; N323-Q327 PolarHBondContact O-N 3.36Å; N323-R360 PolarHBondContact OD1-NH1 3.01Å; N323-R360 PolarHBondContact OD1-NH2 2.7Å
324L96.7Very high94Very high10 Ų1037.7 Ų37.75%0.05218%0.183CC..Hα-helixtrans-63.8-45.1178.4-56.4-168.3000111.4R300 L301 M304 E320 P321 Q327 F328R300-L324 HydrophobicContact CG-CD1 4.06Å; L301-L324 HydrophobicContact CD2-CB 3.65Å; L301-L324 HydrophobicContact CD2-CD1 4.03Å; L301-L324 HydrophobicContact CD2-CG 4.45Å; L301-L324 HydrophobicContact CG-CB 4.38Å; M304-L324 HydrophobicContact CE-CD1 4.31Å; M304-L324 HydrophobicContact SD-CD1 4.01Å; E320-L324 WeakPolarHBondContact O-CG 3.44Å; E320-L324 PolarHBondContact O-N 2.65Å; E320-L324 VanDerWaalsContact O-N 3.08Å; P321-L324 PolarHBondContact O-N 2.91Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 3.41Å; L324-F328 WeakPolarHBondContact O-CB 3.24Å; L324-F328 PolarHBondContact O-N 3.39Å
325M98.1Very high94.5Very high0 Ų036.2 Ų36.20%018%0.176CC..Hα-helixtrans-66-39.8177.5-67.3-179.8167.600112.4L301 P321 Q327 F328 F329 L342 Y345 L346 L349 F357L301-M325 HydrophobicContact CD1-CG 4.4Å; L301-M325 HydrophobicContact CD2-CG 4.15Å; P321-M325 WeakPolarHBondContact O-CG 3.3Å; P321-M325 PolarHBondContact O-N 3.13Å; M325-Q327 VanDerWaalsContact C-N 3.35Å; M325-F328 PolarHBondContact O-N 3.48Å; M325-F329 WeakPolarHBondContact O-CB 3.38Å; M325-F329 PolarHBondContact O-N 2.76Å; M325-L342 HydrophobicContact CB-CD2 4.11Å; M325-L342 HydrophobicContact CG-CD2 4.01Å; M325-Y345 VanDerWaalsContact CE-CB 3.41Å; M325-Y345 WeakPolarHBondContact CE-O 3.29Å; M325-L346 HydrophobicContact SD-CD2 4.47Å; M325-L349 HydrophobicContact CE-CG 4.46Å; M325-L349 HydrophobicContact SD-CD1 3.84Å; M325-L349 HydrophobicContact SD-CD2 3.95Å; M325-L349 HydrophobicContact SD-CG 3.89Å; M325-F357 HydrophobicContact CB-CE2 3.5Å; M325-F357 HydrophobicContact CB-CZ 3.74Å; M325-F357 HydrophobicContact SD-CE2 4.39Å; M325-F357 HydrophobicContact SD-CZ 4.16Å
326V97.8Very high94.9Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-63.4-41.6173.9171.70000110.8L322 N323 F329 R330 F357 R360 L361L322-V326 HydrophobicContact CD2-CG2 4.26Å; L322-V326 VanDerWaalsContact O-CG2 3.23Å; L322-V326 WeakPolarHBondContact O-CG2 3.4Å; L322-V326 PolarHBondContact O-N 3.08Å; L322-V326 VanDerWaalsContact O-N 3.07Å; N323-V326 PolarHBondContact O-N 3.38Å; V326-F329 PolarHBondContact O-N 3.02Å; V326-R330 WeakPolarHBondContact O-CG 3.41Å; V326-R330 PolarHBondContact O-N 3.36Å; V326-F357 HydrophobicContact CG2-CD2 3.92Å; V326-F357 HydrophobicContact CG2-CE2 3.92Å; V326-R360 HydrophobicContact CG2-CB 4.22Å; V326-L361 HydrophobicContact CB-CD2 4.37Å; V326-L361 HydrophobicContact CG2-CD2 3.89Å
327Q96.1Very high95.3Very high57 Ų5736 Ų3627%0.26618%0.184SC..Hα-helixtrans-61.9-45.3175.2-176.9-174.813.300111.4N323 L324 M325 R330 K331N323-Q327 WeakPolarHBondContact O-CB 3.36Å; N323-Q327 PolarHBondContact O-N 3.36Å; L324-Q327 WeakPolarHBondContact O-CB 3.35Å; L324-Q327 PolarHBondContact O-N 3.41Å; M325-Q327 VanDerWaalsContact C-N 3.35Å; Q327-R330 PolarHBondContact O-N 3.04Å; Q327-K331 PolarHBondContact O-N 2.93Å
328F97.4Very high95.7Very high2 Ų231.7 Ų31.71%0.00916%0.161CC..Hα-helixtrans-59.2-48.7176.2-173.4-88.7000111.1L298 L324 M325 R330 K331 F332 D341 L342L298-F328 HydrophobicContact CD1-CE2 4.48Å; L298-F328 HydrophobicContact CD2-CD2 4.05Å; L298-F328 HydrophobicContact CD2-CE1 4.43Å; L298-F328 HydrophobicContact CD2-CE2 3.47Å; L298-F328 VanDerWaalsContact CD2-CE2 3.47Å; L298-F328 HydrophobicContact CD2-CZ 3.68Å; L298-F328 HydrophobicContact CG-CE2 3.71Å; L298-F328 HydrophobicContact CG-CZ 4.13Å; L324-F328 WeakPolarHBondContact O-CB 3.24Å; L324-F328 PolarHBondContact O-N 3.39Å; M325-F328 PolarHBondContact O-N 3.48Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 3.06Å; F328-K331 PolarHBondContact O-N 3.48Å; F328-K331 VanDerWaalsContact O-N 3.1Å; F328-F332 HydrophobicContact CD1-CB 4.39Å; F328-F332 HydrophobicContact CD1-CD2 4.12Å; F328-F332 AromaticContact CD2-CD2 3.55Å; F328-F332 HydrophobicContact CD2-CD2 3.55Å; F328-F332 AromaticContact CD2-CE2 3.85Å; F328-F332 HydrophobicContact CD2-CE2 3.85Å; F328-F332 HydrophobicContact CE1-CB 3.97Å; F328-F332 AromaticContact CE1-CD2 4Å; F328-F332 HydrophobicContact CE1-CD2 4Å; F328-F332 HydrophobicContact CE1-CG 4.34Å; F328-F332 AromaticContact CE2-CD2 3.39Å; F328-F332 HydrophobicContact CE2-CD2 3.39Å; F328-F332 AromaticContact CE2-CE2 3.71Å; F328-F332 HydrophobicContact CE2-CE2 3.71Å; F328-F332 HydrophobicContact CE2-CG 4.26Å; F328-F332 AromaticContact CG-CD2 3.91Å; F328-F332 HydrophobicContact CG-CD2 3.91Å; F328-F332 HydrophobicContact CZ-CB 4.15Å; F328-F332 AromaticContact CZ-CD2 3.63Å; F328-F332 HydrophobicContact CZ-CD2 3.63Å; F328-F332 HydrophobicContact CZ-CE2 4.35Å; F328-F332 HydrophobicContact CZ-CG 4.08Å; F328-F332 WeakPolarHBondContact O-CD2 3.39Å; F328-F332 PolarHBondContact O-N 3.47Å; F328-D341 HydrophobicContact CE1-CB 3.92Å; F328-D341 HydrophobicContact CZ-CB 3.83Å; F328-L342 HydrophobicContact CB-CD2 4.19Å; F328-L342 HydrophobicContact CD1-CD1 4.11Å; F328-L342 HydrophobicContact CD1-CD2 3.62Å; F328-L342 HydrophobicContact CD1-CG 3.74Å; F328-L342 HydrophobicContact CE1-CD2 4.31Å; F328-L342 HydrophobicContact CE1-CG 4.14Å; F328-L342 HydrophobicContact CG-CD2 4.06Å
329F98Very high96Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-60.2-40.2177.4-179-91.5000112.6M325 V326 K331 F332 G333 L342 L361 V364 V365 R386 C389 V390M325-F329 WeakPolarHBondContact O-CB 3.38Å; M325-F329 PolarHBondContact O-N 2.76Å; V326-F329 PolarHBondContact O-N 3.02Å; F329-K331 PolarHBondContact O-N 3.32Å; F329-F332 PolarHBondContact O-N 2.89Å; F329-G333 WeakPolarHBondContact O-CA 3.26Å; F329-G333 PolarHBondContact O-N 2.97Å; F329-L342 HydrophobicContact CB-CD1 4.42Å; F329-L361 HydrophobicContact CB-CD2 3.73Å; F329-L361 HydrophobicContact CD1-CB 4.42Å; F329-L361 HydrophobicContact CD1-CD2 3.74Å; F329-L361 HydrophobicContact CD1-CG 4.49Å; F329-L361 HydrophobicContact CD2-CD1 4.05Å; F329-L361 HydrophobicContact CD2-CD2 4.35Å; F329-L361 HydrophobicContact CE1-CB 4.3Å; F329-L361 HydrophobicContact CE1-CD2 4.45Å; F329-L361 HydrophobicContact CE2-CD1 4.35Å; F329-L361 HydrophobicContact CG-CD1 4.23Å; F329-L361 HydrophobicContact CG-CD2 3.68Å; F329-L361 HydrophobicContact CG-CG 4.43Å; F329-V364 HydrophobicContact CD1-CG2 3.76Å; F329-V364 HydrophobicContact CE1-CG2 3.68Å; F329-V365 HydrophobicContact CE1-CG2 4.35Å; F329-V365 HydrophobicContact CZ-CG2 4.26Å; F329-R386 HydrophobicContact CE1-CB 4.45Å; F329-R386 HydrophobicContact CZ-CB 3.92Å; F329-R386 HydrophobicContact CZ-CG 4.27Å; F329-R386 WeakPolarHBondContact CZ-O 3.25Å; F329-R386 PolarHBondContact O-NH1 3.32Å; F329-C389 HydrophobicContact CE2-CB 3.92Å; F329-V390 HydrophobicContact CE1-CG2 4.38Å; F329-V390 HydrophobicContact CE2-CG2 3.99Å; F329-V390 HydrophobicContact CZ-CG2 3.59Å
330R95.7Very high96.2Very high129 Ų12935.1 Ų35.149%0.48718%0.178SC..Hα-helixtrans-57.5-39175.6-77173.2179.9157.9-0.9111.8V326 Q327 F328 V364 R386V326-R330 WeakPolarHBondContact O-CG 3.41Å; V326-R330 PolarHBondContact O-N 3.36Å; Q327-R330 PolarHBondContact O-N 3.04Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 3.06Å; R330-V364 HydrophobicContact CG-CG1 4.44Å; R330-V364 HydrophobicContact CG-CG2 4.41Å; R330-R386 PolarHBondContact O-NH1 2.96Å; R330-R386 VanDerWaalsContact O-NH1 3.11Å; R330-R386 PolarHBondContact O-NH2 3.39Å
331K94.4Very high96.4Very high67 Ų6731.7 Ų31.729%0.29116%0.163SC..Hα-helixtrans-81.5-41-179.3-72-178.8172.4-73.70114.1D286 Y297 Q327 F328 F329D286-K331 WeakPolarHBondContact OD1-CE 3.33Å; D286-K331 IonicContact OD1-NZ 2.9Å; D286-K331 PolarHBondContact OD1-NZ 3.21Å; Y297-K331 HydrophobicContact CD1-CD 4.25Å; Y297-K331 HydrophobicContact CE1-CD 3.43Å; Y297-K331 VanDerWaalsContact CE1-CD 3.43Å; Y297-K331 HydrophobicContact CE2-CD 4.31Å; Y297-K331 VanDerWaalsContact CZ-CD 3.47Å; Y297-K331 WeakPolarHBondContact OH-CD 3.33Å; Y297-K331 WeakPolarHBondContact OH-CE 3.05Å; Y297-K331 PolarHBondContact OH-NZ 3.38Å; Q327-K331 PolarHBondContact O-N 2.93Å; F328-K331 PolarHBondContact O-N 3.48Å; F328-K331 VanDerWaalsContact O-N 3.1Å; F329-K331 PolarHBondContact O-N 3.32Å
332F96.4Very high96.5Very high5 Ų531.5 Ų31.52%0.02216%0.161CC..Hα-helixtrans-117.7-1.1-168-55.3-70000114.4S292 L293 R294 Y297 F328 F329 D334 K335 C338S292-F332 WeakPolarHBondContact O-CE1 3.44Å; L293-F332 WeakPolarHBondContact O-CZ 3.4Å; R294-F332 HydrophobicContact CB-CE1 4.48Å; R294-F332 HydrophobicContact CB-CZ 4.41Å; R294-F332 HydrophobicContact CG-CD1 3.66Å; R294-F332 HydrophobicContact CG-CD2 4.45Å; R294-F332 HydrophobicContact CG-CE1 3.53Å; R294-F332 HydrophobicContact CG-CE2 4.34Å; R294-F332 HydrophobicContact CG-CG 4.13Å; R294-F332 HydrophobicContact CG-CZ 3.9Å; Y297-F332 AromaticContact CD2-CE2 3.73Å; Y297-F332 HydrophobicContact CD2-CE2 3.73Å; Y297-F332 AromaticContact CD2-CZ 3.87Å; Y297-F332 HydrophobicContact CD2-CZ 3.87Å; Y297-F332 HydrophobicContact CE2-CE2 4.13Å; Y297-F332 AromaticContact CE2-CZ 3.98Å; Y297-F332 HydrophobicContact CE2-CZ 3.98Å; Y297-F332 HydrophobicContact CG-CE2 4Å; F328-F332 HydrophobicContact CD1-CB 4.39Å; F328-F332 HydrophobicContact CD1-CD2 4.12Å; F328-F332 AromaticContact CD2-CD2 3.55Å; F328-F332 HydrophobicContact CD2-CD2 3.55Å; F328-F332 AromaticContact CD2-CE2 3.85Å; F328-F332 HydrophobicContact CD2-CE2 3.85Å; F328-F332 HydrophobicContact CE1-CB 3.97Å; F328-F332 AromaticContact CE1-CD2 4Å; F328-F332 HydrophobicContact CE1-CD2 4Å; F328-F332 HydrophobicContact CE1-CG 4.34Å; F328-F332 AromaticContact CE2-CD2 3.39Å; F328-F332 HydrophobicContact CE2-CD2 3.39Å; F328-F332 AromaticContact CE2-CE2 3.71Å; F328-F332 HydrophobicContact CE2-CE2 3.71Å; F328-F332 HydrophobicContact CE2-CG 4.26Å; F328-F332 AromaticContact CG-CD2 3.91Å; F328-F332 HydrophobicContact CG-CD2 3.91Å; F328-F332 HydrophobicContact CZ-CB 4.15Å; F328-F332 AromaticContact CZ-CD2 3.63Å; F328-F332 HydrophobicContact CZ-CD2 3.63Å; F328-F332 HydrophobicContact CZ-CE2 4.35Å; F328-F332 HydrophobicContact CZ-CG 4.08Å; F328-F332 WeakPolarHBondContact O-CD2 3.39Å; F328-F332 PolarHBondContact O-N 3.47Å; F329-F332 PolarHBondContact O-N 2.89Å; F332-D334 PolarHBondContact O-N 3.09Å; F332-D334 VanDerWaalsContact O-N 3.16Å; F332-K335 VanDerWaalsContact O-CB 3.24Å; F332-K335 WeakPolarHBondContact O-CB 3.45Å; F332-K335 WeakPolarHBondContact O-CG 3.16Å; F332-K335 PolarHBondContact O-N 2.89Å; F332-C338 WeakPolarHBondContact O-CB 3.42Å
333G96.5Very high96.5Very high0 Ų033.9 Ų33.90%017%0.171CC..THydrogen-bonded Turntrans-62.9-21.2-176.500000114.6F329 K335 Q385 R386F329-G333 WeakPolarHBondContact O-CA 3.26Å; F329-G333 PolarHBondContact O-N 2.97Å; G333-K335 PolarHBondContact O-N 3.06Å; G333-Q385 CarbonylContact O-C 3.58Å; G333-R386 VanDerWaalsContact O-CA 3.31Å; G333-R386 WeakPolarHBondContact O-CA 3.44Å; G333-R386 WeakPolarHBondContact O-CG 3.49Å; G333-R386 PolarHBondContact O-N 2.88Å
334D95.6Very high96.5Very high23 Ų2335 Ų3512%0.12318%0.176CC..THydrogen-bonded Turntrans-79.66.6172.172.8-46000112.9F332 K382 Q385 R386F332-D334 PolarHBondContact O-N 3.09Å; F332-D334 VanDerWaalsContact O-N 3.16Å; D334-K382 HydrophobicContact CB-CB 3.74Å; D334-K382 HydrophobicContact CB-CG 4.03Å; D334-Q385 VanDerWaalsContact C-CG 3.42Å; D334-Q385 WeakPolarHBondContact O-CG 3.3Å; D334-R386 HydrophobicContact CB-CG 4.3Å; D334-R386 IonicContact OD1-NH2 3.2Å
335K96Very high96.4Very high47 Ų4734.7 Ų34.720%0.20417%0.174CC..SBendtrans-112.4136.7179.9-50.5-54.1172.9-1570111R291 F332 G333 C337 C338R291-K335 VanDerWaalsContact CZ-CE 3.42Å; F332-K335 VanDerWaalsContact O-CB 3.24Å; F332-K335 WeakPolarHBondContact O-CB 3.45Å; F332-K335 WeakPolarHBondContact O-CG 3.16Å; F332-K335 PolarHBondContact O-N 2.89Å; G333-K335 PolarHBondContact O-N 3.06Å; K335-C337 PolarHBondContact O-N 3.42Å; K335-C338 WeakPolarHBondContact O-CB 3.19Å; K335-C338 PolarHBondContact O-N 3.18Å
336P95.7Very high96.3Very high90 Ų9035.4 Ų35.458%0.58418%0.178SC*.THydrogen-bonded Turntrans-56.4-26177.5-26.633.3000114.9C338 I339P336-C338 VanDerWaalsContact C-N 3.31Å; P336-C338 PolarHBondContact O-N 2.92Å; P336-I339 WeakPolarHBondContact O-CG2 3.29Å
337C95.9Very high96.1Very high34 Ų3440.3 Ų40.323%0.2320%0.201CC..THydrogen-bonded Turntrans-76.8-11.3179.763.60000114.4R294 K335 I339 T340 D341R294-C337 PolarHBondContact NH1-SG 3.31Å; K335-C337 PolarHBondContact O-N 3.42Å; C337-I339 VanDerWaalsContact C-N 3.26Å; C337-I339 PolarHBondContact O-N 3.03Å; C337-T340 PolarHBondContact O-N 3.21Å; C337-T340 VanDerWaalsContact O-N 3.12Å; C337-T340 PolarHBondContact O-OG1 2.99Å; C337-D341 WeakPolarHBondContact O-CB 3.39Å; C337-D341 PolarHBondContact O-N 3.37Å
338C97.7Very high96.1Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-56.9-41.4-176.5-1740000112.3F332 K335 P336 D341 L342 C389F332-C338 WeakPolarHBondContact O-CB 3.42Å; K335-C338 WeakPolarHBondContact O-CB 3.19Å; K335-C338 PolarHBondContact O-N 3.18Å; P336-C338 VanDerWaalsContact C-N 3.31Å; P336-C338 PolarHBondContact O-N 2.92Å; C338-D341 PolarHBondContact O-N 3.35Å; C338-L342 WeakPolarHBondContact O-CB 3.34Å; C338-L342 WeakPolarHBondContact O-CG 3.4Å; C338-L342 PolarHBondContact O-N 3.44Å; C338-C389 VanDerWaalsContact SG-SG 3.7Å
339I96.3Very high96Very high6 Ų638.2 Ų38.23%0.03119%0.191CC..Hα-helixtrans-62.8-46.8176.5177.861.2000111.8P336 C337 D341 L342 K343 Q392 L393P336-I339 WeakPolarHBondContact O-CG2 3.29Å; C337-I339 VanDerWaalsContact C-N 3.26Å; C337-I339 PolarHBondContact O-N 3.03Å; I339-D341 VanDerWaalsContact C-N 3.27Å; I339-D341 PolarHBondContact O-N 2.86Å; I339-L342 PolarHBondContact O-N 3.48Å; I339-K343 WeakPolarHBondContact O-CB 3.26Å; I339-K343 PolarHBondContact O-N 3.3Å; I339-Q392 HydrophobicContact CB-CB 4.44Å; I339-Q392 HydrophobicContact CD1-CB 3.78Å; I339-Q392 HydrophobicContact CG1-CB 3.87Å; I339-L393 HydrophobicContact CD1-CD2 3.55Å; I339-L393 HydrophobicContact CD1-CG 3.78Å
340T95.9Very high95.7Very high86 Ų8640.4 Ų40.453%0.52821%0.207SC..Hα-helixtrans-66-35.2-177.751.60000111.6C337C337-T340 PolarHBondContact O-N 3.21Å; C337-T340 VanDerWaalsContact O-N 3.12Å; C337-T340 PolarHBondContact O-OG1 2.99Å
341D97.4Very high95.5Very high20 Ų2039.1 Ų39.111%0.10722%0.215CC..Hα-helixtrans-73.4-39.5180-61.9-15.5000112R294 L298 F328 C337 C338 I339 I344 Y345R294-D341 WeakPolarHBondContact CD-OD2 3.4Å; R294-D341 IonicContact CZ-OD2 3.38Å; R294-D341 IonicContact NE-OD2 2.72Å; R294-D341 VanDerWaalsContact NH1-CG 3.32Å; R294-D341 IonicContact NH1-OD1 3.41Å; R294-D341 PolarHBondContact NH1-OD1 2.91Å; R294-D341 VanDerWaalsContact NH1-OD1 3.14Å; R294-D341 IonicContact NH1-OD2 2.7Å; R294-D341 PolarHBondContact NH1-OD2 2.9Å; L298-D341 HydrophobicContact CD1-CB 4.14Å; L298-D341 HydrophobicContact CD2-CB 3.97Å; F328-D341 HydrophobicContact CE1-CB 3.92Å; F328-D341 HydrophobicContact CZ-CB 3.83Å; C337-D341 WeakPolarHBondContact O-CB 3.39Å; C337-D341 PolarHBondContact O-N 3.37Å; C338-D341 PolarHBondContact O-N 3.35Å; I339-D341 VanDerWaalsContact C-N 3.27Å; I339-D341 PolarHBondContact O-N 2.86Å; D341-I344 WeakPolarHBondContact O-CG1 3.33Å; D341-Y345 WeakPolarHBondContact O-CD2 3.2Å
342L97.6Very high95.4Very high0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-82-31.9179.3-72.1179.9000113.4L301 M325 F328 F329 C338 I339 I344 Y345 L346 L393L301-L342 HydrophobicContact CD1-CD2 4.34Å; M325-L342 HydrophobicContact CB-CD2 4.11Å; M325-L342 HydrophobicContact CG-CD2 4.01Å; F328-L342 HydrophobicContact CB-CD2 4.19Å; F328-L342 HydrophobicContact CD1-CD1 4.11Å; F328-L342 HydrophobicContact CD1-CD2 3.62Å; F328-L342 HydrophobicContact CD1-CG 3.74Å; F328-L342 HydrophobicContact CE1-CD2 4.31Å; F328-L342 HydrophobicContact CE1-CG 4.14Å; F328-L342 HydrophobicContact CG-CD2 4.06Å; F329-L342 HydrophobicContact CB-CD1 4.42Å; C338-L342 WeakPolarHBondContact O-CB 3.34Å; C338-L342 WeakPolarHBondContact O-CG 3.4Å; C338-L342 PolarHBondContact O-N 3.44Å; I339-L342 PolarHBondContact O-N 3.48Å; L342-I344 PolarHBondContact O-N 3.15Å; L342-Y345 PolarHBondContact O-N 2.97Å; L342-L346 PolarHBondContact O-N 3.16Å; L342-L393 HydrophobicContact CB-CD2 4.11Å; L342-L393 HydrophobicContact CD1-CD1 4.1Å
343K95.6Very high95.4Very high59 Ų5945 Ų4526%0.25725%0.248SC..Hα-helixtrans-55.4-36.9-175.2-177.8179.1-179.8-169.40112.7I339 Y345 N636I339-K343 WeakPolarHBondContact O-CB 3.26Å; I339-K343 PolarHBondContact O-N 3.3Å; K343-Y345 PolarHBondContact O-N 3.23Å; K343-N636 PolarHBondContact NZ-O 3.44Å
344I94.8Very high95.3Very high100 Ų10046.7 Ų46.751%0.51326%0.256SS..THydrogen-bonded Turntrans-70.7-14.8-178.864.6176.7000113.7D341 L342 H347D341-I344 WeakPolarHBondContact O-CG1 3.33Å; L342-I344 PolarHBondContact O-N 3.15Å; I344-H347 PolarHBondContact O-CE1 2.85Å; I344-H347 PolarHBondContact O-ND1 3.49Å; I344-H347 VanDerWaalsContact O-ND1 3.16Å
345Y96.3Very high95.3Very high3 Ų349.4 Ų49.41%0.01227%0.274CS..THydrogen-bonded Turntrans-109.6-3.1-177-64.1-59.6000113.5L298 L301 E302 H305 M325 D341 L342 K343 H347 L348L298-Y345 HydrophobicContact CD2-CE2 4.11Å; L301-Y345 HydrophobicContact CB-CD1 4.23Å; L301-Y345 HydrophobicContact CB-CD2 4.02Å; L301-Y345 HydrophobicContact CB-CE1 4.34Å; L301-Y345 HydrophobicContact CB-CE2 4.14Å; L301-Y345 HydrophobicContact CB-CG 4.08Å; L301-Y345 HydrophobicContact CD1-CD2 3.91Å; L301-Y345 HydrophobicContact CD1-CE2 4.46Å; L301-Y345 HydrophobicContact CD1-CG 4.38Å; E302-Y345 HydrophobicContact CB-CE1 4.36Å; E302-Y345 VanDerWaalsContact OE2-CE1 3.22Å; E302-Y345 WeakPolarHBondContact OE2-CE1 3.43Å; E302-Y345 PolarHBondContact OE2-OH 3.44Å; H305-Y345 HydrophobicContact CB-CD1 4.48Å; H305-Y345 HydrophobicContact CB-CE1 4.48Å; M325-Y345 VanDerWaalsContact CE-CB 3.41Å; M325-Y345 WeakPolarHBondContact CE-O 3.29Å; D341-Y345 WeakPolarHBondContact O-CD2 3.2Å; L342-Y345 PolarHBondContact O-N 2.97Å; K343-Y345 PolarHBondContact O-N 3.23Å; Y345-H347 PolarHBondContact O-N 3.47Å; Y345-L348 HydrophobicContact CD1-CD1 3.99Å; Y345-L348 HydrophobicContact CG-CD1 4.38Å; Y345-L348 VanDerWaalsContact O-CB 3.26Å; Y345-L348 WeakPolarHBondContact O-CB 3.3Å; Y345-L348 VanDerWaalsContact O-CG 3.3Å; Y345-L348 WeakPolarHBondContact O-CG 3.02Å; Y345-L348 PolarHBondContact O-N 2.86Å
346L95.9Very high95.4Very high15 Ų1552 Ų528%0.07929%0.287CS..G310 helixtrans-58.7-23.7-175-64.8178.6000113.7M325 L342 L348 L349 F357 L393 A396 L397M325-L346 HydrophobicContact SD-CD2 4.47Å; L342-L346 PolarHBondContact O-N 3.16Å; L346-L348 PolarHBondContact O-N 3.42Å; L346-L349 HydrophobicContact CD2-CD1 4.47Å; L346-L349 PolarHBondContact O-N 3.25Å; L346-L349 VanDerWaalsContact O-N 3.16Å; L346-F357 HydrophobicContact CD2-CE1 4.27Å; L346-L393 HydrophobicContact CD1-CD2 4.26Å; L346-L393 HydrophobicContact CD2-CD2 4.05Å; L346-A396 HydrophobicContact CD1-CB 3.75Å; L346-L397 HydrophobicContact CB-CD2 4.02Å; L346-L397 HydrophobicContact CD1-CD2 4.03Å; L346-L397 HydrophobicContact CD1-CG 4.24Å; L346-L397 HydrophobicContact CD2-CD2 4.13Å; L346-L397 HydrophobicContact CG-CD2 4.27Å
347H93.9Very high95.5Very high104 Ų10447.7 Ų47.748%0.48126%0.259SS..G310 helixtrans-65.7-12.6173.965.1-76.7000113.9H305 I344 Y345 L349H305-H347 AromaticContact CE1-NE2 3.26Å; H305-H347 PolarHBondContact CE1-NE2 3.48Å; H305-H347 VanDerWaalsContact CE1-NE2 3.26Å; H305-H347 AromaticContact CG-NE2 3.66Å; H305-H347 AromaticContact ND1-NE2 3.15Å; H305-H347 PolarHBondContact ND1-NE2 3.35Å; H305-H347 VanDerWaalsContact ND1-NE2 3.15Å; H305-H347 AromaticContact NE2-NE2 3.74Å; I344-H347 PolarHBondContact O-CE1 2.85Å; I344-H347 PolarHBondContact O-ND1 3.49Å; I344-H347 VanDerWaalsContact O-ND1 3.16Å; Y345-H347 PolarHBondContact O-N 3.47Å; H347-L349 VanDerWaalsContact C-N 3.27Å
348L94.6Very high95.5Very high5 Ų546.7 Ų46.73%0.02625%0.251CS..G310 helixtrans-77.2-15.2175.1-59.7172.4000112.7M304 H305 R308 P321 Y345 L346M304-L348 HydrophobicContact CE-CB 4.26Å; M304-L348 HydrophobicContact CE-CD1 3.37Å; M304-L348 HydrophobicContact CE-CG 4.27Å; H305-L348 HydrophobicContact CB-CD1 4.07Å; H305-L348 HydrophobicContact CB-CD2 4.07Å; R308-L348 PolarHBondContact NH1-O 3.01Å; P321-L348 HydrophobicContact CB-CB 3.96Å; P321-L348 HydrophobicContact CG-CB 4.31Å; Y345-L348 HydrophobicContact CD1-CD1 3.99Å; Y345-L348 HydrophobicContact CG-CD1 4.38Å; Y345-L348 VanDerWaalsContact O-CB 3.26Å; Y345-L348 WeakPolarHBondContact O-CB 3.3Å; Y345-L348 VanDerWaalsContact O-CG 3.3Å; Y345-L348 WeakPolarHBondContact O-CG 3.02Å; Y345-L348 PolarHBondContact O-N 2.86Å; L346-L348 PolarHBondContact O-N 3.42Å
349L95.2Very high95.5Very high9 Ų950.8 Ų50.85%0.04727%0.273CS..SBendtrans-88142.1173.1-56.5179000109.9P321 L322 M325 L346 H347 Q353 F357P321-L349 HydrophobicContact CB-CD2 4.27Å; L322-L349 HydrophobicContact CB-CD2 3.83Å; L322-L349 HydrophobicContact CG-CD2 4.42Å; M325-L349 HydrophobicContact CE-CG 4.46Å; M325-L349 HydrophobicContact SD-CD1 3.84Å; M325-L349 HydrophobicContact SD-CD2 3.95Å; M325-L349 HydrophobicContact SD-CG 3.89Å; L346-L349 HydrophobicContact CD2-CD1 4.47Å; L346-L349 PolarHBondContact O-N 3.25Å; L346-L349 VanDerWaalsContact O-N 3.16Å; H347-L349 VanDerWaalsContact C-N 3.27Å; L349-Q353 HydrophobicContact CB-CB 4.47Å; L349-F357 HydrophobicContact CD1-CB 4.09Å; L349-F357 HydrophobicContact CD1-CD1 3.65Å; L349-F357 HydrophobicContact CD1-CD2 4.36Å; L349-F357 HydrophobicContact CD1-CE1 4.1Å; L349-F357 HydrophobicContact CD1-CG 3.78Å
350S92.4Very high95.5Very high46 Ų4653.4 Ų53.432%0.32228%0.282SS..  trans-76.7155.3169.2700000111D352 Q353 H354S350-D352 PolarHBondContact O-N 2.92Å; S350-D352 VanDerWaalsContact O-N 3.16Å; S350-Q353 WeakPolarHBondContact O-CA 3.4Å; S350-Q353 WeakPolarHBondContact O-CB 3.44Å; S350-Q353 PolarHBondContact O-N 3.11Å; S350-Q353 WeakPolarHBondContact OG-CG 3.26Å; S350-Q353 PolarHBondContact OG-OE1 3.12Å; S350-H354 PolarHBondContact O-CD2 3.36Å; S350-H354 PolarHBondContact O-N 2.87Å
351P91.2Very high95.6Very high102 Ų10249.3 Ų49.366%0.66226%0.257SS*.THydrogen-bonded Turntrans-53.1-37.3176.8-28.636.3000113.8Q353 H354P351-Q353 PolarHBondContact O-N 3.39Å; P351-H354 WeakPolarHBondContact O-CB 3.45Å; P351-H354 PolarHBondContact O-N 2.83Å
352D92.5Very high95.5Very high148 Ų14850.8 Ų50.879%0.79127%0.269SS*.THydrogen-bonded Turntrans-66.4-24.1178-57.1-43.7000112.8S350S350-D352 PolarHBondContact O-N 2.92Å; S350-D352 VanDerWaalsContact O-N 3.16Å
353Q95.4Very high95.3Very high47 Ų4758.1 Ų58.122%0.2230%0.303CS..Hα-helixtrans-84.6-13.6178.9-74.7175.5-29.300113.4L322 L349 S350 P351 V355 Q356 F357L322-Q353 HydrophobicContact CD1-CB 4.04Å; L322-Q353 HydrophobicContact CD1-CG 4.13Å; L349-Q353 HydrophobicContact CB-CB 4.47Å; S350-Q353 WeakPolarHBondContact O-CA 3.4Å; S350-Q353 WeakPolarHBondContact O-CB 3.44Å; S350-Q353 PolarHBondContact O-N 3.11Å; S350-Q353 WeakPolarHBondContact OG-CG 3.26Å; S350-Q353 PolarHBondContact OG-OE1 3.12Å; P351-Q353 PolarHBondContact O-N 3.39Å; Q353-V355 PolarHBondContact O-N 3.27Å; Q353-Q356 PolarHBondContact O-N 2.92Å; Q353-F357 VanDerWaalsContact O-CB 3.29Å; Q353-F357 WeakPolarHBondContact O-CB 3.27Å; Q353-F357 PolarHBondContact O-N 3Å
354H95.8Very high95.1Very high36 Ų3657.3 Ų57.317%0.16730%0.303CS..Hα-helixtrans-59.7-49.6-173.5-69.5-172.3000112.3S350 P351 F357 I358 L397 L399S350-H354 PolarHBondContact O-CD2 3.36Å; S350-H354 PolarHBondContact O-N 2.87Å; P351-H354 WeakPolarHBondContact O-CB 3.45Å; P351-H354 PolarHBondContact O-N 2.83Å; H354-F357 PolarHBondContact O-N 3.43Å; H354-I358 WeakPolarHBondContact O-CG1 3.44Å; H354-I358 PolarHBondContact O-N 3.43Å; H354-I358 VanDerWaalsContact O-N 3.12Å; H354-L397 HydrophobicContact CB-CB 4.4Å; H354-L397 HydrophobicContact CB-CD1 4.26Å; H354-L397 PolarHBondContact ND1-O 2.75Å; H354-L399 HydrophobicContact CB-CD2 4.32Å
355V95.8Very high95.1Very high80 Ų8053 Ų5349%0.48528%0.282SS..Hα-helixtrans-66.4-42.5178.8177.20000110.7Q353 F357 I358 N359 L399Q353-V355 PolarHBondContact O-N 3.27Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3.2Å; V355-I358 PolarHBondContact O-N 3.03Å; V355-N359 WeakPolarHBondContact O-CB 3.38Å; V355-N359 PolarHBondContact O-N 2.95Å; V355-N359 PolarHBondContact O-ND2 3.29Å; V355-L399 HydrophobicContact CG2-CD2 4.07Å
356Q96.5Very high94.9Very high102 Ų10256.6 Ų56.648%0.47731%0.305SS..Hα-helixtrans-59.7-43177.2-174.5-172.921.200111.8L322 Q353 R360L322-Q356 HydrophobicContact CD1-CG 4.39Å; Q353-Q356 PolarHBondContact O-N 2.92Å; Q356-R360 WeakPolarHBondContact O-CG 3.46Å; Q356-R360 PolarHBondContact O-N 3.06Å; Q356-R360 VanDerWaalsContact O-N 3.1Å
357F97.9Very high94.6Very high0 Ų058.8 Ų58.80%032%0.316CS..Hα-helixtrans-62.6-51.3179.2174.3-119.2000110.9L322 M325 V326 L346 L349 Q353 H354 V355 N359 R360 L361 L393 L397L322-F357 HydrophobicContact CD1-CB 4.26Å; L322-F357 HydrophobicContact CG-CB 4.41Å; L322-F357 HydrophobicContact CG-CD2 4.23Å; M325-F357 HydrophobicContact CB-CE2 3.5Å; M325-F357 HydrophobicContact CB-CZ 3.74Å; M325-F357 HydrophobicContact SD-CE2 4.39Å; M325-F357 HydrophobicContact SD-CZ 4.16Å; V326-F357 HydrophobicContact CG2-CD2 3.92Å; V326-F357 HydrophobicContact CG2-CE2 3.92Å; L346-F357 HydrophobicContact CD2-CE1 4.27Å; L349-F357 HydrophobicContact CD1-CB 4.09Å; L349-F357 HydrophobicContact CD1-CD1 3.65Å; L349-F357 HydrophobicContact CD1-CD2 4.36Å; L349-F357 HydrophobicContact CD1-CE1 4.1Å; L349-F357 HydrophobicContact CD1-CG 3.78Å; Q353-F357 VanDerWaalsContact O-CB 3.29Å; Q353-F357 WeakPolarHBondContact O-CB 3.27Å; Q353-F357 PolarHBondContact O-N 3Å; H354-F357 PolarHBondContact O-N 3.43Å; V355-F357 VanDerWaalsContact C-N 3.31Å; V355-F357 PolarHBondContact O-N 3.2Å; F357-N359 PolarHBondContact O-N 3.38Å; F357-R360 PolarHBondContact O-N 3.16Å; F357-L361 HydrophobicContact CD1-CD1 4.43Å; F357-L361 HydrophobicContact CD2-CD2 4.44Å; F357-L361 HydrophobicContact CD2-CG 4.36Å; F357-L361 HydrophobicContact CE1-CD1 3.82Å; F357-L361 HydrophobicContact CE1-CG 4.49Å; F357-L361 HydrophobicContact CE2-CD1 4.06Å; F357-L361 HydrophobicContact CE2-CD2 3.87Å; F357-L361 HydrophobicContact CE2-CG 4.03Å; F357-L361 HydrophobicContact CZ-CD1 3.62Å; F357-L361 HydrophobicContact CZ-CD2 4.23Å; F357-L361 HydrophobicContact CZ-CG 4.12Å; F357-L361 WeakPolarHBondContact O-CG 3.43Å; F357-L361 PolarHBondContact O-N 3.42Å; F357-L393 HydrophobicContact CE1-CD1 4.37Å; F357-L397 HydrophobicContact CD1-CD1 3.92Å; F357-L397 HydrophobicContact CE1-CD1 4.47Å
358I97.9Very high94.3Very high12 Ų1254.9 Ų54.96%0.06231%0.305CS..Hα-helixtrans-59.6-45.3178.3-68.5-55.4000111.6H354 V355 R360 L361 S362 V390 L393 S394 L397 L399H354-I358 WeakPolarHBondContact O-CG1 3.44Å; H354-I358 PolarHBondContact O-N 3.43Å; H354-I358 VanDerWaalsContact O-N 3.12Å; V355-I358 PolarHBondContact O-N 3.03Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 2.89Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 PolarHBondContact O-N 3.35Å; I358-S362 PolarHBondContact O-N 2.71Å; I358-S362 PolarHBondContact O-OG 3.35Å; I358-S362 VanDerWaalsContact O-OG 3.13Å; I358-V390 HydrophobicContact CD1-CG1 4.47Å; I358-V390 HydrophobicContact CG2-CG1 4Å; I358-L393 HydrophobicContact CD1-CB 3.81Å; I358-S394 WeakPolarHBondContact CD1-OG 3.28Å; I358-S394 VanDerWaalsContact CG2-OG 3.3Å; I358-S394 WeakPolarHBondContact CG2-OG 3.48Å; I358-L397 HydrophobicContact CD1-CD1 3.95Å; I358-L397 HydrophobicContact CG1-CD1 3.9Å; I358-L399 HydrophobicContact CB-CD1 4.29Å; I358-L399 HydrophobicContact CG1-CD1 3.74Å
359N96.6Very high93.8Very high87 Ų8763.6 Ų63.647%0.46535%0.345SS..Hα-helixtrans-57.6-43.8177.5-70.7-11.6000112V355 F357 L361 S362 E363V355-N359 WeakPolarHBondContact O-CB 3.38Å; V355-N359 PolarHBondContact O-N 2.95Å; V355-N359 PolarHBondContact O-ND2 3.29Å; F357-N359 PolarHBondContact O-N 3.38Å; N359-L361 VanDerWaalsContact C-N 3.3Å; N359-L361 PolarHBondContact O-N 2.83Å; N359-S362 PolarHBondContact O-N 3.02Å; N359-E363 WeakPolarHBondContact O-CG 3.49Å; N359-E363 PolarHBondContact O-N 3.46Å
360R97.4Very high93.2Very high61 Ų6170.5 Ų70.523%0.2338%0.377CS..Hα-helixtrans-66.2-29.6176.4-75.6-175.665.6-178.5-2.7113.5N323 V326 Q356 F357 I358N323-R360 PolarHBondContact OD1-NH1 3.01Å; N323-R360 PolarHBondContact OD1-NH2 2.7Å; V326-R360 HydrophobicContact CG2-CB 4.22Å; Q356-R360 WeakPolarHBondContact O-CG 3.46Å; Q356-R360 PolarHBondContact O-N 3.06Å; Q356-R360 VanDerWaalsContact O-N 3.1Å; F357-R360 PolarHBondContact O-N 3.16Å; I358-R360 VanDerWaalsContact C-N 3.31Å; I358-R360 PolarHBondContact O-N 2.89Å
361L97.5Very high92.4Very high0 Ų070 Ų700%038%0.38CS..Hα-helixtrans-72.7-43.9172.7-61.1-167.9000110.8V326 F329 F357 I358 N359 E363 V364 V365 V390 L393V326-L361 HydrophobicContact CB-CD2 4.37Å; V326-L361 HydrophobicContact CG2-CD2 3.89Å; F329-L361 HydrophobicContact CB-CD2 3.73Å; F329-L361 HydrophobicContact CD1-CB 4.42Å; F329-L361 HydrophobicContact CD1-CD2 3.74Å; F329-L361 HydrophobicContact CD1-CG 4.49Å; F329-L361 HydrophobicContact CD2-CD1 4.05Å; F329-L361 HydrophobicContact CD2-CD2 4.35Å; F329-L361 HydrophobicContact CE1-CB 4.3Å; F329-L361 HydrophobicContact CE1-CD2 4.45Å; F329-L361 HydrophobicContact CE2-CD1 4.35Å; F329-L361 HydrophobicContact CG-CD1 4.23Å; F329-L361 HydrophobicContact CG-CD2 3.68Å; F329-L361 HydrophobicContact CG-CG 4.43Å; F357-L361 HydrophobicContact CD1-CD1 4.43Å; F357-L361 HydrophobicContact CD2-CD2 4.44Å; F357-L361 HydrophobicContact CD2-CG 4.36Å; F357-L361 HydrophobicContact CE1-CD1 3.82Å; F357-L361 HydrophobicContact CE1-CG 4.49Å; F357-L361 HydrophobicContact CE2-CD1 4.06Å; F357-L361 HydrophobicContact CE2-CD2 3.87Å; F357-L361 HydrophobicContact CE2-CG 4.03Å; F357-L361 HydrophobicContact CZ-CD1 3.62Å; F357-L361 HydrophobicContact CZ-CD2 4.23Å; F357-L361 HydrophobicContact CZ-CG 4.12Å; F357-L361 WeakPolarHBondContact O-CG 3.43Å; F357-L361 PolarHBondContact O-N 3.42Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 PolarHBondContact O-N 3.35Å; N359-L361 VanDerWaalsContact C-N 3.3Å; N359-L361 PolarHBondContact O-N 2.83Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 2.74Å; L361-V364 WeakPolarHBondContact O-CG2 3.39Å; L361-V364 PolarHBondContact O-N 3.01Å; L361-V364 VanDerWaalsContact O-N 3.11Å; L361-V365 WeakPolarHBondContact O-CG2 3.47Å; L361-V365 PolarHBondContact O-N 3.48Å; L361-V390 HydrophobicContact CB-CG1 4.5Å; L361-V390 HydrophobicContact CB-CG2 3.7Å; L361-V390 HydrophobicContact CD1-CG2 4.44Å; L361-L393 HydrophobicContact CD1-CD1 3.48Å; L361-L393 VanDerWaalsContact CD1-CD1 3.48Å
362S94.8Very high91.3Very high51 Ų5175.1 Ų75.136%0.35740%0.395SS..Hα-helixtrans-58.9-40.9177.6-58.90000112.3I358 N359 V364 V365I358-S362 PolarHBondContact O-N 2.71Å; I358-S362 PolarHBondContact O-OG 3.35Å; I358-S362 VanDerWaalsContact O-OG 3.13Å; N359-S362 PolarHBondContact O-N 3.02Å; S362-V364 PolarHBondContact O-N 3.23Å; S362-V364 VanDerWaalsContact O-N 3.16Å; S362-V365 PolarHBondContact O-N 3.35Å; S362-V365 VanDerWaalsContact O-N 3.1Å
363E93.2Very high90.1Very high154 Ų15474.5 Ų74.572%0.7239%0.392SS*.THydrogen-bonded Turntrans-58.6-26.1176.4-75.9170.6-172.500114.1N359 L361N359-E363 WeakPolarHBondContact O-CG 3.49Å; N359-E363 PolarHBondContact O-N 3.46Å; L361-E363 VanDerWaalsContact C-N 3.31Å; L361-E363 PolarHBondContact O-N 2.74Å
364V91.9Very high89.4Confident41 Ų4174.4 Ų74.425%0.24840%0.403CS..THydrogen-bonded Turntrans-97.9-1.2-178.9-57.10000112.9F329 R330 L361 S362 P366F329-V364 HydrophobicContact CD1-CG2 3.76Å; F329-V364 HydrophobicContact CE1-CG2 3.68Å; R330-V364 HydrophobicContact CG-CG1 4.44Å; R330-V364 HydrophobicContact CG-CG2 4.41Å; L361-V364 WeakPolarHBondContact O-CG2 3.39Å; L361-V364 PolarHBondContact O-N 3.01Å; L361-V364 VanDerWaalsContact O-N 3.11Å; S362-V364 PolarHBondContact O-N 3.23Å; S362-V364 VanDerWaalsContact O-N 3.16Å; V364-P366 WeakPolarHBondContact O-CD 3.34Å
365V94.1Very high89.1Confident11 Ų1174 Ų747%0.06740%0.401CS..SBendtrans-83.1120.9173.3-175.50000108.5F329 L361 S362 L367 R386 H387 V390F329-V365 HydrophobicContact CE1-CG2 4.35Å; F329-V365 HydrophobicContact CZ-CG2 4.26Å; L361-V365 WeakPolarHBondContact O-CG2 3.47Å; L361-V365 PolarHBondContact O-N 3.48Å; S362-V365 PolarHBondContact O-N 3.35Å; S362-V365 VanDerWaalsContact O-N 3.1Å; V365-L367 HydrophobicContact CB-CG 4.47Å; V365-L367 HydrophobicContact CG1-CD2 3.82Å; V365-L367 HydrophobicContact CG1-CG 3.91Å; V365-L367 PolarHBondContact O-N 2.95Å; V365-R386 HydrophobicContact CG1-CB 4.22Å; V365-R386 HydrophobicContact CG2-CB 4.17Å; V365-H387 HydrophobicContact CG1-CB 3.85Å; V365-V390 HydrophobicContact CG2-CG2 3.88Å
366P91.4Very high88.9Confident77 Ų7771.2 Ų71.250%0.539%0.386SS..  trans-76.395.1176.330-30.7000109.5V364 A383V364-P366 WeakPolarHBondContact O-CD 3.34Å; P366-A383 HydrophobicContact CG-CB 3.82Å; P366-A383 WeakPolarHBondContact O-CB 3.47Å
367L91.5Very high88.8Confident61 Ų6168.6 Ų68.632%0.31937%0.373SS..BIsolated β-bridgetrans-100.7148.4170.6-59.3176.6000109.5V365 A376 P378 H387V365-L367 HydrophobicContact CB-CG 4.47Å; V365-L367 HydrophobicContact CG1-CD2 3.82Å; V365-L367 HydrophobicContact CG1-CG 3.91Å; V365-L367 PolarHBondContact O-N 2.95Å; L367-A376 HydrophobicContact CB-CB 3.94Å; L367-A376 HydrophobicContact CD1-CB 4.21Å; L367-P378 HydrophobicContact CD2-CB 4.28Å; L367-H387 HydrophobicContact CD2-CB 4.36Å
368G87.1Confident88.6Confident23 Ų2368.7 Ų68.724%0.23737%0.374CS..  trans-69.3-174.8173.900000112.8F377G368-F377 PolarHBondContact N-O 2.75Å
369E83.4Confident88.4Confident187 Ų18775.5 Ų75.587%0.87441%0.405SS*.  trans-63.3149.3175.1-63.8-172.1167.400111.5G371E369-G371 PolarHBondContact O-N 3.14Å
370Q83Confident88.3Confident154 Ų15475 Ų7572%0.7240%0.402SS*.  trans-64.4124.1175.9-77.7-177.6-22.500110A376Q370-A376 HydrophobicContact CG-CB 4.05Å
371G75.2Confident88.2Confident37 Ų3774.6 Ų74.638%0.38141%0.407SS..  trans-73.2177175.700000113E369 D373 G374 F375E369-G371 PolarHBondContact O-N 3.14Å; G371-D373 PolarHBondContact O-N 3.09Å; G371-G374 PolarHBondContact O-N 3.44Å; G371-F375 PolarHBondContact N-O 3.34Å
372E68.5Low88.2Confident209 Ų20980.2 Ų80.298%0.97743%0.431SS*.THydrogen-bonded Turntrans-59.8-28.6179.2-64-172.516700113G374E372-G374 PolarHBondContact O-N 3.43Å
373D68.1Low88.3Confident135 Ų13577.9 Ų77.972%0.72242%0.415SS*.THydrogen-bonded Turntrans-79.8-1177.8-60.8-40.9000113.7G371 F375G371-D373 PolarHBondContact O-N 3.09Å; D373-F375 HydrophobicContact CB-CD2 4.32Å
374G80.5Confident88.5Confident44 Ų4470.6 Ų70.645%0.45438%0.381SS..SBendtrans84.51.3177.200000115.6G371 E372G371-G374 PolarHBondContact O-N 3.44Å; E372-G374 PolarHBondContact O-N 3.43Å
375F88.8Confident88.8Confident29 Ų2969.9 Ų69.913%0.12738%0.375CS..  trans-99.4148.6176.5-55.3-54000112.2G371 D373 F377 H410 E414 A417G371-F375 PolarHBondContact N-O 3.34Å; D373-F375 HydrophobicContact CB-CD2 4.32Å; F375-F377 HydrophobicContact CB-CE1 4.34Å; F375-F377 HydrophobicContact CB-CE2 4.12Å; F375-F377 HydrophobicContact CB-CZ 3.84Å; F375-H410 AromaticContact CE1-CE1 3.69Å; F375-H410 AromaticContact CE1-NE2 3.88Å; F375-H410 AromaticContact CZ-CE1 3.92Å; F375-E414 HydrophobicContact CD1-CB 4.15Å; F375-E414 HydrophobicContact CD1-CG 3.88Å; F375-E414 HydrophobicContact CE1-CB 3.62Å; F375-E414 HydrophobicContact CE1-CG 3.86Å; F375-E414 HydrophobicContact CZ-CB 3.96Å; F375-A417 HydrophobicContact CD2-CB 4.01Å; F375-A417 HydrophobicContact CE2-CB 4.26Å
376A91.4Very high89Confident20 Ų2071.3 Ų71.317%0.16538%0.379CS..  trans-110.2130.917300000109.3L367 Q370 H418L367-A376 HydrophobicContact CB-CB 3.94Å; L367-A376 HydrophobicContact CD1-CB 4.21Å; Q370-A376 HydrophobicContact CG-CB 4.05Å; A376-H418 PolarHBondContact O-NE2 2.85Å
377F94.4Very high89.3Confident48 Ų4868.5 Ų68.521%0.21136%0.359CS..  trans-109.5151.8-170.6-64.6-75.2000112.8G368 F375 A417 H421G368-F377 PolarHBondContact N-O 2.75Å; F375-F377 HydrophobicContact CB-CE1 4.34Å; F375-F377 HydrophobicContact CB-CE2 4.12Å; F375-F377 HydrophobicContact CB-CZ 3.84Å; F377-A417 HydrophobicContact CE1-CB 3.96Å; F377-A417 HydrophobicContact CZ-CB 4.06Å; F377-H421 HydrophobicContact CD1-CB 3.76Å; F377-H421 AromaticContact CD1-CG 3.76Å; F377-H421 HydrophobicContact CE1-CB 4.07Å; F377-H421 HydrophobicContact CG-CB 4.4Å; F377-H421 AromaticContact CG-CG 3.94Å
378P94.4Very high89.6Confident2 Ų265.7 Ų65.71%0.01335%0.345CS..BIsolated β-bridgetrans-70.2143.1172.829.2-34.6000111.5L367 A383 L384 H421 F425L367-P378 HydrophobicContact CD2-CB 4.28Å; P378-A383 HydrophobicContact CB-CB 3.71Å; P378-L384 HydrophobicContact CB-CB 3.89Å; P378-L384 VanDerWaalsContact CB-N 3.34Å; P378-L384 HydrophobicContact CG-CB 3.75Å; P378-L384 HydrophobicContact CG-CD1 4.29Å; P378-L384 HydrophobicContact CG-CG 4.05Å; P378-H421 PolarHBondContact O-NE2 3.36Å; P378-F425 WeakPolarHBondContact O-CZ 3.4Å
379E93.4Very high90.1Very high155 Ų15564.6 Ų64.672%0.72433%0.333SS*.SBendtrans-90.7-19.2178.4-63-174.6161.200113.5F425E379-F425 WeakPolarHBondContact O-CE1 3.44Å
380D94.9Very high90.8Very high75 Ų7555.9 Ų55.940%0.40129%0.293SS..SBendtrans-143172.2178.574.728.7000112.7K382 A383 L384D380-K382 VanDerWaalsContact C-N 3.26Å; D380-K382 PolarHBondContact O-N 3.35Å; D380-K382 WeakPolarHBondContact OD1-CA 3.45Å; D380-K382 WeakPolarHBondContact OD1-CB 3.46Å; D380-K382 PolarHBondContact OD1-N 2.9Å; D380-A383 PolarHBondContact O-N 3.09Å; D380-A383 WeakPolarHBondContact OD1-CB 3.35Å; D380-A383 PolarHBondContact OD1-N 3.46Å; D380-L384 WeakPolarHBondContact O-CB 3.45Å; D380-L384 PolarHBondContact O-N 3.46Å
381T95.5Very high91.6Very high53 Ų5349 Ų4933%0.32526%0.262SS..Hα-helixtrans-66.2-24.5-178.454.90000113.7Q385 F425 F436T381-Q385 WeakPolarHBondContact O-CB 3.47Å; T381-Q385 PolarHBondContact O-N 3.08Å; T381-F425 HydrophobicContact CG2-CB 3.77Å; T381-F425 HydrophobicContact CG2-CG 4.18Å; T381-F436 HydrophobicContact CG2-CD1 4.04Å; T381-F436 HydrophobicContact CG2-CD2 3.85Å; T381-F436 HydrophobicContact CG2-CE1 4.16Å; T381-F436 HydrophobicContact CG2-CE2 3.97Å; T381-F436 HydrophobicContact CG2-CG 3.89Å; T381-F436 HydrophobicContact CG2-CZ 4.13Å
382K96.4Very high92.7Very high118 Ų11847.6 Ų47.651%0.51325%0.245SC..Hα-helixtrans-77.1-44.2177.9-65.4179.5-177.9171.60110.8D334 D380 L384 Q385 R386D334-K382 HydrophobicContact CB-CB 3.74Å; D334-K382 HydrophobicContact CB-CG 4.03Å; D380-K382 VanDerWaalsContact C-N 3.26Å; D380-K382 PolarHBondContact O-N 3.35Å; D380-K382 WeakPolarHBondContact OD1-CA 3.45Å; D380-K382 WeakPolarHBondContact OD1-CB 3.46Å; D380-K382 PolarHBondContact OD1-N 2.9Å; K382-L384 VanDerWaalsContact C-N 3.3Å; K382-Q385 PolarHBondContact O-N 2.97Å; K382-R386 VanDerWaalsContact O-CG 3.32Å; K382-R386 WeakPolarHBondContact O-CG 3.42Å; K382-R386 PolarHBondContact O-N 3.33Å
383A96.9Very high94.1Very high3 Ų337.6 Ų37.63%0.02520%0.199CC..Hα-helixtrans-58.7-45.3172.700000110.6P366 P378 D380 R386 H387P366-A383 HydrophobicContact CG-CB 3.82Å; P366-A383 WeakPolarHBondContact O-CB 3.47Å; P378-A383 HydrophobicContact CB-CB 3.71Å; D380-A383 PolarHBondContact O-N 3.09Å; D380-A383 WeakPolarHBondContact OD1-CB 3.35Å; D380-A383 PolarHBondContact OD1-N 3.46Å; A383-R386 WeakPolarHBondContact O-CB 3.41Å; A383-R386 PolarHBondContact O-N 2.97Å; A383-H387 PolarHBondContact O-N 3.06Å
384L97.6Very high95.5Very high1 Ų131.8 Ų31.81%0.00517%0.169CC..Hα-helixtrans-58.4-51.3175.6-172.8157.3000111.2P378 D380 K382 R386 H387 L388 F425 F436 Y440P378-L384 HydrophobicContact CB-CB 3.89Å; P378-L384 VanDerWaalsContact CB-N 3.34Å; P378-L384 HydrophobicContact CG-CB 3.75Å; P378-L384 HydrophobicContact CG-CD1 4.29Å; P378-L384 HydrophobicContact CG-CG 4.05Å; D380-L384 WeakPolarHBondContact O-CB 3.45Å; D380-L384 PolarHBondContact O-N 3.46Å; K382-L384 VanDerWaalsContact C-N 3.3Å; L384-R386 VanDerWaalsContact C-N 3.29Å; L384-R386 PolarHBondContact O-N 2.95Å; L384-H387 PolarHBondContact O-N 3.4Å; L384-L388 WeakPolarHBondContact O-CB 3.25Å; L384-L388 PolarHBondContact O-N 3.43Å; L384-F425 HydrophobicContact CD1-CD2 3.64Å; L384-F425 HydrophobicContact CD1-CE2 3.89Å; L384-F436 HydrophobicContact CD2-CB 4.39Å; L384-F436 WeakPolarHBondContact CD2-O 3.41Å; L384-Y440 HydrophobicContact CD2-CE2 3.93Å; L384-Y440 HydrophobicContact CG-CE2 4.02Å; L384-Y440 PolarHBondContact O-OH 3.34Å
385Q97.9Very high96.3Very high26 Ų2629.8 Ų29.812%0.12115%0.147CC..Hα-helixtrans-62.9-34.9-179.7-17756.470.700112.7G333 D334 T381 K382 C389G333-Q385 CarbonylContact O-C 3.58Å; D334-Q385 VanDerWaalsContact C-CG 3.42Å; D334-Q385 WeakPolarHBondContact O-CG 3.3Å; T381-Q385 WeakPolarHBondContact O-CB 3.47Å; T381-Q385 PolarHBondContact O-N 3.08Å; K382-Q385 PolarHBondContact O-N 2.97Å; Q385-C389 WeakPolarHBondContact O-CB 3.28Å; Q385-C389 PolarHBondContact O-N 3.45Å
386R98Very high96.7Very high41 Ų4128.9 Ų28.916%0.15515%0.145CC..Hα-helixtrans-64.3-51.8173.4-75173.2-177.3-76.2-2.3111.1F329 R330 G333 D334 V365 K382 A383 L384 L388 C389 V390F329-R386 HydrophobicContact CE1-CB 4.45Å; F329-R386 HydrophobicContact CZ-CB 3.92Å; F329-R386 HydrophobicContact CZ-CG 4.27Å; F329-R386 WeakPolarHBondContact CZ-O 3.25Å; F329-R386 PolarHBondContact O-NH1 3.32Å; R330-R386 PolarHBondContact O-NH1 2.96Å; R330-R386 VanDerWaalsContact O-NH1 3.11Å; R330-R386 PolarHBondContact O-NH2 3.39Å; G333-R386 VanDerWaalsContact O-CA 3.31Å; G333-R386 WeakPolarHBondContact O-CA 3.44Å; G333-R386 WeakPolarHBondContact O-CG 3.49Å; G333-R386 PolarHBondContact O-N 2.88Å; D334-R386 HydrophobicContact CB-CG 4.3Å; D334-R386 IonicContact OD1-NH2 3.2Å; V365-R386 HydrophobicContact CG1-CB 4.22Å; V365-R386 HydrophobicContact CG2-CB 4.17Å; K382-R386 VanDerWaalsContact O-CG 3.32Å; K382-R386 WeakPolarHBondContact O-CG 3.42Å; K382-R386 PolarHBondContact O-N 3.33Å; A383-R386 WeakPolarHBondContact O-CB 3.41Å; A383-R386 PolarHBondContact O-N 2.97Å; L384-R386 VanDerWaalsContact C-N 3.29Å; L384-R386 PolarHBondContact O-N 2.95Å; R386-L388 VanDerWaalsContact C-N 3.32Å; R386-L388 PolarHBondContact O-N 2.84Å; R386-C389 WeakPolarHBondContact O-CB 3.31Å; R386-C389 PolarHBondContact O-N 3.16Å; R386-C389 VanDerWaalsContact O-N 3.16Å; R386-V390 WeakPolarHBondContact O-CG2 3.47Å; R386-V390 PolarHBondContact O-N 3.5Å
387H98.3Very high96.9Very high17 Ų1728.8 Ų28.88%0.07914%0.142CC..Hα-helixtrans-57-48.2178.3-173.8-118.4000111V365 L367 A383 L384 C389 V390 C391 H418 Y440V365-H387 HydrophobicContact CG1-CB 3.85Å; L367-H387 HydrophobicContact CD2-CB 4.36Å; A383-H387 PolarHBondContact O-N 3.06Å; L384-H387 PolarHBondContact O-N 3.4Å; H387-C389 VanDerWaalsContact C-N 3.3Å; H387-C389 PolarHBondContact O-N 3.31Å; H387-V390 WeakPolarHBondContact O-CA 3.37Å; H387-V390 WeakPolarHBondContact O-CB 3.39Å; H387-V390 PolarHBondContact O-N 3.46Å; H387-C391 PolarHBondContact O-N 3.31Å; H387-C391 PolarHBondContact O-SG 2.85Å; H387-H418 AromaticContact CE1-CD2 3.65Å; H387-H418 AromaticContact CE1-CE1 3.69Å; H387-H418 AromaticContact CE1-NE2 3.29Å; H387-H418 PolarHBondContact CE1-NE2 2.62Å; H387-H418 VanDerWaalsContact CE1-NE2 3.29Å; H387-H418 AromaticContact ND1-CD2 3.48Å; H387-H418 PolarHBondContact ND1-CD2 2.87Å; H387-H418 AromaticContact ND1-NE2 3.52Å; H387-Y440 VanDerWaalsContact CB-OH 3.32Å; H387-Y440 WeakPolarHBondContact CB-OH 3.23Å; H387-Y440 AromaticContact ND1-CE1 3.86Å; H387-Y440 AromaticContact ND1-CZ 3.63Å; H387-Y440 PolarHBondContact ND1-OH 2.91Å
388L98Very high97Very high2 Ų227.2 Ų27.21%0.0114%0.14CC..Hα-helixtrans-56.5-43.6177.1176.464.5000112L384 R386 V390 C391 Q392 M439 Y440 M443L384-L388 WeakPolarHBondContact O-CB 3.25Å; L384-L388 PolarHBondContact O-N 3.43Å; R386-L388 VanDerWaalsContact C-N 3.32Å; R386-L388 PolarHBondContact O-N 2.84Å; L388-V390 VanDerWaalsContact C-N 3.32Å; L388-V390 PolarHBondContact O-N 2.99Å; L388-C391 PolarHBondContact O-N 3.26Å; L388-Q392 HydrophobicContact CD1-CG 4.47Å; L388-Q392 VanDerWaalsContact O-CG 3.3Å; L388-Q392 WeakPolarHBondContact O-CG 3.45Å; L388-Q392 PolarHBondContact O-N 3.3Å; L388-M439 HydrophobicContact CD1-CB 3.68Å; L388-M439 HydrophobicContact CD2-CB 3.59Å; L388-M439 HydrophobicContact CD2-CG 4.16Å; L388-M439 HydrophobicContact CG-CB 4.16Å; L388-Y440 WeakPolarHBondContact CA-OH 3.44Å; L388-Y440 HydrophobicContact CB-CE1 4.24Å; L388-Y440 HydrophobicContact CB-CE2 4.17Å; L388-Y440 HydrophobicContact CD1-CD1 3.85Å; L388-Y440 HydrophobicContact CD1-CD2 4.31Å; L388-Y440 HydrophobicContact CD1-CE1 3.85Å; L388-Y440 HydrophobicContact CD1-CE2 4.31Å; L388-Y440 HydrophobicContact CD1-CG 4.08Å; L388-Y440 PolarHBondContact N-OH 3.37Å; L388-M443 HydrophobicContact CD1-SD 4.1Å
389C98.3Very high97.1Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-62.9-37.7176.7-178.80000111.9F329 C338 Q385 R386 H387 Q392 L393F329-C389 HydrophobicContact CE2-CB 3.92Å; C338-C389 VanDerWaalsContact SG-SG 3.7Å; Q385-C389 WeakPolarHBondContact O-CB 3.28Å; Q385-C389 PolarHBondContact O-N 3.45Å; R386-C389 WeakPolarHBondContact O-CB 3.31Å; R386-C389 PolarHBondContact O-N 3.16Å; R386-C389 VanDerWaalsContact O-N 3.16Å; H387-C389 VanDerWaalsContact C-N 3.3Å; H387-C389 PolarHBondContact O-N 3.31Å; C389-Q392 PolarHBondContact O-N 2.93Å; C389-L393 WeakPolarHBondContact O-CB 3.49Å; C389-L393 VanDerWaalsContact O-CG 3.26Å; C389-L393 WeakPolarHBondContact O-CG 3.38Å; C389-L393 PolarHBondContact O-N 3.3Å
390V98.3Very high97.3Very high4 Ų422.5 Ų22.52%0.02412%0.118CC..Hα-helixtrans-60.9-49172.2178.90000110.8F329 I358 L361 V365 R386 H387 L388 Q392 L393 S394F329-V390 HydrophobicContact CE1-CG2 4.38Å; F329-V390 HydrophobicContact CE2-CG2 3.99Å; F329-V390 HydrophobicContact CZ-CG2 3.59Å; I358-V390 HydrophobicContact CD1-CG1 4.47Å; I358-V390 HydrophobicContact CG2-CG1 4Å; L361-V390 HydrophobicContact CB-CG1 4.5Å; L361-V390 HydrophobicContact CB-CG2 3.7Å; L361-V390 HydrophobicContact CD1-CG2 4.44Å; V365-V390 HydrophobicContact CG2-CG2 3.88Å; R386-V390 WeakPolarHBondContact O-CG2 3.47Å; R386-V390 PolarHBondContact O-N 3.5Å; H387-V390 WeakPolarHBondContact O-CA 3.37Å; H387-V390 WeakPolarHBondContact O-CB 3.39Å; H387-V390 PolarHBondContact O-N 3.46Å; L388-V390 VanDerWaalsContact C-N 3.32Å; L388-V390 PolarHBondContact O-N 2.99Å; V390-Q392 VanDerWaalsContact C-N 3.3Å; V390-Q392 PolarHBondContact O-N 3.36Å; V390-L393 PolarHBondContact O-N 3.06Å; V390-S394 WeakPolarHBondContact O-CB 3.39Å; V390-S394 PolarHBondContact O-N 3.03Å; V390-S394 PolarHBondContact O-OG 3.48Å; V390-S394 VanDerWaalsContact O-OG 3.06Å
391C98Very high97.3Very high11 Ų1119.9 Ų19.97%0.07410%0.103CC..Hα-helixtrans-58-42.9177.7-56.20000111.8H387 L388 S394 R395 H400 L415 M443H387-C391 PolarHBondContact O-N 3.31Å; H387-C391 PolarHBondContact O-SG 2.85Å; L388-C391 PolarHBondContact O-N 3.26Å; C391-S394 WeakPolarHBondContact O-CB 3.49Å; C391-S394 PolarHBondContact O-N 3.41Å; C391-R395 PolarHBondContact O-N 3.49Å; C391-H400 PolarHBondContact O-CE1 2.96Å; C391-L415 HydrophobicContact CB-CD2 4.44Å; C391-M443 HydrophobicContact CB-CE 3.66Å; C391-M443 HydrophobicContact CB-SD 3.87Å; C391-M443 VanDerWaalsContact O-CE 3.24Å; C391-M443 WeakPolarHBondContact O-CE 3.39Å
392Q98.3Very high97.2Very high6 Ų621.8 Ų21.83%0.02812%0.119CC..Hα-helixtrans-65.1-40.9177.5-69.8169.5-26.800112.4I339 L388 C389 V390 R395 A396 M443 W637I339-Q392 HydrophobicContact CB-CB 4.44Å; I339-Q392 HydrophobicContact CD1-CB 3.78Å; I339-Q392 HydrophobicContact CG1-CB 3.87Å; L388-Q392 HydrophobicContact CD1-CG 4.47Å; L388-Q392 VanDerWaalsContact O-CG 3.3Å; L388-Q392 WeakPolarHBondContact O-CG 3.45Å; L388-Q392 PolarHBondContact O-N 3.3Å; C389-Q392 PolarHBondContact O-N 2.93Å; V390-Q392 VanDerWaalsContact C-N 3.3Å; V390-Q392 PolarHBondContact O-N 3.36Å; Q392-R395 PolarHBondContact O-N 3.43Å; Q392-A396 WeakPolarHBondContact O-CB 3.3Å; Q392-A396 PolarHBondContact O-N 3.11Å; Q392-M443 HydrophobicContact CG-SD 3.61Å; Q392-W637 HydrophobicContact CB-CG 4.36Å; Q392-W637 HydrophobicContact CG-CD2 4.21Å; Q392-W637 HydrophobicContact CG-CG 4.33Å; Q392-W637 HydrophobicContact CG-CZ2 4.32Å
393L98.2Very high97.2Very high0 Ų019.1 Ų19.10%011%0.11CC..Hα-helixtrans-65.9-40.6175-72.4168.4000111.4I339 L342 L346 F357 I358 L361 C389 V390 R395 A396 L397I339-L393 HydrophobicContact CD1-CD2 3.55Å; I339-L393 HydrophobicContact CD1-CG 3.78Å; L342-L393 HydrophobicContact CB-CD2 4.11Å; L342-L393 HydrophobicContact CD1-CD1 4.1Å; L346-L393 HydrophobicContact CD1-CD2 4.26Å; L346-L393 HydrophobicContact CD2-CD2 4.05Å; F357-L393 HydrophobicContact CE1-CD1 4.37Å; I358-L393 HydrophobicContact CD1-CB 3.81Å; L361-L393 HydrophobicContact CD1-CD1 3.48Å; L361-L393 VanDerWaalsContact CD1-CD1 3.48Å; C389-L393 WeakPolarHBondContact O-CB 3.49Å; C389-L393 VanDerWaalsContact O-CG 3.26Å; C389-L393 WeakPolarHBondContact O-CG 3.38Å; C389-L393 PolarHBondContact O-N 3.3Å; V390-L393 PolarHBondContact O-N 3.06Å; L393-R395 VanDerWaalsContact C-N 3.3Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-A396 PolarHBondContact O-N 3.05Å; L393-A396 VanDerWaalsContact O-N 3.14Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 2.9Å
394S97.9Very high97.2Very high12 Ų1224.2 Ų24.28%0.08414%0.137CC..Hα-helixtrans-58.6-41.6173.6-64.50000111.7I358 V390 C391 G398 L399 H400I358-S394 WeakPolarHBondContact CD1-OG 3.28Å; I358-S394 VanDerWaalsContact CG2-OG 3.3Å; I358-S394 WeakPolarHBondContact CG2-OG 3.48Å; V390-S394 WeakPolarHBondContact O-CB 3.39Å; V390-S394 PolarHBondContact O-N 3.03Å; V390-S394 PolarHBondContact O-OG 3.48Å; V390-S394 VanDerWaalsContact O-OG 3.06Å; C391-S394 WeakPolarHBondContact O-CB 3.49Å; C391-S394 PolarHBondContact O-N 3.41Å; S394-G398 PolarHBondContact O-N 3.37Å; S394-L399 WeakPolarHBondContact O-CB 3.28Å; S394-L399 PolarHBondContact O-N 3.4Å; S394-H400 WeakPolarHBondContact CB-NE2 3.45Å
395R97.5Very high97.2Very high3 Ų327.8 Ų27.81%0.01116%0.159CC..Hα-helixtrans-64-46.5172.6-168.6170.8176.592.27.8111.8C391 Q392 L393 L397 G398 H401 M443 D450 W637 D638C391-R395 PolarHBondContact O-N 3.49Å; Q392-R395 PolarHBondContact O-N 3.43Å; L393-R395 VanDerWaalsContact C-N 3.3Å; L393-R395 PolarHBondContact O-N 2.92Å; R395-L397 VanDerWaalsContact C-N 3.27Å; R395-L397 PolarHBondContact O-N 2.79Å; R395-G398 WeakPolarHBondContact O-CA 3.32Å; R395-G398 PolarHBondContact O-N 2.89Å; R395-H401 PolarHBondContact NH2-NE2 3.25Å; R395-M443 HydrophobicContact CB-CE 4.3Å; R395-D450 IonicContact CZ-OD2 3.24Å; R395-D450 VanDerWaalsContact CZ-OD2 3.31Å; R395-D450 IonicContact NH1-OD2 3.6Å; R395-D450 PolarHBondContact NH1-OD2 2.93Å; R395-D450 IonicContact NH2-OD1 3.56Å; R395-D450 PolarHBondContact NH2-OD1 3.34Å; R395-D450 IonicContact NH2-OD2 2.68Å; R395-D450 PolarHBondContact NH2-OD2 3.14Å; R395-W637 CarbonylContact C-O 3.54Å; R395-W637 HydrophobicContact CB-CB 4.33Å; R395-W637 HydrophobicContact CG-CB 4.33Å; R395-D638 IonicContact CZ-OD1 3.92Å; R395-D638 IonicContact NE-OD1 2.68Å; R395-D638 PolarHBondContact NE-OD1 3.46Å; R395-D638 IonicContact NH2-OD1 3.09Å; R395-D638 PolarHBondContact NH2-OD1 2.94Å
396A97.1Very high97.1Very high10 Ų1030.6 Ų30.68%0.08318%0.181CC..Hα-helixtrans-64.6-29-177.900000113.7L346 Q392 L393 G398 W637 P639L346-A396 HydrophobicContact CD1-CB 3.75Å; Q392-A396 WeakPolarHBondContact O-CB 3.3Å; Q392-A396 PolarHBondContact O-N 3.11Å; L393-A396 PolarHBondContact O-N 3.05Å; L393-A396 VanDerWaalsContact O-N 3.14Å; A396-G398 VanDerWaalsContact C-N 3.26Å; A396-W637 WeakPolarHBondContact CA-O 3.4Å; A396-W637 PolarHBondContact N-O 2.9Å; A396-W637 VanDerWaalsContact N-O 3.07Å; A396-P639 WeakPolarHBondContact O-CA 3.25Å; A396-P639 WeakPolarHBondContact O-CB 3.24Å
397L96.8Very high97Very high17 Ų1729.5 Ų29.59%0.08918%0.182CC..THydrogen-bonded Turntrans-82.3-1.1173.3-68.5171.3000113.5L346 H354 F357 I358 L393 R395 L399L346-L397 HydrophobicContact CB-CD2 4.02Å; L346-L397 HydrophobicContact CD1-CD2 4.03Å; L346-L397 HydrophobicContact CD1-CG 4.24Å; L346-L397 HydrophobicContact CD2-CD2 4.13Å; L346-L397 HydrophobicContact CG-CD2 4.27Å; H354-L397 HydrophobicContact CB-CB 4.4Å; H354-L397 HydrophobicContact CB-CD1 4.26Å; H354-L397 PolarHBondContact ND1-O 2.75Å; F357-L397 HydrophobicContact CD1-CD1 3.92Å; F357-L397 HydrophobicContact CE1-CD1 4.47Å; I358-L397 HydrophobicContact CD1-CD1 3.95Å; I358-L397 HydrophobicContact CG1-CD1 3.9Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 WeakPolarHBondContact O-CG 3.29Å; L393-L397 PolarHBondContact O-N 2.9Å; R395-L397 VanDerWaalsContact C-N 3.27Å; R395-L397 PolarHBondContact O-N 2.79Å; L397-L399 HydrophobicContact CB-CG 4.25Å
398G95.8Very high97Very high16 Ų1628.7 Ų28.717%0.16518%0.179CC..THydrogen-bonded Turntrans84.32.8178.200000115.2S394 R395 A396 H400 H401 S402S394-G398 PolarHBondContact O-N 3.37Å; R395-G398 WeakPolarHBondContact O-CA 3.32Å; R395-G398 PolarHBondContact O-N 2.89Å; A396-G398 VanDerWaalsContact C-N 3.26Å; G398-H400 PolarHBondContact O-N 3.47Å; G398-H401 WeakPolarHBondContact O-CB 3.32Å; G398-H401 PolarHBondContact O-N 3.11Å; G398-H401 VanDerWaalsContact O-N 3.11Å; G398-S402 PolarHBondContact O-N 2.96Å
399L96.4Very high96.9Very high39 Ų3932.4 Ų32.420%0.20420%0.198CC..THydrogen-bonded Turntrans-65.1-36.7-173.3-58.2-179.1000112.7H354 V355 I358 S394 L397 H401 S402H354-L399 HydrophobicContact CB-CD2 4.32Å; V355-L399 HydrophobicContact CG2-CD2 4.07Å; I358-L399 HydrophobicContact CB-CD1 4.29Å; I358-L399 HydrophobicContact CG1-CD1 3.74Å; S394-L399 WeakPolarHBondContact O-CB 3.28Å; S394-L399 PolarHBondContact O-N 3.4Å; L397-L399 HydrophobicContact CB-CG 4.25Å; L399-H401 VanDerWaalsContact C-N 3.31Å; L399-H401 PolarHBondContact O-N 3.12Å; L399-S402 WeakPolarHBondContact CA-OG 3.34Å; L399-S402 PolarHBondContact O-N 2.91Å; L399-S402 PolarHBondContact O-OG 2.91Å
400H96.6Very high96.8Very high18 Ų1837.8 Ų37.88%0.08322%0.223CC..THydrogen-bonded Turntrans-70-29.2176.4-61.5175.7000112.7C391 S394 G398 S402 L403 L411C391-H400 PolarHBondContact O-CE1 2.96Å; S394-H400 WeakPolarHBondContact CB-NE2 3.45Å; G398-H400 PolarHBondContact O-N 3.47Å; H400-S402 VanDerWaalsContact C-N 3.35Å; H400-L403 PolarHBondContact O-N 2.86Å; H400-L411 HydrophobicContact CB-CD2 3.89Å
401H95.1Very high96.7Very high20 Ų2038.1 Ų38.19%0.09323%0.225CC..THydrogen-bonded Turntrans-75.4-26.8178.1-64.895.2000112.2R395 G398 L399 L403 D450 D638 P639 R642R395-H401 PolarHBondContact NH2-NE2 3.25Å; G398-H401 WeakPolarHBondContact O-CB 3.32Å; G398-H401 PolarHBondContact O-N 3.11Å; G398-H401 VanDerWaalsContact O-N 3.11Å; L399-H401 VanDerWaalsContact C-N 3.31Å; L399-H401 PolarHBondContact O-N 3.12Å; H401-L403 VanDerWaalsContact C-N 3.29Å; H401-D450 IonicContact NE2-OD1 3.32Å; H401-D450 IonicContact NE2-OD2 3.89Å; H401-D638 IonicContact CE1-OD1 3.55Å; H401-D638 IonicContact NE2-OD1 3.09Å; H401-P639 VanDerWaalsContact CE1-CD 3.41Å; H401-P639 WeakPolarHBondContact CE1-CD 3.46Å; H401-R642 VanDerWaalsContact CD2-CZ 3.46Å; H401-R642 PolarHBondContact CD2-NH1 3.44Å
402S94.6Very high96.7Very high94 Ų9437.8 Ų37.866%0.65722%0.222SC*.THydrogen-bonded Turntrans-78.8-8.617651.80000114.4G398 L399 H400G398-S402 PolarHBondContact O-N 2.96Å; L399-S402 WeakPolarHBondContact CA-OG 3.34Å; L399-S402 PolarHBondContact O-N 2.91Å; L399-S402 PolarHBondContact O-OG 2.91Å; H400-S402 VanDerWaalsContact C-N 3.35Å
403L96.8Very high96.6Very high62 Ų6239.8 Ų39.833%0.32524%0.24SC..SBendtrans-67.7145.1174.7-64174.8000110.6H400 H401 K408 L411H400-L403 PolarHBondContact O-N 2.86Å; H401-L403 VanDerWaalsContact C-N 3.29Å; L403-K408 HydrophobicContact CB-CG 3.8Å; L403-K408 VanDerWaalsContact O-CE 3.29Å; L403-K408 WeakPolarHBondContact O-CE 3.31Å; L403-L411 HydrophobicContact CD1-CB 4.21Å; L403-L411 HydrophobicContact CD1-CD2 3.84Å
404D96.6Very high96.4Very high109 Ų10942.1 Ų42.158%0.58325%0.25SS*.  trans-75.6177.416970-17000111.1S406 G407 K408D404-S406 VanDerWaalsContact C-N 3.28Å; D404-S406 PolarHBondContact O-N 3.5Å; D404-G407 PolarHBondContact O-N 3.07Å; D404-G407 WeakPolarHBondContact OD1-CA 3.36Å; D404-G407 PolarHBondContact OD1-N 3.49Å; D404-K408 WeakPolarHBondContact O-CG 3.38Å; D404-K408 PolarHBondContact O-N 2.93Å
405V96.1Very high96.4Very high77 Ų7741.6 Ų41.647%0.46725%0.247SC..Hα-helixtrans-56.8-43.7-177.9177.40000111.5K408 L409 L451 T455V405-K408 PolarHBondContact O-N 3.41Å; V405-L409 HydrophobicContact CG1-CD1 4.14Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 3.21Å; V405-L451 HydrophobicContact CB-CD2 4.45Å; V405-L451 HydrophobicContact CG1-CD2 4.15Å; V405-L451 HydrophobicContact CG2-CD2 4.38Å; V405-T455 HydrophobicContact CG2-CG2 4.35Å
406S96.3Very high96.4Very high85 Ų8542.5 Ų42.559%0.59425%0.251SS*.Hα-helixtrans-63.3-46.6178.4-171.80000111.6D404 K408 L409 H410D404-S406 VanDerWaalsContact C-N 3.28Å; D404-S406 PolarHBondContact O-N 3.5Å; S406-K408 PolarHBondContact O-N 2.91Å; S406-L409 PolarHBondContact O-N 3.4Å; S406-H410 PolarHBondContact O-N 3.47Å
407G96.6Very high96.3Very high17 Ų1743.3 Ų43.318%0.17526%0.258CS..Hα-helixtrans-62.1-39.5177.100000113D404 H410 L411D404-G407 PolarHBondContact O-N 3.07Å; D404-G407 WeakPolarHBondContact OD1-CA 3.36Å; D404-G407 PolarHBondContact OD1-N 3.49Å; G407-H410 PolarHBondContact O-N 3.38Å; G407-L411 WeakPolarHBondContact O-CB 3.4Å; G407-L411 PolarHBondContact O-N 2.93Å
408K97.5Very high96.3Very high1 Ų142.7 Ų42.70%0.00425%0.254CS..Hα-helixtrans-66-40.7175.4-72.3-176.5-178-175.70112.4L403 D404 V405 S406 L411 I412 V447 L451 E454L403-K408 HydrophobicContact CB-CG 3.8Å; L403-K408 VanDerWaalsContact O-CE 3.29Å; L403-K408 WeakPolarHBondContact O-CE 3.31Å; D404-K408 WeakPolarHBondContact O-CG 3.38Å; D404-K408 PolarHBondContact O-N 2.93Å; V405-K408 PolarHBondContact O-N 3.41Å; S406-K408 PolarHBondContact O-N 2.91Å; K408-L411 PolarHBondContact O-N 3.38Å; K408-I412 VanDerWaalsContact O-CG1 3.3Å; K408-I412 WeakPolarHBondContact O-CG1 3.32Å; K408-I412 PolarHBondContact O-N 3.48Å; K408-V447 HydrophobicContact CB-CG1 3.83Å; K408-V447 HydrophobicContact CD-CG1 4.47Å; K408-V447 HydrophobicContact CG-CG1 4.13Å; K408-L451 HydrophobicContact CB-CD1 4.04Å; K408-L451 HydrophobicContact CB-CD2 3.9Å; K408-L451 HydrophobicContact CB-CG 4.02Å; K408-L451 HydrophobicContact CD-CD2 3.72Å; K408-L451 HydrophobicContact CD-CG 4.04Å; K408-L451 HydrophobicContact CG-CD2 4.43Å; K408-E454 IonicContact NZ-OE1 2.58Å; K408-E454 PolarHBondContact NZ-OE1 3.06Å; K408-E454 IonicContact NZ-OE2 3.98Å; K408-E454 PolarHBondContact NZ-OE2 3.44Å
409L96.1Very high96.4Very high79 Ų7942 Ų4241%0.41425%0.246SC..Hα-helixtrans-65.1-39.8175.1-70.8171.3000111.9V405 S406 I412 A413 L451 M460V405-L409 HydrophobicContact CG1-CD1 4.14Å; V405-L409 WeakPolarHBondContact O-CG 3.42Å; V405-L409 PolarHBondContact O-N 3.21Å; S406-L409 PolarHBondContact O-N 3.4Å; L409-I412 PolarHBondContact O-N 2.94Å; L409-A413 PolarHBondContact O-N 3.34Å; L409-L451 HydrophobicContact CD2-CD1 3.81Å; L409-L451 HydrophobicContact CG-CD1 4.15Å; L409-M460 HydrophobicContact CD2-SD 4.27Å
410H95.8Very high96.3Very high113 Ų11343.1 Ų43.152%0.52325%0.251SS..Hα-helixtrans-63.4-45.3173.9-176.370000111.8F375 S406 G407 I412 A413 E414F375-H410 AromaticContact CE1-CE1 3.69Å; F375-H410 AromaticContact CE1-NE2 3.88Å; F375-H410 AromaticContact CZ-CE1 3.92Å; S406-H410 PolarHBondContact O-N 3.47Å; G407-H410 PolarHBondContact O-N 3.38Å; H410-I412 VanDerWaalsContact C-N 3.32Å; H410-I412 PolarHBondContact O-N 3.29Å; H410-A413 WeakPolarHBondContact O-CB 3.47Å; H410-A413 PolarHBondContact O-N 2.97Å; H410-A413 VanDerWaalsContact O-N 3.13Å; H410-E414 PolarHBondContact O-N 3.17Å
411L97.3Very high96.2Very high12 Ų1244.3 Ų44.36%0.06326%0.256CS..Hα-helixtrans-59.9-41175.4176.362.9000111.9H400 L403 G407 K408 A413 E414 L415 V447H400-L411 HydrophobicContact CB-CD2 3.89Å; L403-L411 HydrophobicContact CD1-CB 4.21Å; L403-L411 HydrophobicContact CD1-CD2 3.84Å; G407-L411 WeakPolarHBondContact O-CB 3.4Å; G407-L411 PolarHBondContact O-N 2.93Å; K408-L411 PolarHBondContact O-N 3.38Å; L411-A413 VanDerWaalsContact C-N 3.34Å; L411-A413 PolarHBondContact O-N 3.36Å; L411-E414 PolarHBondContact O-N 3.28Å; L411-L415 HydrophobicContact CD1-CD1 3.99Å; L411-L415 HydrophobicContact CD1-CD2 4.43Å; L411-L415 HydrophobicContact CD1-CG 3.96Å; L411-L415 HydrophobicContact CG-CD1 3.85Å; L411-L415 HydrophobicContact CG-CG 4.27Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.93Å; L411-V447 HydrophobicContact CD2-CG2 3.97Å
412I97.2Very high96.3Very high4 Ų443.4 Ų43.42%0.02125%0.252CS..Hα-helixtrans-59.4-46.6174.1-75.5163000110.7K408 L409 H410 E414 L415 K416 V447 Y448 L451K408-I412 VanDerWaalsContact O-CG1 3.3Å; K408-I412 WeakPolarHBondContact O-CG1 3.32Å; K408-I412 PolarHBondContact O-N 3.48Å; L409-I412 PolarHBondContact O-N 2.94Å; H410-I412 VanDerWaalsContact C-N 3.32Å; H410-I412 PolarHBondContact O-N 3.29Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.08Å; I412-L415 PolarHBondContact O-N 3.07Å; I412-K416 HydrophobicContact CG2-CD 3.91Å; I412-K416 HydrophobicContact CG2-CG 4.42Å; I412-K416 WeakPolarHBondContact O-CB 3.19Å; I412-K416 VanDerWaalsContact O-CG 3.3Å; I412-K416 WeakPolarHBondContact O-CG 3.4Å; I412-K416 PolarHBondContact O-N 3.17Å; I412-V447 HydrophobicContact CD1-CB 4.16Å; I412-V447 HydrophobicContact CD1-CG1 3.77Å; I412-V447 HydrophobicContact CG1-CB 3.81Å; I412-V447 HydrophobicContact CG1-CG1 3.67Å; I412-Y448 HydrophobicContact CD1-CD1 3.73Å; I412-Y448 HydrophobicContact CD1-CD2 4.26Å; I412-Y448 HydrophobicContact CD1-CE1 3.88Å; I412-Y448 HydrophobicContact CD1-CE2 4.4Å; I412-Y448 HydrophobicContact CD1-CG 3.93Å; I412-Y448 HydrophobicContact CG1-CD2 4.49Å; I412-Y448 HydrophobicContact CG1-CE2 4.49Å; I412-Y448 HydrophobicContact CG2-CD2 4.26Å; I412-Y448 HydrophobicContact CG2-CE1 4.06Å; I412-Y448 HydrophobicContact CG2-CE2 3.48Å; I412-Y448 VanDerWaalsContact CG2-CE2 3.48Å; I412-Y448 WeakPolarHBondContact CG2-OH 3.23Å; I412-L451 HydrophobicContact CD1-CD1 3.66Å
413A95.5Very high96.3Very high48 Ų4840 Ų4040%0.39723%0.226SC..Hα-helixtrans-61-43.6178.600000111.6L409 H410 L411 K416 A417L409-A413 PolarHBondContact O-N 3.34Å; H410-A413 WeakPolarHBondContact O-CB 3.47Å; H410-A413 PolarHBondContact O-N 2.97Å; H410-A413 VanDerWaalsContact O-N 3.13Å; L411-A413 VanDerWaalsContact C-N 3.34Å; L411-A413 PolarHBondContact O-N 3.36Å; A413-K416 PolarHBondContact O-N 3.2Å; A413-A417 WeakPolarHBondContact O-CB 3.27Å; A413-A417 PolarHBondContact O-N 3.15Å
414E95.9Very high96.2Very high48 Ų4842.9 Ų42.922%0.22424%0.238CC..Hα-helixtrans-60.9-50.3175.6-177.1-174.9178.200112F375 H410 L411 I412 K416 A417 H418F375-E414 HydrophobicContact CD1-CB 4.15Å; F375-E414 HydrophobicContact CD1-CG 3.88Å; F375-E414 HydrophobicContact CE1-CB 3.62Å; F375-E414 HydrophobicContact CE1-CG 3.86Å; F375-E414 HydrophobicContact CZ-CB 3.96Å; H410-E414 PolarHBondContact O-N 3.17Å; L411-E414 PolarHBondContact O-N 3.28Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E414 PolarHBondContact O-N 3.08Å; E414-K416 VanDerWaalsContact C-N 3.32Å; E414-K416 PolarHBondContact O-N 3.43Å; E414-A417 PolarHBondContact O-N 3.23Å; E414-H418 PolarHBondContact O-N 3.35Å; E414-H418 PolarHBondContact O-ND1 3.22Å; E414-H418 IonicContact OE1-CE1 3.94Å
415L97.9Very high96Very high1 Ų140.2 Ų40.21%0.00522%0.221CC..Hα-helixtrans-62.8-39.8-179.8-68.6170.4000111.3C391 L411 I412 H418 Y419 Y440 M443 A444 V447C391-L415 HydrophobicContact CB-CD2 4.44Å; L411-L415 HydrophobicContact CD1-CD1 3.99Å; L411-L415 HydrophobicContact CD1-CD2 4.43Å; L411-L415 HydrophobicContact CD1-CG 3.96Å; L411-L415 HydrophobicContact CG-CD1 3.85Å; L411-L415 HydrophobicContact CG-CG 4.27Å; L411-L415 WeakPolarHBondContact O-CB 3.23Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.93Å; I412-L415 PolarHBondContact O-N 3.07Å; L415-H418 PolarHBondContact O-N 3.02Å; L415-Y419 WeakPolarHBondContact O-CB 3.42Å; L415-Y419 PolarHBondContact O-N 3.27Å; L415-Y440 HydrophobicContact CD2-CD1 3.68Å; L415-Y440 HydrophobicContact CD2-CE1 4.26Å; L415-M443 HydrophobicContact CD1-CB 4.02Å; L415-M443 HydrophobicContact CD2-CB 4.36Å; L415-A444 HydrophobicContact CB-CB 3.91Å; L415-A444 HydrophobicContact CD1-CB 4.24Å; L415-V447 HydrophobicContact CD1-CG2 4.4Å
416K96.6Very high95.7Very high23 Ų2336.6 Ų36.610%0.120%0.2CC..Hα-helixtrans-63.9-44.5174-74.9177.364.5-175.10111.4I412 A413 E414 H418 Y419 H420 A444 L467 E905I412-K416 HydrophobicContact CG2-CD 3.91Å; I412-K416 HydrophobicContact CG2-CG 4.42Å; I412-K416 WeakPolarHBondContact O-CB 3.19Å; I412-K416 VanDerWaalsContact O-CG 3.3Å; I412-K416 WeakPolarHBondContact O-CG 3.4Å; I412-K416 PolarHBondContact O-N 3.17Å; A413-K416 PolarHBondContact O-N 3.2Å; E414-K416 VanDerWaalsContact C-N 3.32Å; E414-K416 PolarHBondContact O-N 3.43Å; K416-H418 VanDerWaalsContact C-N 3.32Å; K416-H418 PolarHBondContact O-N 2.94Å; K416-Y419 WeakPolarHBondContact O-CB 3.45Å; K416-Y419 PolarHBondContact O-N 3.5Å; K416-H420 PolarHBondContact O-N 3.47Å; K416-H420 PolarHBondContact O-ND1 3.44Å; K416-A444 HydrophobicContact CG-CB 4.4Å; K416-L467 HydrophobicContact CD-CD1 4.47Å; K416-L467 HydrophobicContact CG-CD1 4.1Å; K416-L467 HydrophobicContact CG-CD2 4.39Å; K416-E905 WeakPolarHBondContact CE-OE1 3.46Å; K416-E905 IonicContact NZ-OE1 3.22Å; K416-E905 PolarHBondContact NZ-OE1 2.91Å; K416-E905 IonicContact NZ-OE2 2.76Å; K416-E905 PolarHBondContact NZ-OE2 2.94Å; K416-E905 VanDerWaalsContact NZ-OE2 3.09Å
417A95.3Very high95.3Very high27 Ų2739 Ų3922%0.22321%0.206CC..Hα-helixtrans-59.6-44.4177.600000111.3F375 F377 A413 E414 Y419 H420 H421F375-A417 HydrophobicContact CD2-CB 4.01Å; F375-A417 HydrophobicContact CE2-CB 4.26Å; F377-A417 HydrophobicContact CE1-CB 3.96Å; F377-A417 HydrophobicContact CZ-CB 4.06Å; A413-A417 WeakPolarHBondContact O-CB 3.27Å; A413-A417 PolarHBondContact O-N 3.15Å; E414-A417 PolarHBondContact O-N 3.23Å; A417-Y419 PolarHBondContact O-N 2.86Å; A417-H420 PolarHBondContact O-N 3.37Å; A417-H421 WeakPolarHBondContact O-CB 3.21Å; A417-H421 PolarHBondContact O-N 3.45Å
418H96.5Very high94.9Very high4 Ų443.7 Ų43.72%0.01924%0.236CC..Hα-helixtrans-66-36.2175.8-75.985.7000113.4A376 H387 E414 L415 K416 G422 Y440A376-H418 PolarHBondContact O-NE2 2.85Å; H387-H418 AromaticContact CE1-CD2 3.65Å; H387-H418 AromaticContact CE1-CE1 3.69Å; H387-H418 AromaticContact CE1-NE2 3.29Å; H387-H418 PolarHBondContact CE1-NE2 2.62Å; H387-H418 VanDerWaalsContact CE1-NE2 3.29Å; H387-H418 AromaticContact ND1-CD2 3.48Å; H387-H418 PolarHBondContact ND1-CD2 2.87Å; H387-H418 AromaticContact ND1-NE2 3.52Å; E414-H418 PolarHBondContact O-N 3.35Å; E414-H418 PolarHBondContact O-ND1 3.22Å; E414-H418 IonicContact OE1-CE1 3.94Å; L415-H418 PolarHBondContact O-N 3.02Å; K416-H418 VanDerWaalsContact C-N 3.32Å; K416-H418 PolarHBondContact O-N 2.94Å; H418-G422 PolarHBondContact O-N 3.25Å; H418-Y440 HydrophobicContact CB-CD1 4.05Å; H418-Y440 HydrophobicContact CB-CD2 4Å; H418-Y440 HydrophobicContact CB-CE1 4.04Å; H418-Y440 HydrophobicContact CB-CE2 4Å; H418-Y440 HydrophobicContact CB-CG 4.04Å
419Y97.2Very high94.4Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-57.8-53.9173.7166.9-111000110.9L415 K416 A417 G422 L423 S437 C441 G471 H474L415-Y419 WeakPolarHBondContact O-CB 3.42Å; L415-Y419 PolarHBondContact O-N 3.27Å; K416-Y419 WeakPolarHBondContact O-CB 3.45Å; K416-Y419 PolarHBondContact O-N 3.5Å; A417-Y419 PolarHBondContact O-N 2.86Å; Y419-G422 PolarHBondContact O-N 3.24Å; Y419-L423 HydrophobicContact CE1-CD1 4.18Å; Y419-L423 HydrophobicContact CE2-CD2 3.92Å; Y419-L423 HydrophobicContact CE2-CG 4.39Å; Y419-L423 PolarHBondContact O-N 3.29Å; Y419-S437 WeakPolarHBondContact O-CB 3.49Å; Y419-S437 PolarHBondContact O-OG 3.32Å; Y419-C441 HydrophobicContact CD1-CB 4.39Å; Y419-C441 HydrophobicContact CD2-CB 3.64Å; Y419-C441 HydrophobicContact CE2-CB 3.87Å; Y419-C441 HydrophobicContact CG-CB 3.93Å; Y419-G471 WeakPolarHBondContact OH-CA 3.44Å; Y419-H474 PolarHBondContact OH-CD2 2.93Å
420H95.4Very high94.1Very high64 Ų6446.3 Ų46.330%0.29625%0.253SS..Hα-helixtrans-63.4-47.8-178.7-67.9102000112.4K416 A417 G422 L423 E470K416-H420 PolarHBondContact O-N 3.47Å; K416-H420 PolarHBondContact O-ND1 3.44Å; A417-H420 PolarHBondContact O-N 3.37Å; H420-G422 PolarHBondContact O-N 2.9Å; H420-L423 WeakPolarHBondContact O-CB 3.28Å; H420-L423 PolarHBondContact O-N 2.86Å; H420-L423 VanDerWaalsContact O-N 3.14Å; H420-E470 IonicContact NE2-OE1 3.18Å; H420-E470 PolarHBondContact NE2-OE1 3.24Å; H420-E470 IonicContact NE2-OE2 3.34Å
421H94.9Very high93.7Very high43 Ų4349.4 Ų49.420%0.19927%0.265CS..Hα-helixtrans-56-42.8175.1179.575.5000111.4F377 P378 A417 L423 E424 F425F377-H421 HydrophobicContact CD1-CB 3.76Å; F377-H421 AromaticContact CD1-CG 3.76Å; F377-H421 HydrophobicContact CE1-CB 4.07Å; F377-H421 HydrophobicContact CG-CB 4.4Å; F377-H421 AromaticContact CG-CG 3.94Å; P378-H421 PolarHBondContact O-NE2 3.36Å; A417-H421 WeakPolarHBondContact O-CB 3.21Å; A417-H421 PolarHBondContact O-N 3.45Å; H421-L423 VanDerWaalsContact C-N 3.25Å; H421-L423 PolarHBondContact O-N 3.41Å; H421-E424 WeakPolarHBondContact O-CB 3.34Å; H421-E424 WeakPolarHBondContact O-CG 3.47Å; H421-E424 PolarHBondContact O-N 2.96Å; H421-F425 AromaticContact CD2-CE2 3.95Å; H421-F425 AromaticContact NE2-CE2 3.88Å; H421-F425 AromaticContact NE2-CZ 3.75Å
422G95.5Very high93.3Very high0 Ų054 Ų540%029%0.294CS..Hα-helixtrans-69-17.4-178.500000115.5H418 Y419 H420 E424 F425H418-G422 PolarHBondContact O-N 3.25Å; Y419-G422 PolarHBondContact O-N 3.24Å; H420-G422 PolarHBondContact O-N 2.9Å; G422-E424 PolarHBondContact O-N 3.16Å; G422-F425 PolarHBondContact O-N 3.37Å
423L95.3Very high93Very high22 Ų2258.6 Ų58.612%0.11532%0.316CS..Hα-helixtrans-64.2-27.2173.9-66.4176000111.6Y419 H420 H421 F425 G426 N427 Q435 H474Y419-L423 HydrophobicContact CE1-CD1 4.18Å; Y419-L423 HydrophobicContact CE2-CD2 3.92Å; Y419-L423 HydrophobicContact CE2-CG 4.39Å; Y419-L423 PolarHBondContact O-N 3.29Å; H420-L423 WeakPolarHBondContact O-CB 3.28Å; H420-L423 PolarHBondContact O-N 2.86Å; H420-L423 VanDerWaalsContact O-N 3.14Å; H421-L423 VanDerWaalsContact C-N 3.25Å; H421-L423 PolarHBondContact O-N 3.41Å; L423-F425 PolarHBondContact O-N 2.88Å; L423-G426 PolarHBondContact O-N 3.28Å; L423-G426 VanDerWaalsContact O-N 3.09Å; L423-N427 PolarHBondContact O-N 3.37Å; L423-Q435 HydrophobicContact CD2-CB 4.16Å; L423-Q435 HydrophobicContact CD2-CG 3.92Å; L423-H474 HydrophobicContact CD2-CB 4.15Å
424E94.4Very high92.9Very high124 Ų12460.3 Ų60.358%0.57932%0.318SS*.G310 helixtrans-58.3-34.5178.2-62.4-173.6171.300112.2H421 G422 G426 N427H421-E424 WeakPolarHBondContact O-CB 3.34Å; H421-E424 WeakPolarHBondContact O-CG 3.47Å; H421-E424 PolarHBondContact O-N 2.96Å; G422-E424 PolarHBondContact O-N 3.16Å; E424-G426 VanDerWaalsContact C-N 3.33Å; E424-G426 PolarHBondContact O-N 3.35Å; E424-N427 PolarHBondContact O-ND2 3.25Å
425F93.5Very high92.9Very high52 Ų5259.4 Ų59.423%0.22831%0.313CS..G310 helixtrans-74.9-21.2-179.5-56.7-58000113.7P378 E379 T381 L384 H421 G422 L423 F436P378-F425 WeakPolarHBondContact O-CZ 3.4Å; E379-F425 WeakPolarHBondContact O-CE1 3.44Å; T381-F425 HydrophobicContact CG2-CB 3.77Å; T381-F425 HydrophobicContact CG2-CG 4.18Å; L384-F425 HydrophobicContact CD1-CD2 3.64Å; L384-F425 HydrophobicContact CD1-CE2 3.89Å; H421-F425 AromaticContact CD2-CE2 3.95Å; H421-F425 AromaticContact NE2-CE2 3.88Å; H421-F425 AromaticContact NE2-CZ 3.75Å; G422-F425 PolarHBondContact O-N 3.37Å; L423-F425 PolarHBondContact O-N 2.88Å; F425-F436 HydrophobicContact CB-CD2 4.11Å
426G89.6Confident92.8Very high1 Ų164.1 Ų64.11%0.0133%0.334CS..G310 helixtrans-110.916.9-17600000114.7L423 E424 S428 A429 Q435L423-G426 PolarHBondContact O-N 3.28Å; L423-G426 VanDerWaalsContact O-N 3.09Å; E424-G426 VanDerWaalsContact C-N 3.33Å; E424-G426 PolarHBondContact O-N 3.35Å; G426-S428 PolarHBondContact O-N 3.33Å; G426-S428 VanDerWaalsContact O-N 3.09Å; G426-A429 WeakPolarHBondContact O-CB 3.42Å; G426-A429 PolarHBondContact O-N 3.47Å; G426-Q435 PolarHBondContact O-NE2 3.18Å; G426-Q435 PolarHBondContact O-OE1 3.22Å
427N88.2Confident92.8Very high137 Ų13763 Ų6373%0.73333%0.329SS*.THydrogen-bonded Turntrans-55.3-25.8173.7-78.7-40.1000114.3L423 E424L423-N427 PolarHBondContact O-N 3.37Å; E424-N427 PolarHBondContact O-ND2 3.25Å
428S87Confident92.9Very high114 Ų11461.8 Ų61.880%0.79732%0.319SS*.THydrogen-bonded Turntrans-97.9-0.4178.161.30000114G426G426-S428 PolarHBondContact O-N 3.33Å; G426-S428 VanDerWaalsContact O-N 3.09Å
429A87.6Confident92.9Very high27 Ų2763.5 Ų63.522%0.22333%0.327CS..  trans-66.2143.6-179.200000111.2G426 E433G426-A429 WeakPolarHBondContact O-CB 3.42Å; G426-A429 PolarHBondContact O-N 3.47Å; A429-E433 HydrophobicContact CB-CB 4.34Å
430L89.8Confident93Very high108 Ų10863.5 Ų63.557%0.56533%0.327SS*.  trans-69.2153172-62.8174.8000109.8T432 E433L430-T432 PolarHBondContact O-N 3.28Å; L430-E433 HydrophobicContact CB-CG 4.15Å; L430-E433 PolarHBondContact N-OE2 3.11Å; L430-E433 WeakPolarHBondContact O-CB 3.45Å; L430-E433 PolarHBondContact O-N 3.39Å
431K86.9Confident93.1Very high178 Ų17860.5 Ų60.577%0.77431%0.313SS*.THydrogen-bonded Turntrans-58.7-21.4176.3-65.9-172.8176.4-172.30114S477K431-S477 WeakPolarHBondContact O-CB 3.33Å; K431-S477 PolarHBondContact O-OG 2.85Å
432T89.1Confident93.3Very high108 Ų10858.5 Ų58.566%0.66330%0.304SS*.THydrogen-bonded Turntrans-84.8-13.7176.348.40000113.4L430 S477L430-T432 PolarHBondContact O-N 3.28Å; T432-S477 WeakPolarHBondContact CA-OG 3.46Å
433E90.5Very high93.4Very high102 Ų10258.5 Ų58.548%0.47730%0.304SS..SBendtrans-91.7147.1175.1-66.5170.3169.700109.3A429 L430A429-E433 HydrophobicContact CB-CB 4.34Å; L430-E433 HydrophobicContact CB-CG 4.15Å; L430-E433 PolarHBondContact N-OE2 3.11Å; L430-E433 WeakPolarHBondContact O-CB 3.45Å; L430-E433 PolarHBondContact O-N 3.39Å
434L94.6Very high93.6Very high84 Ų8457.5 Ų57.544%0.4430%0.299SS..PPolyproline II helixtrans-80.5147.9174.6-56.3-175.2000109.3N478L434-N478 HydrophobicContact CD2-CB 3.81Å
435Q95.8Very high93.8Very high28 Ų2851.6 Ų51.613%0.13127%0.271CS..PPolyproline II helixtrans-68.4146.5170.8-65.8-70.9-22.900109.7L423 G426 S437 D438 S475L423-Q435 HydrophobicContact CD2-CB 4.16Å; L423-Q435 HydrophobicContact CD2-CG 3.92Å; G426-Q435 PolarHBondContact O-NE2 3.18Å; G426-Q435 PolarHBondContact O-OE1 3.22Å; Q435-S437 PolarHBondContact O-N 3.39Å; Q435-S437 VanDerWaalsContact O-N 3.16Å; Q435-D438 WeakPolarHBondContact CB-OD1 3.32Å; Q435-D438 PolarHBondContact N-OD2 2.95Å; Q435-D438 PolarHBondContact O-N 2.83Å; Q435-S475 WeakPolarHBondContact CB-OG 3.06Å; Q435-S475 WeakPolarHBondContact CG-OG 3.17Å
436F95.2Very high94Very high100 Ų10049.5 Ų49.544%0.43926%0.262SS..THydrogen-bonded Turntrans-61.1-27.1-179.6-61.7-76.5000112.6T381 L384 F425T381-F436 HydrophobicContact CG2-CD1 4.04Å; T381-F436 HydrophobicContact CG2-CD2 3.85Å; T381-F436 HydrophobicContact CG2-CE1 4.16Å; T381-F436 HydrophobicContact CG2-CE2 3.97Å; T381-F436 HydrophobicContact CG2-CG 3.89Å; T381-F436 HydrophobicContact CG2-CZ 4.13Å; L384-F436 HydrophobicContact CD2-CB 4.39Å; L384-F436 WeakPolarHBondContact CD2-O 3.41Å; F425-F436 HydrophobicContact CB-CD2 4.11Å
437S96.8Very high94.4Very high0 Ų049.4 Ų49.40%026%0.262CS..THydrogen-bonded Turntrans-98.40.9-17661.30000115Y419 Q435 M439 Y440Y419-S437 WeakPolarHBondContact O-CB 3.49Å; Y419-S437 PolarHBondContact O-OG 3.32Å; Q435-S437 PolarHBondContact O-N 3.39Å; Q435-S437 VanDerWaalsContact O-N 3.16Å; S437-M439 PolarHBondContact O-N 3.27Å; S437-Y440 WeakPolarHBondContact O-CB 3.35Å; S437-Y440 PolarHBondContact O-N 3.49Å
438D97.6Very high94.8Very high2 Ų243.7 Ų43.71%0.01123%0.23CC..Hα-helixtrans-52-36.3-176.1-87.2-9.3000113.7Q435 Y440 C441 L442 S475 N478 F481Q435-D438 WeakPolarHBondContact CB-OD1 3.32Å; Q435-D438 PolarHBondContact N-OD2 2.95Å; Q435-D438 PolarHBondContact O-N 2.83Å; D438-Y440 VanDerWaalsContact C-N 3.26Å; D438-Y440 PolarHBondContact O-N 3.44Å; D438-C441 WeakPolarHBondContact O-CB 3.33Å; D438-C441 PolarHBondContact O-N 3.02Å; D438-L442 PolarHBondContact O-N 3.18Å; D438-L442 VanDerWaalsContact O-N 3.08Å; D438-S475 VanDerWaalsContact OD1-CB 3.3Å; D438-S475 WeakPolarHBondContact OD1-CB 3.44Å; D438-S475 PolarHBondContact OD1-OG 3.44Å; D438-S475 WeakPolarHBondContact OD2-CB 3.45Å; D438-S475 PolarHBondContact OD2-OG 3.01Å; D438-S475 VanDerWaalsContact OD2-OG 3.04Å; D438-N478 WeakPolarHBondContact CB-ND2 3.32Å; D438-N478 VanDerWaalsContact CG-ND2 3.33Å; D438-N478 PolarHBondContact OD2-ND2 3.24Å; D438-F481 HydrophobicContact CB-CE2 4.3Å; D438-F481 HydrophobicContact CB-CZ 3.83Å; D438-F481 WeakPolarHBondContact O-CZ 3.49Å
439M97.3Very high95.3Very high40 Ų4038.8 Ų38.820%0.19720%0.195CC..Hα-helixtrans-69.8-22.5-178.3-64.8-65132.200112.9L388 S437 L442 M443 W637L388-M439 HydrophobicContact CD1-CB 3.68Å; L388-M439 HydrophobicContact CD2-CB 3.59Å; L388-M439 HydrophobicContact CD2-CG 4.16Å; L388-M439 HydrophobicContact CG-CB 4.16Å; S437-M439 PolarHBondContact O-N 3.27Å; M439-L442 PolarHBondContact O-N 2.96Å; M439-L442 HydrophobicContact SD-CD2 4.18Å; M439-M443 WeakPolarHBondContact O-CB 3.47Å; M439-M443 VanDerWaalsContact O-CG 3.23Å; M439-M443 WeakPolarHBondContact O-CG 3.46Å; M439-M443 PolarHBondContact O-N 3.45Å; M439-W637 HydrophobicContact CB-CH2 4.4Å; M439-W637 HydrophobicContact SD-CH2 3.64Å; M439-W637 HydrophobicContact SD-CZ2 3.71Å
440Y98.4Very high95.7Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-65.6-43.8169.6-74.2-63.1000111.4L384 H387 L388 L415 H418 S437 D438 L442 M443 A444L384-Y440 HydrophobicContact CD2-CE2 3.93Å; L384-Y440 HydrophobicContact CG-CE2 4.02Å; L384-Y440 PolarHBondContact O-OH 3.34Å; H387-Y440 VanDerWaalsContact CB-OH 3.32Å; H387-Y440 WeakPolarHBondContact CB-OH 3.23Å; H387-Y440 AromaticContact ND1-CE1 3.86Å; H387-Y440 AromaticContact ND1-CZ 3.63Å; H387-Y440 PolarHBondContact ND1-OH 2.91Å; L388-Y440 WeakPolarHBondContact CA-OH 3.44Å; L388-Y440 HydrophobicContact CB-CE1 4.24Å; L388-Y440 HydrophobicContact CB-CE2 4.17Å; L388-Y440 HydrophobicContact CD1-CD1 3.85Å; L388-Y440 HydrophobicContact CD1-CD2 4.31Å; L388-Y440 HydrophobicContact CD1-CE1 3.85Å; L388-Y440 HydrophobicContact CD1-CE2 4.31Å; L388-Y440 HydrophobicContact CD1-CG 4.08Å; L388-Y440 PolarHBondContact N-OH 3.37Å; L415-Y440 HydrophobicContact CD2-CD1 3.68Å; L415-Y440 HydrophobicContact CD2-CE1 4.26Å; H418-Y440 HydrophobicContact CB-CD1 4.05Å; H418-Y440 HydrophobicContact CB-CD2 4Å; H418-Y440 HydrophobicContact CB-CE1 4.04Å; H418-Y440 HydrophobicContact CB-CE2 4Å; H418-Y440 HydrophobicContact CB-CG 4.04Å; S437-Y440 WeakPolarHBondContact O-CB 3.35Å; S437-Y440 PolarHBondContact O-N 3.49Å; D438-Y440 VanDerWaalsContact C-N 3.26Å; D438-Y440 PolarHBondContact O-N 3.44Å; Y440-L442 PolarHBondContact O-N 2.92Å; Y440-M443 PolarHBondContact O-N 2.9Å; Y440-A444 WeakPolarHBondContact O-CB 3.45Å; Y440-A444 PolarHBondContact O-N 2.89Å
441C98.3Very high96Very high0 Ų033.1 Ų33.10%016%0.161CC..Hα-helixtrans-59.2-46.8174.3169.60000110.8Y419 D438 M443 A444 A445 F481Y419-C441 HydrophobicContact CD1-CB 4.39Å; Y419-C441 HydrophobicContact CD2-CB 3.64Å; Y419-C441 HydrophobicContact CE2-CB 3.87Å; Y419-C441 HydrophobicContact CG-CB 3.93Å; D438-C441 WeakPolarHBondContact O-CB 3.33Å; D438-C441 PolarHBondContact O-N 3.02Å; C441-M443 VanDerWaalsContact C-N 3.34Å; C441-M443 PolarHBondContact O-N 3.29Å; C441-A444 PolarHBondContact O-N 3.28Å; C441-A445 WeakPolarHBondContact O-CB 3.37Å; C441-A445 PolarHBondContact O-N 3.12Å; C441-F481 HydrophobicContact CB-CE1 4.09Å; C441-F481 HydrophobicContact CB-CZ 3.82Å
442L98.3Very high96.5Very high2 Ų226.7 Ų26.71%0.0113%0.132CC..Hα-helixtrans-62.8-39.6177.4-170.156.8000112.6D438 M439 Y440 A445 H446 Q480 F481 L484 W637D438-L442 PolarHBondContact O-N 3.18Å; D438-L442 VanDerWaalsContact O-N 3.08Å; M439-L442 PolarHBondContact O-N 2.96Å; M439-L442 HydrophobicContact SD-CD2 4.18Å; Y440-L442 PolarHBondContact O-N 2.92Å; L442-A445 WeakPolarHBondContact O-CB 3.28Å; L442-A445 PolarHBondContact O-N 3.45Å; L442-H446 PolarHBondContact O-CD2 2.71Å; L442-H446 PolarHBondContact O-N 3.35Å; L442-Q480 HydrophobicContact CD2-CB 3.82Å; L442-Q480 HydrophobicContact CD2-CG 4.36Å; L442-F481 HydrophobicContact CB-CE1 4.08Å; L442-L484 HydrophobicContact CD1-CD2 3.62Å; L442-W637 HydrophobicContact CB-CH2 4.26Å; L442-W637 HydrophobicContact CB-CZ3 4.36Å; L442-W637 HydrophobicContact CD2-CH2 3.76Å; L442-W637 HydrophobicContact CD2-CZ3 4.08Å; L442-W637 HydrophobicContact CG-CH2 4.08Å; L442-W637 HydrophobicContact CG-CZ3 4Å
443M98.2Very high96.7Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-64.7-44175.7-77.8-171.571.300112.4L388 C391 Q392 R395 L415 M439 Y440 C441 A445 H446 V447 W637L388-M443 HydrophobicContact CD1-SD 4.1Å; C391-M443 HydrophobicContact CB-CE 3.66Å; C391-M443 HydrophobicContact CB-SD 3.87Å; C391-M443 VanDerWaalsContact O-CE 3.24Å; C391-M443 WeakPolarHBondContact O-CE 3.39Å; Q392-M443 HydrophobicContact CG-SD 3.61Å; R395-M443 HydrophobicContact CB-CE 4.3Å; L415-M443 HydrophobicContact CD1-CB 4.02Å; L415-M443 HydrophobicContact CD2-CB 4.36Å; M439-M443 WeakPolarHBondContact O-CB 3.47Å; M439-M443 VanDerWaalsContact O-CG 3.23Å; M439-M443 WeakPolarHBondContact O-CG 3.46Å; M439-M443 PolarHBondContact O-N 3.45Å; Y440-M443 PolarHBondContact O-N 2.9Å; C441-M443 VanDerWaalsContact C-N 3.34Å; C441-M443 PolarHBondContact O-N 3.29Å; M443-A445 VanDerWaalsContact C-N 3.32Å; M443-A445 PolarHBondContact O-N 3.09Å; M443-H446 PolarHBondContact O-N 3.41Å; M443-V447 WeakPolarHBondContact O-CG2 3.44Å; M443-V447 PolarHBondContact O-N 2.55Å; M443-V447 VanDerWaalsContact O-N 3.09Å; M443-W637 HydrophobicContact CG-CE3 3.94Å; M443-W637 HydrophobicContact CG-CH2 4.16Å; M443-W637 HydrophobicContact CG-CZ3 3.61Å
444A98.3Very high96.8Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-62-41.7175.700000111.2L415 K416 Y440 C441 H446 V447 Y448 L467L415-A444 HydrophobicContact CB-CB 3.91Å; L415-A444 HydrophobicContact CD1-CB 4.24Å; K416-A444 HydrophobicContact CG-CB 4.4Å; Y440-A444 WeakPolarHBondContact O-CB 3.45Å; Y440-A444 PolarHBondContact O-N 2.89Å; C441-A444 PolarHBondContact O-N 3.28Å; A444-H446 VanDerWaalsContact C-N 3.32Å; A444-H446 PolarHBondContact O-N 2.72Å; A444-V447 PolarHBondContact O-N 3.35Å; A444-V447 VanDerWaalsContact O-N 3.12Å; A444-Y448 WeakPolarHBondContact O-CD2 3.34Å; A444-Y448 PolarHBondContact O-N 3.37Å; A444-L467 HydrophobicContact CB-CD2 3.63Å
445A98.3Very high96.8Very high0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-57.6-42.3173.500000112.4C441 L442 M443 V447 Y448 I449 C464 L468 L484C441-A445 WeakPolarHBondContact O-CB 3.37Å; C441-A445 PolarHBondContact O-N 3.12Å; L442-A445 WeakPolarHBondContact O-CB 3.28Å; L442-A445 PolarHBondContact O-N 3.45Å; M443-A445 VanDerWaalsContact C-N 3.32Å; M443-A445 PolarHBondContact O-N 3.09Å; A445-V447 PolarHBondContact O-N 2.92Å; A445-Y448 PolarHBondContact O-N 2.81Å; A445-I449 VanDerWaalsContact O-CG1 3.3Å; A445-I449 WeakPolarHBondContact O-CG1 3.27Å; A445-I449 PolarHBondContact O-N 3.38Å; A445-C464 VanDerWaalsContact CB-SG 3.58Å; A445-C464 PolarHBondContact O-SG 2.7Å; A445-L468 HydrophobicContact CB-CD1 4.27Å; A445-L468 HydrophobicContact CB-CD2 3.85Å; A445-L468 HydrophobicContact CB-CG 4.05Å; A445-L484 HydrophobicContact CB-CD2 4Å
446H98Very high96.5Very high8 Ų825.5 Ų25.54%0.03714%0.141CC..Hα-helixtrans-64.2-38.1174.8-68.3179.4000112.8L442 M443 A444 I449 D450 T635 W637L442-H446 PolarHBondContact O-CD2 2.71Å; L442-H446 PolarHBondContact O-N 3.35Å; M443-H446 PolarHBondContact O-N 3.41Å; A444-H446 VanDerWaalsContact C-N 3.32Å; A444-H446 PolarHBondContact O-N 2.72Å; H446-I449 WeakPolarHBondContact O-CB 3Å; H446-I449 PolarHBondContact O-N 2.92Å; H446-D450 PolarHBondContact O-N 2.82Å; H446-T635 PolarHBondContact CE1-O 2.95Å; H446-W637 AromaticContact CE1-CE3 3.96Å; H446-W637 AromaticContact CE1-CZ3 3.85Å; H446-W637 AromaticContact ND1-CE3 3.82Å; H446-W637 AromaticContact ND1-CZ3 3.93Å
447V98.1Very high96.3Very high0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-69.9-36.7176.9-176.30000111.4K408 L411 I412 L415 M443 A444 A445 I449 D450 L451K408-V447 HydrophobicContact CB-CG1 3.83Å; K408-V447 HydrophobicContact CD-CG1 4.47Å; K408-V447 HydrophobicContact CG-CG1 4.13Å; L411-V447 HydrophobicContact CD2-CG2 3.97Å; I412-V447 HydrophobicContact CD1-CB 4.16Å; I412-V447 HydrophobicContact CD1-CG1 3.77Å; I412-V447 HydrophobicContact CG1-CB 3.81Å; I412-V447 HydrophobicContact CG1-CG1 3.67Å; L415-V447 HydrophobicContact CD1-CG2 4.4Å; M443-V447 WeakPolarHBondContact O-CG2 3.44Å; M443-V447 PolarHBondContact O-N 2.55Å; M443-V447 VanDerWaalsContact O-N 3.09Å; A444-V447 PolarHBondContact O-N 3.35Å; A444-V447 VanDerWaalsContact O-N 3.12Å; A445-V447 PolarHBondContact O-N 2.92Å; V447-I449 VanDerWaalsContact C-N 3.31Å; V447-I449 PolarHBondContact O-N 2.97Å; V447-D450 PolarHBondContact O-N 3.05Å; V447-L451 PolarHBondContact O-N 3Å
448Y97.7Very high95.9Very high16 Ų1624.5 Ų24.56%0.06314%0.139CC..Hα-helixtrans-60.3-42.2170.2-84.1-63.3000112I412 A444 A445 L451 W452 M460 Q463 C464 L467I412-Y448 HydrophobicContact CD1-CD1 3.73Å; I412-Y448 HydrophobicContact CD1-CD2 4.26Å; I412-Y448 HydrophobicContact CD1-CE1 3.88Å; I412-Y448 HydrophobicContact CD1-CE2 4.4Å; I412-Y448 HydrophobicContact CD1-CG 3.93Å; I412-Y448 HydrophobicContact CG1-CD2 4.49Å; I412-Y448 HydrophobicContact CG1-CE2 4.49Å; I412-Y448 HydrophobicContact CG2-CD2 4.26Å; I412-Y448 HydrophobicContact CG2-CE1 4.06Å; I412-Y448 HydrophobicContact CG2-CE2 3.48Å; I412-Y448 VanDerWaalsContact CG2-CE2 3.48Å; I412-Y448 WeakPolarHBondContact CG2-OH 3.23Å; A444-Y448 WeakPolarHBondContact O-CD2 3.34Å; A444-Y448 PolarHBondContact O-N 3.37Å; A445-Y448 PolarHBondContact O-N 2.81Å; Y448-L451 PolarHBondContact O-N 2.93Å; Y448-W452 WeakPolarHBondContact O-CB 3.45Å; Y448-W452 PolarHBondContact O-N 3.34Å; Y448-M460 HydrophobicContact CD1-CB 4.31Å; Y448-M460 HydrophobicContact CD1-SD 4Å; Y448-M460 HydrophobicContact CE1-SD 4.24Å; Y448-Q463 HydrophobicContact CD1-CB 4.18Å; Y448-Q463 HydrophobicContact CE1-CB 3.62Å; Y448-Q463 HydrophobicContact CE1-CG 4.38Å; Y448-Q463 HydrophobicContact CE2-CB 4.41Å; Y448-C464 HydrophobicContact CD2-CB 4.35Å; Y448-C464 HydrophobicContact CG-CB 4.2Å; Y448-L467 HydrophobicContact CD2-CD2 4.32Å; Y448-L467 HydrophobicContact CE2-CD2 4.11Å
449I97.1Very high95.6Very high11 Ų1126 Ų266%0.05615%0.147CC..Hα-helixtrans-62.2-44175.2-74.8164.8000111A445 H446 V447 L451 W452 T453 L484 L488 L726A445-I449 VanDerWaalsContact O-CG1 3.3Å; A445-I449 WeakPolarHBondContact O-CG1 3.27Å; A445-I449 PolarHBondContact O-N 3.38Å; H446-I449 WeakPolarHBondContact O-CB 3Å; H446-I449 PolarHBondContact O-N 2.92Å; V447-I449 VanDerWaalsContact C-N 3.31Å; V447-I449 PolarHBondContact O-N 2.97Å; I449-L451 VanDerWaalsContact C-N 3.32Å; I449-L451 PolarHBondContact O-N 3.15Å; I449-W452 PolarHBondContact O-N 3.35Å; I449-T453 HydrophobicContact CG2-CG2 4.33Å; I449-T453 WeakPolarHBondContact O-CG2 3.4Å; I449-T453 PolarHBondContact O-N 3.06Å; I449-T453 PolarHBondContact O-OG1 3.47Å; I449-L484 HydrophobicContact CD1-CD1 3.86Å; I449-L484 HydrophobicContact CD1-CD2 4.1Å; I449-L484 HydrophobicContact CD1-CG 4.35Å; I449-L488 HydrophobicContact CD1-CD1 4.44Å; I449-L488 HydrophobicContact CD1-CD2 4.13Å; I449-L488 HydrophobicContact CG1-CD2 4.16Å; I449-L726 HydrophobicContact CB-CD2 4.39Å; I449-L726 HydrophobicContact CD1-CD2 4.09Å; I449-L726 HydrophobicContact CG1-CD2 4.21Å; I449-L726 HydrophobicContact CG2-CD2 3.32Å
450D96.2Very high95.4Very high13 Ų1325.6 Ų25.67%0.0715%0.145CC..Hα-helixtrans-58-47.6176.3-64.2-33.7000110.1R395 H401 H446 V447 T453 E454R395-D450 IonicContact CZ-OD2 3.24Å; R395-D450 VanDerWaalsContact CZ-OD2 3.31Å; R395-D450 IonicContact NH1-OD2 3.6Å; R395-D450 PolarHBondContact NH1-OD2 2.93Å; R395-D450 IonicContact NH2-OD1 3.56Å; R395-D450 PolarHBondContact NH2-OD1 3.34Å; R395-D450 IonicContact NH2-OD2 2.68Å; R395-D450 PolarHBondContact NH2-OD2 3.14Å; H401-D450 IonicContact NE2-OD1 3.32Å; H401-D450 IonicContact NE2-OD2 3.89Å; H446-D450 PolarHBondContact O-N 2.82Å; V447-D450 PolarHBondContact O-N 3.05Å; D450-T453 PolarHBondContact O-N 2.89Å; D450-T453 PolarHBondContact O-OG1 3.32Å; D450-E454 WeakPolarHBondContact O-CB 3.47Å; D450-E454 VanDerWaalsContact O-CG 3.24Å; D450-E454 WeakPolarHBondContact O-CG 3.28Å; D450-E454 PolarHBondContact O-N 3.22Å
451L96.6Very high95.3Very high3 Ų325.6 Ų25.62%0.01615%0.145CC..Hα-helixtrans-60.6-46.9176.1-76.2174.8000112.3V405 K408 L409 I412 V447 Y448 I449 T453 E454 T455 M460V405-L451 HydrophobicContact CB-CD2 4.45Å; V405-L451 HydrophobicContact CG1-CD2 4.15Å; V405-L451 HydrophobicContact CG2-CD2 4.38Å; K408-L451 HydrophobicContact CB-CD1 4.04Å; K408-L451 HydrophobicContact CB-CD2 3.9Å; K408-L451 HydrophobicContact CB-CG 4.02Å; K408-L451 HydrophobicContact CD-CD2 3.72Å; K408-L451 HydrophobicContact CD-CG 4.04Å; K408-L451 HydrophobicContact CG-CD2 4.43Å; L409-L451 HydrophobicContact CD2-CD1 3.81Å; L409-L451 HydrophobicContact CG-CD1 4.15Å; I412-L451 HydrophobicContact CD1-CD1 3.66Å; V447-L451 PolarHBondContact O-N 3Å; Y448-L451 PolarHBondContact O-N 2.93Å; I449-L451 VanDerWaalsContact C-N 3.32Å; I449-L451 PolarHBondContact O-N 3.15Å; L451-T453 VanDerWaalsContact C-N 3.34Å; L451-T453 PolarHBondContact O-N 3.26Å; L451-E454 PolarHBondContact O-N 2.96Å; L451-T455 WeakPolarHBondContact O-CB 3.39Å; L451-T455 WeakPolarHBondContact O-CG2 3.49Å; L451-T455 PolarHBondContact O-N 3.04Å; L451-T455 PolarHBondContact O-OG1 3.24Å; L451-M460 HydrophobicContact CB-CB 4.46Å; L451-M460 HydrophobicContact CB-CG 3.94Å; L451-M460 HydrophobicContact CB-SD 4.21Å; L451-M460 HydrophobicContact CD1-SD 3.93Å
452W95.7Very high95.1Very high44 Ų4425.7 Ų25.717%0.16715%0.146CC..Hα-helixtrans-58.5-45.7178172.247.5000111.9Y448 I449 G456 M460 V461 L488 R491 L726Y448-W452 WeakPolarHBondContact O-CB 3.45Å; Y448-W452 PolarHBondContact O-N 3.34Å; I449-W452 PolarHBondContact O-N 3.35Å; W452-G456 WeakPolarHBondContact O-CA 3.5Å; W452-G456 PolarHBondContact O-N 3.46Å; W452-M460 HydrophobicContact CB-CB 3.95Å; W452-V461 HydrophobicContact CD2-CB 3.99Å; W452-V461 HydrophobicContact CD2-CG1 4.4Å; W452-V461 HydrophobicContact CE3-CB 4.35Å; W452-V461 HydrophobicContact CE3-CG2 4.43Å; W452-V461 HydrophobicContact CG-CB 4.12Å; W452-V461 HydrophobicContact CG-CG1 4.47Å; W452-L488 HydrophobicContact CZ3-CD2 4.25Å; W452-R491 HydrophobicContact CH2-CB 4.15Å; W452-L726 HydrophobicContact CZ3-CD1 4.34Å; W452-L726 HydrophobicContact CZ3-CD2 4.34Å
453T93.4Very high94.9Very high80 Ų8026.5 Ų26.549%0.49115%0.149SC..Hα-helixtrans-71-32.2-178.656.70000113.1I449 D450 L451I449-T453 HydrophobicContact CG2-CG2 4.33Å; I449-T453 WeakPolarHBondContact O-CG2 3.4Å; I449-T453 PolarHBondContact O-N 3.06Å; I449-T453 PolarHBondContact O-OG1 3.47Å; D450-T453 PolarHBondContact O-N 2.89Å; D450-T453 PolarHBondContact O-OG1 3.32Å; L451-T453 VanDerWaalsContact C-N 3.34Å; L451-T453 PolarHBondContact O-N 3.26Å
454E93.4Very high94.8Very high93 Ų9326.5 Ų26.544%0.43515%0.149SC..Hα-helixtrans-82.4-37.6-179.9-71.3172.2-171.800113.2K408 D450 L451K408-E454 IonicContact NZ-OE1 2.58Å; K408-E454 PolarHBondContact NZ-OE1 3.06Å; K408-E454 IonicContact NZ-OE2 3.98Å; K408-E454 PolarHBondContact NZ-OE2 3.44Å; D450-E454 WeakPolarHBondContact O-CB 3.47Å; D450-E454 VanDerWaalsContact O-CG 3.24Å; D450-E454 WeakPolarHBondContact O-CG 3.28Å; D450-E454 PolarHBondContact O-N 3.22Å; L451-E454 PolarHBondContact O-N 2.96Å
455T93.4Very high94.8Very high74 Ų7426.5 Ų26.545%0.45415%0.149SC..Hα-helixtrans-100.5-23.9-175.671.40000113.5V405 L451 D457V405-T455 HydrophobicContact CG2-CG2 4.35Å; L451-T455 WeakPolarHBondContact O-CB 3.39Å; L451-T455 WeakPolarHBondContact O-CG2 3.49Å; L451-T455 PolarHBondContact O-N 3.04Å; L451-T455 PolarHBondContact O-OG1 3.24Å; T455-D457 VanDerWaalsContact C-N 3.25Å; T455-D457 PolarHBondContact O-N 3.37Å; T455-D457 WeakPolarHBondContact OG1-CB 3.05Å; T455-D457 PolarHBondContact OG1-N 2.95Å; T455-D457 VanDerWaalsContact OG1-N 3.13Å
456G90.4Very high94.7Very high50 Ų5026.6 Ų26.652%0.51515%0.15SC..  trans73.810.2-170.800000114.5W452 E458W452-G456 WeakPolarHBondContact O-CA 3.5Å; W452-G456 PolarHBondContact O-N 3.46Å; G456-E458 PolarHBondContact O-N 2.74Å
457D90.4Very high94.7Very high49 Ų4926.5 Ų26.526%0.26215%0.15SC..  trans-77.8108.1179.3-167.86.3000111.2T455 D459 M460 K803T455-D457 VanDerWaalsContact C-N 3.25Å; T455-D457 PolarHBondContact O-N 3.37Å; T455-D457 WeakPolarHBondContact OG1-CB 3.05Å; T455-D457 PolarHBondContact OG1-N 2.95Å; T455-D457 VanDerWaalsContact OG1-N 3.13Å; D457-D459 PolarHBondContact O-N 2.9Å; D457-D459 PolarHBondContact OD1-N 3.35Å; D457-M460 HydrophobicContact CB-CG 4.3Å; D457-M460 WeakPolarHBondContact O-CB 3.28Å; D457-M460 PolarHBondContact O-N 3.2Å; D457-K803 IonicContact OD1-NZ 3.8Å; D457-K803 PolarHBondContact OD1-NZ 2.89Å; D457-K803 IonicContact OD2-NZ 3.84Å; D457-K803 PolarHBondContact OD2-NZ 2.9Å
458E89.8Confident94.7Very high29 Ų2926.5 Ų26.514%0.13615%0.15CC..Hα-helixtrans-67-18.3-178.1-74-172.1-147.400113.2G456 M460 V461 W462 K805 T806G456-E458 PolarHBondContact O-N 2.74Å; E458-M460 PolarHBondContact O-N 2.97Å; E458-V461 HydrophobicContact CB-CG1 4.31Å; E458-V461 WeakPolarHBondContact O-CG1 3.23Å; E458-V461 PolarHBondContact O-N 3.41Å; E458-V461 VanDerWaalsContact O-N 3.13Å; E458-W462 PolarHBondContact O-N 3.38Å; E458-W462 VanDerWaalsContact O-N 3.16Å; E458-K805 VanDerWaalsContact CD-CG 3.44Å; E458-K805 VanDerWaalsContact OE1-CE 3.25Å; E458-K805 WeakPolarHBondContact OE1-CE 3.3Å; E458-K805 WeakPolarHBondContact OE1-CG 3.3Å; E458-K805 VanDerWaalsContact OE2-CA 3.26Å; E458-K805 WeakPolarHBondContact OE2-CA 3.3Å; E458-T806 PolarHBondContact OE2-N 3.39Å
459D89.9Confident94.6Very high35 Ų3526.9 Ų26.919%0.18715%0.153CC..Hα-helixtrans-58.3-34172.8-71.2-14000111.5D457 V461 W462 Q463 K803D457-D459 PolarHBondContact O-N 2.9Å; D457-D459 PolarHBondContact OD1-N 3.35Å; D459-V461 VanDerWaalsContact C-N 3.34Å; D459-V461 PolarHBondContact O-N 3.39Å; D459-W462 PolarHBondContact O-N 3Å; D459-Q463 VanDerWaalsContact O-CG 3.3Å; D459-Q463 WeakPolarHBondContact O-CG 3.27Å; D459-Q463 PolarHBondContact O-N 2.89Å; D459-K803 VanDerWaalsContact OD2-CD 3.29Å; D459-K803 WeakPolarHBondContact OD2-CD 3.43Å; D459-K803 WeakPolarHBondContact OD2-CE 3.25Å; D459-K803 WeakPolarHBondContact OD2-CG 3.23Å; D459-K803 IonicContact OD2-NZ 3.81Å; D459-K803 PolarHBondContact OD2-NZ 3.47Å
460M94Very high94.6Very high30 Ų3026.6 Ų26.615%0.14815%0.151CC..Hα-helixtrans-63.8-38.2178.8-61.6-60.310600112.2L409 Y448 L451 W452 D457 E458 C464L409-M460 HydrophobicContact CD2-SD 4.27Å; Y448-M460 HydrophobicContact CD1-CB 4.31Å; Y448-M460 HydrophobicContact CD1-SD 4Å; Y448-M460 HydrophobicContact CE1-SD 4.24Å; L451-M460 HydrophobicContact CB-CB 4.46Å; L451-M460 HydrophobicContact CB-CG 3.94Å; L451-M460 HydrophobicContact CB-SD 4.21Å; L451-M460 HydrophobicContact CD1-SD 3.93Å; W452-M460 HydrophobicContact CB-CB 3.95Å; D457-M460 HydrophobicContact CB-CG 4.3Å; D457-M460 WeakPolarHBondContact O-CB 3.28Å; D457-M460 PolarHBondContact O-N 3.2Å; E458-M460 PolarHBondContact O-N 2.97Å; M460-C464 WeakPolarHBondContact O-CB 3.41Å; M460-C464 PolarHBondContact O-N 2.79Å
461V95.2Very high94.6Very high1 Ų126 Ų261%0.00615%0.147CC..Hα-helixtrans-74.7-33.1177.364.20000111.7W452 E458 D459 C464 L465 L488 L492W452-V461 HydrophobicContact CD2-CB 3.99Å; W452-V461 HydrophobicContact CD2-CG1 4.4Å; W452-V461 HydrophobicContact CE3-CB 4.35Å; W452-V461 HydrophobicContact CE3-CG2 4.43Å; W452-V461 HydrophobicContact CG-CB 4.12Å; W452-V461 HydrophobicContact CG-CG1 4.47Å; E458-V461 HydrophobicContact CB-CG1 4.31Å; E458-V461 WeakPolarHBondContact O-CG1 3.23Å; E458-V461 PolarHBondContact O-N 3.41Å; E458-V461 VanDerWaalsContact O-N 3.13Å; D459-V461 VanDerWaalsContact C-N 3.34Å; D459-V461 PolarHBondContact O-N 3.39Å; V461-C464 WeakPolarHBondContact O-CB 3.42Å; V461-C464 PolarHBondContact O-N 3.3Å; V461-L465 WeakPolarHBondContact O-CG 3.39Å; V461-L465 PolarHBondContact O-N 3.37Å; V461-L488 HydrophobicContact CG2-CD2 4.13Å; V461-L492 HydrophobicContact CG1-CD2 4.05Å; V461-L492 HydrophobicContact CG2-CD1 4.22Å
462W94.3Very high94.6Very high1 Ų127 Ų270%0.00415%0.153CC..Hα-helixtrans-63.3-44.7172.5-65.9124000112.4E458 D459 C464 L465 G466 L492 L804 T806 T909 M913 V916E458-W462 PolarHBondContact O-N 3.38Å; E458-W462 VanDerWaalsContact O-N 3.16Å; D459-W462 PolarHBondContact O-N 3Å; W462-C464 VanDerWaalsContact C-N 3.32Å; W462-C464 PolarHBondContact O-N 3.34Å; W462-L465 HydrophobicContact CE3-CD1 3.85Å; W462-L465 HydrophobicContact CZ3-CD1 3.91Å; W462-L465 PolarHBondContact O-N 3.06Å; W462-G466 PolarHBondContact O-N 3.39Å; W462-L492 HydrophobicContact CE3-CD1 4.47Å; W462-L492 HydrophobicContact CH2-CD1 4.06Å; W462-L492 HydrophobicContact CZ3-CD1 3.98Å; W462-L804 HydrophobicContact CH2-CD2 3.89Å; W462-L804 HydrophobicContact CZ2-CB 4.35Å; W462-L804 HydrophobicContact CZ2-CD2 3.54Å; W462-L804 HydrophobicContact CZ2-CG 3.83Å; W462-L804 PolarHBondContact NE1-O 3.06Å; W462-T806 HydrophobicContact CH2-CG2 3.99Å; W462-T806 HydrophobicContact CZ2-CG2 3.71Å; W462-T909 HydrophobicContact CB-CG2 3.96Å; W462-M913 HydrophobicContact CB-CE 3.76Å; W462-M913 HydrophobicContact CD2-CE 3.77Å; W462-M913 HydrophobicContact CD2-CG 3.99Å; W462-M913 HydrophobicContact CE3-CE 4.32Å; W462-M913 HydrophobicContact CE3-CG 3.62Å; W462-M913 HydrophobicContact CG-CE 3.47Å; W462-M913 VanDerWaalsContact CG-CE 3.47Å; W462-M913 HydrophobicContact CH2-CG 4.4Å; W462-M913 HydrophobicContact CZ3-CB 4.44Å; W462-M913 HydrophobicContact CZ3-CG 3.86Å; W462-V916 HydrophobicContact CH2-CB 4Å; W462-V916 HydrophobicContact CH2-CG1 4.03Å; W462-V916 HydrophobicContact CH2-CG2 3.83Å; W462-V916 HydrophobicContact CZ3-CB 4.26Å; W462-V916 HydrophobicContact CZ3-CG2 3.75Å
463Q94.6Very high94.5Very high20 Ų2028.2 Ų28.29%0.09317%0.168CC..Hα-helixtrans-63.8-39174.7-64.9-55.8-27.200112.1Y448 D459 G466 L467 C901Y448-Q463 HydrophobicContact CD1-CB 4.18Å; Y448-Q463 HydrophobicContact CE1-CB 3.62Å; Y448-Q463 HydrophobicContact CE1-CG 4.38Å; Y448-Q463 HydrophobicContact CE2-CB 4.41Å; D459-Q463 VanDerWaalsContact O-CG 3.3Å; D459-Q463 WeakPolarHBondContact O-CG 3.27Å; D459-Q463 PolarHBondContact O-N 2.89Å; Q463-G466 PolarHBondContact O-N 3.43Å; Q463-L467 WeakPolarHBondContact O-CB 3.4Å; Q463-L467 PolarHBondContact O-N 2.93Å; Q463-C901 PolarHBondContact NE2-SG 3.35Å; Q463-C901 PolarHBondContact OE1-SG 3.09Å
464C97Very high94.6Very high0 Ų028.3 Ų28.30%016%0.163CC..Hα-helixtrans-60.2-46.1173.9-171.90000112.1A445 Y448 M460 V461 W462 L467 L468 L488A445-C464 VanDerWaalsContact CB-SG 3.58Å; A445-C464 PolarHBondContact O-SG 2.7Å; Y448-C464 HydrophobicContact CD2-CB 4.35Å; Y448-C464 HydrophobicContact CG-CB 4.2Å; M460-C464 WeakPolarHBondContact O-CB 3.41Å; M460-C464 PolarHBondContact O-N 2.79Å; V461-C464 WeakPolarHBondContact O-CB 3.42Å; V461-C464 PolarHBondContact O-N 3.3Å; W462-C464 VanDerWaalsContact C-N 3.32Å; W462-C464 PolarHBondContact O-N 3.34Å; C464-L467 PolarHBondContact O-N 3.01Å; C464-L468 WeakPolarHBondContact O-CB 3.2Å; C464-L468 WeakPolarHBondContact O-CG 3.5Å; C464-L468 PolarHBondContact O-N 3.42Å; C464-L488 HydrophobicContact CB-CD1 4.48Å
465L97.3Very high94.6Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-61.3-44.7175.7-74.2178000111.8V461 W462 L467 L468 E469 L485 L488 Y489 L492 A912V461-L465 WeakPolarHBondContact O-CG 3.39Å; V461-L465 PolarHBondContact O-N 3.37Å; W462-L465 HydrophobicContact CE3-CD1 3.85Å; W462-L465 HydrophobicContact CZ3-CD1 3.91Å; W462-L465 PolarHBondContact O-N 3.06Å; L465-L467 PolarHBondContact O-N 3.43Å; L465-L468 PolarHBondContact O-N 2.78Å; L465-E469 WeakPolarHBondContact O-CB 3.46Å; L465-E469 VanDerWaalsContact O-CG 3.29Å; L465-E469 WeakPolarHBondContact O-CG 3.48Å; L465-E469 PolarHBondContact O-N 3.32Å; L465-L485 HydrophobicContact CD2-CD2 3.65Å; L465-L488 HydrophobicContact CD2-CB 3.74Å; L465-L488 HydrophobicContact CD2-CD1 4.1Å; L465-Y489 HydrophobicContact CD1-CD1 4.21Å; L465-Y489 HydrophobicContact CD1-CE1 3.82Å; L465-Y489 HydrophobicContact CD2-CD1 4.3Å; L465-Y489 HydrophobicContact CD2-CE1 4.06Å; L465-Y489 HydrophobicContact CD2-CE2 4.43Å; L465-L492 HydrophobicContact CD1-CD1 3.5Å; L465-L492 VanDerWaalsContact CD1-CD1 3.5Å; L465-A912 HydrophobicContact CB-CB 3.91Å; L465-A912 HydrophobicContact CD1-CB 4.34Å
466G95.8Very high94.7Very high2 Ų223 Ų232%0.02114%0.139CC..Hα-helixtrans-58.1-47.5176.500000112.4W462 Q463 L468 E469 E470 F908W462-G466 PolarHBondContact O-N 3.39Å; Q463-G466 PolarHBondContact O-N 3.43Å; G466-L468 PolarHBondContact O-N 2.93Å; G466-E469 PolarHBondContact O-N 3.04Å; G466-E470 WeakPolarHBondContact O-CB 3.34Å; G466-E470 PolarHBondContact O-N 3.32Å; G466-F908 WeakPolarHBondContact O-CB 3.5Å
467L97.4Very high94.8Very high6 Ų622.9 Ų22.93%0.03113%0.13CC..Hα-helixtrans-61.3-41.8177.117866.5000112.5K416 A444 Y448 Q463 C464 L465 G471K416-L467 HydrophobicContact CD-CD1 4.47Å; K416-L467 HydrophobicContact CG-CD1 4.1Å; K416-L467 HydrophobicContact CG-CD2 4.39Å; A444-L467 HydrophobicContact CB-CD2 3.63Å; Y448-L467 HydrophobicContact CD2-CD2 4.32Å; Y448-L467 HydrophobicContact CE2-CD2 4.11Å; Q463-L467 WeakPolarHBondContact O-CB 3.4Å; Q463-L467 PolarHBondContact O-N 2.93Å; C464-L467 PolarHBondContact O-N 3.01Å; L465-L467 PolarHBondContact O-N 3.43Å; L467-G471 PolarHBondContact O-N 2.74Å
468L98.2Very high95.2Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-72.2-35179.5-71.4171.3000112.6A445 C464 L465 G466 G471 L472 F481 L484 L485 L488A445-L468 HydrophobicContact CB-CD1 4.27Å; A445-L468 HydrophobicContact CB-CD2 3.85Å; A445-L468 HydrophobicContact CB-CG 4.05Å; C464-L468 WeakPolarHBondContact O-CB 3.2Å; C464-L468 WeakPolarHBondContact O-CG 3.5Å; C464-L468 PolarHBondContact O-N 3.42Å; L465-L468 PolarHBondContact O-N 2.78Å; G466-L468 PolarHBondContact O-N 2.93Å; L468-G471 PolarHBondContact O-N 2.76Å; L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 PolarHBondContact O-N 2.67Å; L468-F481 HydrophobicContact CD2-CD1 3.7Å; L468-F481 HydrophobicContact CD2-CE1 4.28Å; L468-F481 HydrophobicContact CD2-CG 4.33Å; L468-L484 HydrophobicContact CD1-CB 4.19Å; L468-L484 HydrophobicContact CD1-CD2 3.84Å; L468-L484 HydrophobicContact CD1-CG 3.84Å; L468-L484 HydrophobicContact CD2-CD2 4.25Å; L468-L485 HydrophobicContact CB-CD1 4.19Å; L468-L485 HydrophobicContact CB-CD2 3.54Å; L468-L485 HydrophobicContact CB-CG 3.71Å; L468-L485 HydrophobicContact CD1-CD2 4.14Å; L468-L485 HydrophobicContact CD1-CG 4.21Å; L468-L488 HydrophobicContact CD1-CD1 3.82Å
469E97.1Very high95.5Very high24 Ų2421.2 Ų21.211%0.11213%0.128CC..Hα-helixtrans-66.9-41.6173.3-74-77.1170.200111.4L465 G466 L472 S473 L485 Y489 F908 K915L465-E469 WeakPolarHBondContact O-CB 3.46Å; L465-E469 VanDerWaalsContact O-CG 3.29Å; L465-E469 WeakPolarHBondContact O-CG 3.48Å; L465-E469 PolarHBondContact O-N 3.32Å; G466-E469 PolarHBondContact O-N 3.04Å; E469-L472 PolarHBondContact O-N 3.48Å; E469-S473 PolarHBondContact O-N 3.19Å; E469-L485 HydrophobicContact CG-CD1 4.49Å; E469-L485 HydrophobicContact CG-CD2 4.08Å; E469-Y489 PolarHBondContact OE1-OH 3.24Å; E469-F908 HydrophobicContact CB-CB 4.42Å; E469-F908 HydrophobicContact CB-CD1 4.15Å; E469-K915 IonicContact OE1-NZ 3.26Å; E469-K915 PolarHBondContact OE1-NZ 3.25Å; E469-K915 IonicContact OE2-NZ 2.57Å; E469-K915 PolarHBondContact OE2-NZ 3.24Å
470E96.6Very high95.9Very high4 Ų421.2 Ų21.22%0.01913%0.127CC..Hα-helixtrans-58.6-51.3170.1175.8176.7-134.500110.7H420 G466 L472 S473 H474 F908H420-E470 IonicContact NE2-OE1 3.18Å; H420-E470 PolarHBondContact NE2-OE1 3.24Å; H420-E470 IonicContact NE2-OE2 3.34Å; G466-E470 WeakPolarHBondContact O-CB 3.34Å; G466-E470 PolarHBondContact O-N 3.32Å; E470-L472 VanDerWaalsContact C-N 3.28Å; E470-L472 PolarHBondContact O-N 3.35Å; E470-S473 WeakPolarHBondContact O-CB 3.49Å; E470-S473 PolarHBondContact O-N 3.07Å; E470-S473 PolarHBondContact O-OG 2.6Å; E470-H474 PolarHBondContact O-CD2 3.45Å; E470-H474 VanDerWaalsContact O-CD2 3.28Å; E470-H474 PolarHBondContact O-N 3.01Å; E470-F908 HydrophobicContact CB-CD1 4.47Å; E470-F908 HydrophobicContact CB-CD2 3.67Å; E470-F908 HydrophobicContact CB-CE2 3.79Å; E470-F908 HydrophobicContact CB-CG 4.03Å; E470-F908 HydrophobicContact CB-CZ 4.24Å; E470-F908 HydrophobicContact CG-CD2 4.15Å; E470-F908 HydrophobicContact CG-CE2 3.87Å; E470-F908 HydrophobicContact CG-CZ 4.45Å
471G96.2Very high96.1Very high0 Ų019.8 Ų19.80%012%0.12CC..Hα-helixtrans-51.6-45.8174.700000112.9Y419 L467 L468 S473 H474 S475Y419-G471 WeakPolarHBondContact OH-CA 3.44Å; L467-G471 PolarHBondContact O-N 2.74Å; L468-G471 PolarHBondContact O-N 2.76Å; G471-S473 VanDerWaalsContact C-N 3.3Å; G471-S473 PolarHBondContact O-N 3.37Å; G471-H474 PolarHBondContact O-N 3.22Å; G471-S475 WeakPolarHBondContact O-CB 3.3Å; G471-S475 PolarHBondContact O-N 3.26Å
472L95.9Very high96.2Very high25 Ų2520.3 Ų20.313%0.13112%0.122CC..Hα-helixtrans-69.1-28.1179-16964.7000112.8L468 E469 E470 H474 S475 S476 F481 K482 L485 L501L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 PolarHBondContact O-N 2.67Å; E469-L472 PolarHBondContact O-N 3.48Å; E470-L472 VanDerWaalsContact C-N 3.28Å; E470-L472 PolarHBondContact O-N 3.35Å; L472-H474 VanDerWaalsContact C-N 3.34Å; L472-S475 CarbonylContact O-C 3.51Å; L472-S476 WeakPolarHBondContact O-CA 3.06Å; L472-S476 PolarHBondContact O-N 2.89Å; L472-S476 VanDerWaalsContact O-N 3.08Å; L472-F481 HydrophobicContact CD1-CB 4.39Å; L472-K482 HydrophobicContact CD1-CD 4.43Å; L472-K482 HydrophobicContact CD1-CG 3.73Å; L472-K482 HydrophobicContact CD2-CG 4.28Å; L472-L485 HydrophobicContact CD2-CD1 3.95Å; L472-L501 HydrophobicContact CD2-CD2 3.77Å
473S94.5Very high96.4Very high69 Ų6920.5 Ų20.548%0.48312%0.123SC..Hα-helixtrans-67.6-34.7175.483.70000112.4E469 E470 G471E469-S473 PolarHBondContact O-N 3.19Å; E470-S473 WeakPolarHBondContact O-CB 3.49Å; E470-S473 PolarHBondContact O-N 3.07Å; E470-S473 PolarHBondContact O-OG 2.6Å; G471-S473 VanDerWaalsContact C-N 3.3Å; G471-S473 PolarHBondContact O-N 3.37Å
474H94.5Very high96.6Very high82 Ų8219.6 Ų19.638%0.3812%0.119SC..Hα-helixtrans-84.8-33.1175-66.3-69.5000112.8Y419 L423 E470 G471 L472Y419-H474 PolarHBondContact OH-CD2 2.93Å; L423-H474 HydrophobicContact CD2-CB 4.15Å; E470-H474 PolarHBondContact O-CD2 3.45Å; E470-H474 VanDerWaalsContact O-CD2 3.28Å; E470-H474 PolarHBondContact O-N 3.01Å; G471-H474 PolarHBondContact O-N 3.22Å; L472-H474 VanDerWaalsContact C-N 3.34Å
475S95Very high96.6Very high2 Ų219.6 Ų19.61%0.01412%0.119CC..  trans-127.463.3-174.7-62.40000112Q435 D438 G471 L472 S477 N478Q435-S475 WeakPolarHBondContact CB-OG 3.06Å; Q435-S475 WeakPolarHBondContact CG-OG 3.17Å; D438-S475 VanDerWaalsContact OD1-CB 3.3Å; D438-S475 WeakPolarHBondContact OD1-CB 3.44Å; D438-S475 PolarHBondContact OD1-OG 3.44Å; D438-S475 WeakPolarHBondContact OD2-CB 3.45Å; D438-S475 PolarHBondContact OD2-OG 3.01Å; D438-S475 VanDerWaalsContact OD2-OG 3.04Å; G471-S475 WeakPolarHBondContact O-CB 3.3Å; G471-S475 PolarHBondContact O-N 3.26Å; L472-S475 CarbonylContact O-C 3.51Å; S475-S477 PolarHBondContact O-N 3.45Å; S475-N478 VanDerWaalsContact O-CB 3.29Å; S475-N478 WeakPolarHBondContact O-CB 3.47Å; S475-N478 PolarHBondContact O-N 3.25Å
476S93.8Very high96.6Very high53 Ų5319.6 Ų19.637%0.37112%0.119SC..THydrogen-bonded Turntrans-57.3-18.6-174.164.60000115.9L472 K482L472-S476 WeakPolarHBondContact O-CA 3.06Å; L472-S476 PolarHBondContact O-N 2.89Å; L472-S476 VanDerWaalsContact O-N 3.08Å; S476-K482 WeakPolarHBondContact O-CE 3.05Å; S476-K482 PolarHBondContact O-NZ 3.06Å
477S94.3Very high96.7Very high48 Ų4819.8 Ų19.834%0.33612%0.12SC..THydrogen-bonded Turntrans-93.2-2178-60.30000113.8K431 T432 S475 A479K431-S477 WeakPolarHBondContact O-CB 3.33Å; K431-S477 PolarHBondContact O-OG 2.85Å; T432-S477 WeakPolarHBondContact CA-OG 3.46Å; S475-S477 PolarHBondContact O-N 3.45Å; S477-A479 PolarHBondContact O-N 3.13Å; S477-A479 VanDerWaalsContact O-N 3.1Å
478N97Very high96.7Very high2 Ų219.5 Ų19.51%0.01112%0.118CC..  trans-71.3106.8-177.3-166.1-45000111.7L434 D438 S475 Q480 F481 K482L434-N478 HydrophobicContact CD2-CB 3.81Å; D438-N478 WeakPolarHBondContact CB-ND2 3.32Å; D438-N478 VanDerWaalsContact CG-ND2 3.33Å; D438-N478 PolarHBondContact OD2-ND2 3.24Å; S475-N478 VanDerWaalsContact O-CB 3.29Å; S475-N478 WeakPolarHBondContact O-CB 3.47Å; S475-N478 PolarHBondContact O-N 3.25Å; N478-Q480 VanDerWaalsContact C-N 3.32Å; N478-Q480 PolarHBondContact O-N 2.83Å; N478-Q480 WeakPolarHBondContact OD1-CB 3.47Å; N478-Q480 PolarHBondContact OD1-N 3.34Å; N478-F481 HydrophobicContact CB-CB 4.34Å; N478-F481 HydrophobicContact CB-CD2 3.59Å; N478-F481 HydrophobicContact CB-CE2 4.07Å; N478-F481 HydrophobicContact CB-CG 4.03Å; N478-F481 PolarHBondContact OD1-N 3.01Å; N478-K482 WeakPolarHBondContact O-CG 3.48Å; N478-K482 PolarHBondContact O-N 3.3Å
479A97.1Very high96.7Very high42 Ų4219.5 Ų19.535%0.34712%0.118SC..Hα-helixtrans-66.9-31.8-179.300000112.9S477 K482 L483 L505S477-A479 PolarHBondContact O-N 3.13Å; S477-A479 VanDerWaalsContact O-N 3.1Å; A479-K482 PolarHBondContact O-N 3.37Å; A479-L483 WeakPolarHBondContact O-CB 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.16Å; A479-L483 PolarHBondContact O-N 3.21Å; A479-L505 HydrophobicContact CB-CD2 3.73Å
480Q97.8Very high96.7Very high35 Ų3518.6 Ų18.616%0.16411%0.114CC..Hα-helixtrans-70.8-38-177.6-63-64.4-48.600111.5L442 N478 L483 L484 V633 T635L442-Q480 HydrophobicContact CD2-CB 3.82Å; L442-Q480 HydrophobicContact CD2-CG 4.36Å; N478-Q480 VanDerWaalsContact C-N 3.32Å; N478-Q480 PolarHBondContact O-N 2.83Å; N478-Q480 WeakPolarHBondContact OD1-CB 3.47Å; N478-Q480 PolarHBondContact OD1-N 3.34Å; Q480-L483 PolarHBondContact O-N 3.19Å; Q480-L484 WeakPolarHBondContact O-CB 3.48Å; Q480-L484 PolarHBondContact O-N 3.46Å; Q480-V633 PolarHBondContact NE2-O 3.1Å; Q480-T635 PolarHBondContact OE1-OG1 2.98Å
481F98.3Very high96.6Very high0 Ų021.9 Ų21.90%013%0.126CC..Hα-helixtrans-61.5-47.6171.4-63.7-18.4000111.5D438 C441 L442 L468 L472 N478 L483 L484 L485D438-F481 HydrophobicContact CB-CE2 4.3Å; D438-F481 HydrophobicContact CB-CZ 3.83Å; D438-F481 WeakPolarHBondContact O-CZ 3.49Å; C441-F481 HydrophobicContact CB-CE1 4.09Å; C441-F481 HydrophobicContact CB-CZ 3.82Å; L442-F481 HydrophobicContact CB-CE1 4.08Å; L468-F481 HydrophobicContact CD2-CD1 3.7Å; L468-F481 HydrophobicContact CD2-CE1 4.28Å; L468-F481 HydrophobicContact CD2-CG 4.33Å; L472-F481 HydrophobicContact CD1-CB 4.39Å; N478-F481 HydrophobicContact CB-CB 4.34Å; N478-F481 HydrophobicContact CB-CD2 3.59Å; N478-F481 HydrophobicContact CB-CE2 4.07Å; N478-F481 HydrophobicContact CB-CG 4.03Å; N478-F481 PolarHBondContact OD1-N 3.01Å; F481-L483 PolarHBondContact O-N 3.06Å; F481-L484 PolarHBondContact O-N 3.49Å; F481-L485 VanDerWaalsContact O-CB 3.3Å; F481-L485 WeakPolarHBondContact O-CB 3.14Å; F481-L485 VanDerWaalsContact O-CG 3.31Å; F481-L485 WeakPolarHBondContact O-CG 3.3Å; F481-L485 PolarHBondContact O-N 2.73Å
482K98.1Very high96.6Very high11 Ų1122 Ų225%0.04813%0.127CC..Hα-helixtrans-60.7-45.3178.5-65.4174.8-170.8178.70112.2L472 S476 N478 A479 L486 L501 S504 L505L472-K482 HydrophobicContact CD1-CD 4.43Å; L472-K482 HydrophobicContact CD1-CG 3.73Å; L472-K482 HydrophobicContact CD2-CG 4.28Å; S476-K482 WeakPolarHBondContact O-CE 3.05Å; S476-K482 PolarHBondContact O-NZ 3.06Å; N478-K482 WeakPolarHBondContact O-CG 3.48Å; N478-K482 PolarHBondContact O-N 3.3Å; A479-K482 PolarHBondContact O-N 3.37Å; K482-L486 VanDerWaalsContact O-CB 3.23Å; K482-L486 WeakPolarHBondContact O-CB 3.43Å; K482-L486 PolarHBondContact O-N 2.96Å; K482-L501 HydrophobicContact CB-CD2 4.43Å; K482-L501 HydrophobicContact CG-CD2 4.25Å; K482-S504 VanDerWaalsContact CE-OG 3.25Å; K482-S504 WeakPolarHBondContact CE-OG 3.3Å; K482-S504 PolarHBondContact NZ-O 3.37Å; K482-S504 PolarHBondContact NZ-OG 3.23Å; K482-L505 HydrophobicContact CB-CD1 4.37Å; K482-L505 HydrophobicContact CB-CD2 3.86Å; K482-L505 HydrophobicContact CB-CG 4Å; K482-L505 HydrophobicContact CD-CD2 3.72Å; K482-L505 HydrophobicContact CD-CG 3.92Å; K482-L505 HydrophobicContact CG-CD2 4.42Å
483L97.9Very high96.6Very high5 Ų520.8 Ų20.83%0.02612%0.121CC..Hα-helixtrans-64-44178.6-73.4168.7000111.6A479 Q480 F481 L486 L487 L505 L518 V633 F634A479-L483 WeakPolarHBondContact O-CB 3.31Å; A479-L483 WeakPolarHBondContact O-CG 3.16Å; A479-L483 PolarHBondContact O-N 3.21Å; Q480-L483 PolarHBondContact O-N 3.19Å; F481-L483 PolarHBondContact O-N 3.06Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.45Å; L483-L487 PolarHBondContact O-N 3.03Å; L483-L505 HydrophobicContact CD2-CD1 3.8Å; L483-L505 HydrophobicContact CG-CD1 4.16Å; L483-L518 HydrophobicContact CD2-CD1 3.82Å; L483-V633 HydrophobicContact CD1-CG1 4.41Å; L483-V633 HydrophobicContact CD1-CG2 3.74Å; L483-F634 HydrophobicContact CB-CD1 4.17Å; L483-F634 HydrophobicContact CB-CE1 3.74Å; L483-F634 HydrophobicContact CB-CZ 4.49Å; L483-F634 WeakPolarHBondContact O-CE1 3.38Å
484L98.2Very high96.6Very high2 Ų217.5 Ų17.51%0.0110%0.098CC..Hα-helixtrans-70.5-42.1-179.6-170.557.7000111.8L442 A445 I449 L468 Q480 F481 L486 L487 L488 L727L442-L484 HydrophobicContact CD1-CD2 3.62Å; A445-L484 HydrophobicContact CB-CD2 4Å; I449-L484 HydrophobicContact CD1-CD1 3.86Å; I449-L484 HydrophobicContact CD1-CD2 4.1Å; I449-L484 HydrophobicContact CD1-CG 4.35Å; L468-L484 HydrophobicContact CD1-CB 4.19Å; L468-L484 HydrophobicContact CD1-CD2 3.84Å; L468-L484 HydrophobicContact CD1-CG 3.84Å; L468-L484 HydrophobicContact CD2-CD2 4.25Å; Q480-L484 WeakPolarHBondContact O-CB 3.48Å; Q480-L484 PolarHBondContact O-N 3.46Å; F481-L484 PolarHBondContact O-N 3.49Å; L484-L486 VanDerWaalsContact C-N 3.31Å; L484-L486 PolarHBondContact O-N 2.93Å; L484-L487 HydrophobicContact CD1-CD2 4.44Å; L484-L487 PolarHBondContact O-N 3.32Å; L484-L488 HydrophobicContact CD1-CG 4.41Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 HydrophobicContact CG-CG 4.46Å; L484-L488 VanDerWaalsContact O-CG 3.31Å; L484-L488 WeakPolarHBondContact O-CG 3.49Å; L484-L488 PolarHBondContact O-N 2.81Å; L484-L727 HydrophobicContact CD1-CD2 3.86Å
485L98.3Very high96.8Very high0 Ų013.6 Ų13.60%08%0.08CC..Hα-helixtrans-56.3-46.5171-78.8169.8000111.2L465 L468 E469 L472 F481 L487 L488 Y489 L501L465-L485 HydrophobicContact CD2-CD2 3.65Å; L468-L485 HydrophobicContact CB-CD1 4.19Å; L468-L485 HydrophobicContact CB-CD2 3.54Å; L468-L485 HydrophobicContact CB-CG 3.71Å; L468-L485 HydrophobicContact CD1-CD2 4.14Å; L468-L485 HydrophobicContact CD1-CG 4.21Å; E469-L485 HydrophobicContact CG-CD1 4.49Å; E469-L485 HydrophobicContact CG-CD2 4.08Å; L472-L485 HydrophobicContact CD2-CD1 3.95Å; F481-L485 VanDerWaalsContact O-CB 3.3Å; F481-L485 WeakPolarHBondContact O-CB 3.14Å; F481-L485 VanDerWaalsContact O-CG 3.31Å; F481-L485 WeakPolarHBondContact O-CG 3.3Å; F481-L485 PolarHBondContact O-N 2.73Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 3.5Å; L485-L488 PolarHBondContact O-N 3.33Å; L485-Y489 HydrophobicContact CB-CD2 4.37Å; L485-Y489 HydrophobicContact CB-CE2 4.32Å; L485-Y489 HydrophobicContact CD2-CE2 4.17Å; L485-Y489 WeakPolarHBondContact O-CB 3.48Å; L485-Y489 WeakPolarHBondContact O-CD2 3.4Å; L485-Y489 PolarHBondContact O-N 3.34Å; L485-L501 HydrophobicContact CB-CD1 3.66Å; L485-L501 HydrophobicContact CD1-CD2 4.14Å
486L97.4Very high96.8Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-55.4-50.8176.6-178.9157.4000110.9K482 L483 L484 Y489 C490 V498 Y502 L518K482-L486 VanDerWaalsContact O-CB 3.23Å; K482-L486 WeakPolarHBondContact O-CB 3.43Å; K482-L486 PolarHBondContact O-N 2.96Å; L483-L486 WeakPolarHBondContact O-CB 3.43Å; L483-L486 PolarHBondContact O-N 3.45Å; L484-L486 VanDerWaalsContact C-N 3.31Å; L484-L486 PolarHBondContact O-N 2.93Å; L486-Y489 PolarHBondContact O-N 3.09Å; L486-C490 WeakPolarHBondContact O-CB 3.35Å; L486-C490 PolarHBondContact O-N 3.14Å; L486-C490 PolarHBondContact O-SG 2.8Å; L486-C490 VanDerWaalsContact O-SG 3.35Å; L486-V498 HydrophobicContact CD1-CG1 3.68Å; L486-V498 HydrophobicContact CD2-CG1 4.22Å; L486-V498 HydrophobicContact CG-CB 4.26Å; L486-V498 HydrophobicContact CG-CG1 3.52Å; L486-V498 HydrophobicContact CG-CG2 4.13Å; L486-Y502 HydrophobicContact CD1-CD2 4.01Å; L486-L518 HydrophobicContact CD2-CB 3.89Å
487L97.1Very high96.9Very high6 Ų615.3 Ų15.33%0.0318%0.083CC..Hα-helixtrans-60.8-47.8-180179.162000111.4L483 L484 L485 C490 R491 F634 L726 L727L483-L487 PolarHBondContact O-N 3.03Å; L484-L487 HydrophobicContact CD1-CD2 4.44Å; L484-L487 PolarHBondContact O-N 3.32Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-L487 PolarHBondContact O-N 3.5Å; L487-C490 PolarHBondContact O-N 3.39Å; L487-R491 HydrophobicContact CD1-CG 4.48Å; L487-R491 VanDerWaalsContact O-CG 3.29Å; L487-R491 WeakPolarHBondContact O-CG 3.38Å; L487-R491 PolarHBondContact O-N 2.78Å; L487-F634 HydrophobicContact CB-CE1 4.22Å; L487-F634 HydrophobicContact CB-CZ 4.2Å; L487-F634 HydrophobicContact CD2-CE1 4.09Å; L487-F634 HydrophobicContact CD2-CZ 4.03Å; L487-L726 HydrophobicContact CD2-CG 4.32Å; L487-L727 HydrophobicContact CD2-CD2 4.02Å
488L97.6Very high97Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-65-42.3-178.9-67.5177.5000112.1I449 W452 V461 C464 L465 L468 L484 L485 C490 R491 L492 L726I449-L488 HydrophobicContact CD1-CD1 4.44Å; I449-L488 HydrophobicContact CD1-CD2 4.13Å; I449-L488 HydrophobicContact CG1-CD2 4.16Å; W452-L488 HydrophobicContact CZ3-CD2 4.25Å; V461-L488 HydrophobicContact CG2-CD2 4.13Å; C464-L488 HydrophobicContact CB-CD1 4.48Å; L465-L488 HydrophobicContact CD2-CB 3.74Å; L465-L488 HydrophobicContact CD2-CD1 4.1Å; L468-L488 HydrophobicContact CD1-CD1 3.82Å; L484-L488 HydrophobicContact CD1-CG 4.41Å; L484-L488 HydrophobicContact CG-CD1 4.23Å; L484-L488 HydrophobicContact CG-CG 4.46Å; L484-L488 VanDerWaalsContact O-CG 3.31Å; L484-L488 WeakPolarHBondContact O-CG 3.49Å; L484-L488 PolarHBondContact O-N 2.81Å; L485-L488 PolarHBondContact O-N 3.33Å; L488-C490 PolarHBondContact O-N 3.36Å; L488-R491 PolarHBondContact O-N 3.29Å; L488-L492 WeakPolarHBondContact O-CG 3.37Å; L488-L492 PolarHBondContact O-N 3.43Å; L488-L726 HydrophobicContact CD2-CD2 4.43Å
489Y98.1Very high96.9Very high0 Ų014.8 Ų14.80%08%0.078CC..Hα-helixtrans-59.9-46.4173.6-78-49.3000111.8L465 E469 L485 L486 R491 L492 G493 S494 P497 L501 V916L465-Y489 HydrophobicContact CD1-CD1 4.21Å; L465-Y489 HydrophobicContact CD1-CE1 3.82Å; L465-Y489 HydrophobicContact CD2-CD1 4.3Å; L465-Y489 HydrophobicContact CD2-CE1 4.06Å; L465-Y489 HydrophobicContact CD2-CE2 4.43Å; E469-Y489 PolarHBondContact OE1-OH 3.24Å; L485-Y489 HydrophobicContact CB-CD2 4.37Å; L485-Y489 HydrophobicContact CB-CE2 4.32Å; L485-Y489 HydrophobicContact CD2-CE2 4.17Å; L485-Y489 WeakPolarHBondContact O-CB 3.48Å; L485-Y489 WeakPolarHBondContact O-CD2 3.4Å; L485-Y489 PolarHBondContact O-N 3.34Å; L486-Y489 PolarHBondContact O-N 3.09Å; Y489-R491 VanDerWaalsContact C-N 3.29Å; Y489-R491 PolarHBondContact O-N 2.84Å; Y489-L492 CarbonylContact O-C 3.32Å; Y489-L492 PolarHBondContact O-N 2.88Å; Y489-L492 VanDerWaalsContact O-N 3.1Å; Y489-G493 PolarHBondContact O-N 3.05Å; Y489-G493 VanDerWaalsContact O-N 3.16Å; Y489-S494 CarbonylContact C-O 3.24Å; Y489-S494 PolarHBondContact O-N 2.96Å; Y489-P497 HydrophobicContact CD2-CB 3.91Å; Y489-P497 HydrophobicContact CE2-CB 3.88Å; Y489-P497 HydrophobicContact CG-CB 4.4Å; Y489-L501 HydrophobicContact CD2-CD1 3.86Å; Y489-L501 HydrophobicContact CE2-CD1 4.02Å; Y489-V916 HydrophobicContact CD1-CG2 3.88Å; Y489-V916 HydrophobicContact CE1-CG2 3.89Å
490C96.8Very high96.7Very high5 Ų518.3 Ų18.33%0.0349%0.091CC..Hα-helixtrans-59-39.6175.1-74.70000112.3L486 L487 L488 L492 G493 S494 Y522L486-C490 WeakPolarHBondContact O-CB 3.35Å; L486-C490 PolarHBondContact O-N 3.14Å; L486-C490 PolarHBondContact O-SG 2.8Å; L486-C490 VanDerWaalsContact O-SG 3.35Å; L487-C490 PolarHBondContact O-N 3.39Å; L488-C490 PolarHBondContact O-N 3.36Å; C490-L492 VanDerWaalsContact C-N 3.3Å; C490-L492 PolarHBondContact O-N 2.88Å; C490-G493 PolarHBondContact O-N 3.34Å; C490-G493 VanDerWaalsContact O-N 3.15Å; C490-S494 PolarHBondContact N-O 3.44Å; C490-Y522 HydrophobicContact CB-CD1 3.84Å; C490-Y522 HydrophobicContact CB-CD2 3.87Å; C490-Y522 HydrophobicContact CB-CE1 3.93Å; C490-Y522 HydrophobicContact CB-CE2 3.95Å; C490-Y522 HydrophobicContact CB-CG 3.79Å; C490-Y522 VanDerWaalsContact SG-CD2 3.57Å
491R94.7Very high96.7Very high72 Ų7217.4 Ų17.427%0.2729%0.087SC..Hα-helixtrans-66.4-31.4176.6-68.9-62.7-171.2-171.93.4112.9W452 L487 L488 Y489 G493 L726W452-R491 HydrophobicContact CH2-CB 4.15Å; L487-R491 HydrophobicContact CD1-CG 4.48Å; L487-R491 VanDerWaalsContact O-CG 3.29Å; L487-R491 WeakPolarHBondContact O-CG 3.38Å; L487-R491 PolarHBondContact O-N 2.78Å; L488-R491 PolarHBondContact O-N 3.29Å; Y489-R491 VanDerWaalsContact C-N 3.29Å; Y489-R491 PolarHBondContact O-N 2.84Å; R491-G493 VanDerWaalsContact C-N 3.27Å; R491-L726 HydrophobicContact CG-CD1 4.22Å
492L95.8Very high96.5Very high2 Ų218.1 Ų18.11%0.019%0.089CC..THydrogen-bonded Turntrans-84.14.2174-68.4172.2000113.4V461 W462 L465 L488 Y489 C490 S494 T806 Y920V461-L492 HydrophobicContact CG1-CD2 4.05Å; V461-L492 HydrophobicContact CG2-CD1 4.22Å; W462-L492 HydrophobicContact CE3-CD1 4.47Å; W462-L492 HydrophobicContact CH2-CD1 4.06Å; W462-L492 HydrophobicContact CZ3-CD1 3.98Å; L465-L492 HydrophobicContact CD1-CD1 3.5Å; L465-L492 VanDerWaalsContact CD1-CD1 3.5Å; L488-L492 WeakPolarHBondContact O-CG 3.37Å; L488-L492 PolarHBondContact O-N 3.43Å; Y489-L492 CarbonylContact O-C 3.32Å; Y489-L492 PolarHBondContact O-N 2.88Å; Y489-L492 VanDerWaalsContact O-N 3.1Å; C490-L492 VanDerWaalsContact C-N 3.3Å; C490-L492 PolarHBondContact O-N 2.88Å; L492-S494 VanDerWaalsContact C-N 3.31Å; L492-S494 PolarHBondContact O-N 3.23Å; L492-T806 HydrophobicContact CB-CG2 4.5Å; L492-T806 HydrophobicContact CD2-CG2 4.12Å; L492-T806 WeakPolarHBondContact CD2-OG1 3.38Å; L492-Y920 VanDerWaalsContact O-CE2 3.26Å; L492-Y920 WeakPolarHBondContact O-CE2 3.47Å; L492-Y920 PolarHBondContact O-OH 3.39Å
493G95.8Very high96.3Very high0 Ų021.3 Ų21.30%011%0.113CC..THydrogen-bonded Turntrans7712.4-179.500000115.5Y489 C490 R491Y489-G493 PolarHBondContact O-N 3.05Å; Y489-G493 VanDerWaalsContact O-N 3.16Å; C490-G493 PolarHBondContact O-N 3.34Å; C490-G493 VanDerWaalsContact O-N 3.15Å; R491-G493 VanDerWaalsContact C-N 3.27Å
494S96.1Very high96.2Very high0 Ų024.2 Ų24.20%013%0.134CC..  trans-100.5131.4177.2-179.10000110.7Y489 C490 L492 P497 S919Y489-S494 CarbonylContact C-O 3.24Å; Y489-S494 PolarHBondContact O-N 2.96Å; C490-S494 PolarHBondContact N-O 3.44Å; L492-S494 VanDerWaalsContact C-N 3.31Å; L492-S494 PolarHBondContact O-N 3.23Å; S494-P497 VanDerWaalsContact OG-CD 3.3Å; S494-P497 WeakPolarHBondContact OG-CD 3.38Å; S494-S919 WeakPolarHBondContact OG-CB 3.32Å; S494-S919 PolarHBondContact OG-OG 2.86Å
495F97.1Very high96Very high0 Ų025.7 Ų25.70%014%0.142CC..  trans-131.8-17.7-176.6-167.7-92.1000114V498 V499 L519 A523 L526 Q528 A531 S919F495-V498 HydrophobicContact CD2-CB 4.04Å; F495-V498 HydrophobicContact CD2-CG1 3.93Å; F495-V498 HydrophobicContact CD2-CG2 4.3Å; F495-V498 HydrophobicContact CE2-CB 4.18Å; F495-V498 HydrophobicContact CE2-CG1 3.57Å; F495-V498 HydrophobicContact CG-CB 4.38Å; F495-V498 HydrophobicContact CZ-CG1 3.98Å; F495-V498 VanDerWaalsContact O-CB 3.29Å; F495-V498 WeakPolarHBondContact O-CB 3.15Å; F495-V498 PolarHBondContact O-N 2.93Å; F495-V498 VanDerWaalsContact O-N 3.17Å; F495-V499 HydrophobicContact CD1-CG2 4.16Å; F495-V499 HydrophobicContact CE1-CG2 3.8Å; F495-V499 PolarHBondContact O-N 3.49Å; F495-L519 HydrophobicContact CE2-CD2 4.28Å; F495-L519 HydrophobicContact CZ-CB 4.29Å; F495-L519 HydrophobicContact CZ-CD2 3.83Å; F495-A523 HydrophobicContact CD1-CB 4.05Å; F495-A523 HydrophobicContact CE1-CB 3.35Å; F495-A523 HydrophobicContact CE2-CB 4.02Å; F495-A523 HydrophobicContact CZ-CB 3.34Å; F495-L526 HydrophobicContact CB-CB 4.34Å; F495-L526 HydrophobicContact CB-CD1 3.92Å; F495-L526 HydrophobicContact CD2-CD1 4.39Å; F495-Q528 HydrophobicContact CB-CG 4.04Å; F495-Q528 HydrophobicContact CD1-CB 3.94Å; F495-Q528 HydrophobicContact CD1-CG 4.12Å; F495-Q528 HydrophobicContact CG-CG 4.5Å; F495-A531 HydrophobicContact CD1-CB 4.16Å; F495-A531 HydrophobicContact CE1-CB 3.77Å; F495-S919 PolarHBondContact N-OG 2.96Å
496E94.9Very high95.7Very high81 Ų8130.2 Ų30.238%0.37917%0.166SC..Hα-helixtrans-58.5-47.2175-179.9175.9-155.500112.6V498 V499 S919E496-V498 PolarHBondContact O-N 3.02Å; E496-V499 PolarHBondContact O-N 3.24Å; E496-S919 PolarHBondContact N-OG 3.08Å; E496-S919 PolarHBondContact OE2-N 3.22Å
497P96.4Very high95.5Very high11 Ų1130.9 Ų30.97%0.07117%0.171CC..Hα-helixtrans-64.7-25.7176.8-21.134.7000113.6Y489 S494 V499 D500 L501 K915Y489-P497 HydrophobicContact CD2-CB 3.91Å; Y489-P497 HydrophobicContact CE2-CB 3.88Å; Y489-P497 HydrophobicContact CG-CB 4.4Å; S494-P497 VanDerWaalsContact OG-CD 3.3Å; S494-P497 WeakPolarHBondContact OG-CD 3.38Å; P497-V499 VanDerWaalsContact C-N 3.3Å; P497-V499 PolarHBondContact O-N 2.97Å; P497-D500 PolarHBondContact O-N 2.9Å; P497-L501 VanDerWaalsContact O-CG 3.31Å; P497-L501 WeakPolarHBondContact O-CG 3.3Å; P497-L501 PolarHBondContact O-N 2.81Å; P497-K915 HydrophobicContact CB-CD 4.32Å; P497-K915 HydrophobicContact CG-CB 3.79Å; P497-K915 HydrophobicContact CG-CD 4.27Å; P497-K915 HydrophobicContact CG-CG 4.35Å
498V97.1Very high95.3Very high0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-64.6-36.7-179165.90000111L486 F495 E496 D500 L501 Y502 L519L486-V498 HydrophobicContact CD1-CG1 3.68Å; L486-V498 HydrophobicContact CD2-CG1 4.22Å; L486-V498 HydrophobicContact CG-CB 4.26Å; L486-V498 HydrophobicContact CG-CG1 3.52Å; L486-V498 HydrophobicContact CG-CG2 4.13Å; F495-V498 HydrophobicContact CD2-CB 4.04Å; F495-V498 HydrophobicContact CD2-CG1 3.93Å; F495-V498 HydrophobicContact CD2-CG2 4.3Å; F495-V498 HydrophobicContact CE2-CB 4.18Å; F495-V498 HydrophobicContact CE2-CG1 3.57Å; F495-V498 HydrophobicContact CG-CB 4.38Å; F495-V498 HydrophobicContact CZ-CG1 3.98Å; F495-V498 VanDerWaalsContact O-CB 3.29Å; F495-V498 WeakPolarHBondContact O-CB 3.15Å; F495-V498 PolarHBondContact O-N 2.93Å; F495-V498 VanDerWaalsContact O-N 3.17Å; E496-V498 PolarHBondContact O-N 3.02Å; V498-D500 PolarHBondContact O-N 3.44Å; V498-L501 PolarHBondContact O-N 2.88Å; V498-Y502 VanDerWaalsContact O-CB 3.3Å; V498-Y502 WeakPolarHBondContact O-CB 3.29Å; V498-Y502 PolarHBondContact O-N 2.7Å; V498-L519 HydrophobicContact CG1-CD2 3.53Å
499V93.9Very high95.1Very high39 Ų3941.9 Ų41.924%0.23622%0.221CC..Hα-helixtrans-62.2-44.3178.7179.20000111F495 E496 P497 S503 A531F495-V499 HydrophobicContact CD1-CG2 4.16Å; F495-V499 HydrophobicContact CE1-CG2 3.8Å; F495-V499 PolarHBondContact O-N 3.49Å; E496-V499 PolarHBondContact O-N 3.24Å; P497-V499 VanDerWaalsContact C-N 3.3Å; P497-V499 PolarHBondContact O-N 2.97Å; V499-S503 VanDerWaalsContact O-CB 3.3Å; V499-S503 WeakPolarHBondContact O-CB 3.42Å; V499-S503 PolarHBondContact O-N 3.5Å; V499-S503 PolarHBondContact O-OG 3.3Å; V499-A531 HydrophobicContact CG2-CB 3.75Å
500D93.9Very high94.9Very high116 Ų11645.7 Ų45.762%0.6224%0.24SC*.Hα-helixtrans-69.2-43.5179.2-70-23.9000111.6P497 V498 Y502 S503 S504P497-D500 PolarHBondContact O-N 2.9Å; V498-D500 PolarHBondContact O-N 3.44Å; D500-Y502 PolarHBondContact O-N 2.64Å; D500-S503 PolarHBondContact O-N 3.46Å; D500-S504 VanDerWaalsContact O-CB 3.24Å; D500-S504 WeakPolarHBondContact O-CB 3.46Å; D500-S504 PolarHBondContact O-N 3.23Å
501L96.8Very high94.9Very high15 Ų1549 Ų498%0.07926%0.255CS..Hα-helixtrans-60.7-45.5176.5-71.9169000111.8L472 K482 L485 Y489 P497 V498 S504 L505L472-L501 HydrophobicContact CD2-CD2 3.77Å; K482-L501 HydrophobicContact CB-CD2 4.43Å; K482-L501 HydrophobicContact CG-CD2 4.25Å; L485-L501 HydrophobicContact CB-CD1 3.66Å; L485-L501 HydrophobicContact CD1-CD2 4.14Å; Y489-L501 HydrophobicContact CD2-CD1 3.86Å; Y489-L501 HydrophobicContact CE2-CD1 4.02Å; P497-L501 VanDerWaalsContact O-CG 3.31Å; P497-L501 WeakPolarHBondContact O-CG 3.3Å; P497-L501 PolarHBondContact O-N 2.81Å; V498-L501 PolarHBondContact O-N 2.88Å; L501-S504 WeakPolarHBondContact O-CB 3.24Å; L501-S504 PolarHBondContact O-N 3.41Å; L501-L505 PolarHBondContact O-N 2.84Å; L501-L505 VanDerWaalsContact O-N 3.08Å
502Y95.3Very high95Very high15 Ų1547 Ų476%0.05925%0.249CC..Hα-helixtrans-69.2-38.8178.9-169.3-82000112.2L486 V498 D500 S504 L505 A507 I515 G516 L519L486-Y502 HydrophobicContact CD1-CD2 4.01Å; V498-Y502 VanDerWaalsContact O-CB 3.3Å; V498-Y502 WeakPolarHBondContact O-CB 3.29Å; V498-Y502 PolarHBondContact O-N 2.7Å; D500-Y502 PolarHBondContact O-N 2.64Å; Y502-S504 VanDerWaalsContact C-N 3.27Å; Y502-S504 PolarHBondContact O-N 2.86Å; Y502-L505 WeakPolarHBondContact O-CB 3.39Å; Y502-L505 PolarHBondContact O-N 2.96Å; Y502-L505 VanDerWaalsContact O-N 3.15Å; Y502-A507 HydrophobicContact CD1-CB 4.45Å; Y502-A507 HydrophobicContact CE1-CB 3.62Å; Y502-A507 HydrophobicContact CE2-CB 4.41Å; Y502-A507 WeakPolarHBondContact OH-CB 3.47Å; Y502-I515 HydrophobicContact CE2-CD1 4.43Å; Y502-I515 HydrophobicContact CE2-CG1 4.47Å; Y502-G516 WeakPolarHBondContact OH-CA 3.26Å; Y502-L519 HydrophobicContact CD1-CD1 3.41Å; Y502-L519 VanDerWaalsContact CD1-CD1 3.41Å; Y502-L519 HydrophobicContact CD1-CD2 4.48Å; Y502-L519 HydrophobicContact CD1-CG 4.12Å; Y502-L519 HydrophobicContact CD2-CD1 3.91Å; Y502-L519 HydrophobicContact CD2-CD2 3.88Å; Y502-L519 HydrophobicContact CD2-CG 3.66Å; Y502-L519 HydrophobicContact CE1-CD1 3.6Å; Y502-L519 HydrophobicContact CE1-CG 4.35Å; Y502-L519 HydrophobicContact CE2-CD1 4.08Å; Y502-L519 HydrophobicContact CE2-CG 3.92Å; Y502-L519 HydrophobicContact CG-CD1 3.57Å; Y502-L519 HydrophobicContact CG-CD2 3.8Å; Y502-L519 HydrophobicContact CG-CG 3.76Å
503S93.4Very high95Very high78 Ų7847 Ų4755%0.54525%0.249SC..Hα-helixtrans-62.9-37.3174-59.70000111.4V499 D500 L505 D506V499-S503 VanDerWaalsContact O-CB 3.3Å; V499-S503 WeakPolarHBondContact O-CB 3.42Å; V499-S503 PolarHBondContact O-N 3.5Å; V499-S503 PolarHBondContact O-OG 3.3Å; D500-S503 PolarHBondContact O-N 3.46Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.18Å; S503-D506 PolarHBondContact O-N 3.38Å; S503-D506 VanDerWaalsContact O-N 3.07Å
504S94.8Very high95.1Very high66 Ų6648.7 Ų48.746%0.46226%0.259SS..Hα-helixtrans-70.4-19.9175179.60000114K482 D500 L501 Y502K482-S504 VanDerWaalsContact CE-OG 3.25Å; K482-S504 WeakPolarHBondContact CE-OG 3.3Å; K482-S504 PolarHBondContact NZ-O 3.37Å; K482-S504 PolarHBondContact NZ-OG 3.23Å; D500-S504 VanDerWaalsContact O-CB 3.24Å; D500-S504 WeakPolarHBondContact O-CB 3.46Å; D500-S504 PolarHBondContact O-N 3.23Å; L501-S504 WeakPolarHBondContact O-CB 3.24Å; L501-S504 PolarHBondContact O-N 3.41Å; Y502-S504 VanDerWaalsContact C-N 3.27Å; Y502-S504 PolarHBondContact O-N 2.86Å
505L94Very high95.1Very high34 Ų3449.3 Ų49.318%0.17826%0.262CS..THydrogen-bonded Turntrans-72.3-17.3168.6-74.9169.3000112.4A479 K482 L483 L501 Y502 S503 A507A479-L505 HydrophobicContact CB-CD2 3.73Å; K482-L505 HydrophobicContact CB-CD1 4.37Å; K482-L505 HydrophobicContact CB-CD2 3.86Å; K482-L505 HydrophobicContact CB-CG 4Å; K482-L505 HydrophobicContact CD-CD2 3.72Å; K482-L505 HydrophobicContact CD-CG 3.92Å; K482-L505 HydrophobicContact CG-CD2 4.42Å; L483-L505 HydrophobicContact CD2-CD1 3.8Å; L483-L505 HydrophobicContact CG-CD1 4.16Å; L501-L505 PolarHBondContact O-N 2.84Å; L501-L505 VanDerWaalsContact O-N 3.08Å; Y502-L505 WeakPolarHBondContact O-CB 3.39Å; Y502-L505 PolarHBondContact O-N 2.96Å; Y502-L505 VanDerWaalsContact O-N 3.15Å; S503-L505 VanDerWaalsContact C-N 3.3Å; S503-L505 PolarHBondContact O-N 3.18Å; L505-A507 VanDerWaalsContact C-N 3.26Å; L505-A507 PolarHBondContact O-N 2.97Å
506D93.4Very high95.1Very high95 Ų9549.3 Ų49.351%0.50826%0.263SS..THydrogen-bonded Turntrans53.842.2-178.3-164.530.5000112.6S503 K508S503-D506 PolarHBondContact O-N 3.38Å; S503-D506 VanDerWaalsContact O-N 3.07Å; D506-K508 VanDerWaalsContact CG-CE 3.4Å; D506-K508 VanDerWaalsContact CG-NZ 3.25Å; D506-K508 WeakPolarHBondContact O-CG 3.46Å; D506-K508 PolarHBondContact O-N 3.34Å; D506-K508 WeakPolarHBondContact OD1-CE 3.47Å; D506-K508 IonicContact OD1-NZ 3.01Å; D506-K508 PolarHBondContact OD1-NZ 3.47Å; D506-K508 VanDerWaalsContact OD2-CE 3.27Å; D506-K508 WeakPolarHBondContact OD2-CE 3.28Å; D506-K508 IonicContact OD2-NZ 2.76Å; D506-K508 PolarHBondContact OD2-NZ 3.1Å
507A93.1Very high95.1Very high13 Ų1345.8 Ų45.811%0.10725%0.246CC..  trans-64.1123.6-178.400000111.5Y502 L505 Q511 H512 I515Y502-A507 HydrophobicContact CD1-CB 4.45Å; Y502-A507 HydrophobicContact CE1-CB 3.62Å; Y502-A507 HydrophobicContact CE2-CB 4.41Å; Y502-A507 WeakPolarHBondContact OH-CB 3.47Å; L505-A507 VanDerWaalsContact C-N 3.26Å; L505-A507 PolarHBondContact O-N 2.97Å; A507-Q511 HydrophobicContact CB-CB 4.16Å; A507-H512 PolarHBondContact O-CE1 3.02Å; A507-H512 VanDerWaalsContact O-CE1 3.24Å; A507-H512 PolarHBondContact O-NE2 3.17Å; A507-I515 HydrophobicContact CB-CD1 4.05Å
508K93.3Very high94.9Very high99 Ų9945.4 Ų45.443%0.4324%0.243SC..  trans-130.1153-173.5-73170.9-173.7157.80113.2D506 I510 Q511D506-K508 VanDerWaalsContact CG-CE 3.4Å; D506-K508 VanDerWaalsContact CG-NZ 3.25Å; D506-K508 WeakPolarHBondContact O-CG 3.46Å; D506-K508 PolarHBondContact O-N 3.34Å; D506-K508 WeakPolarHBondContact OD1-CE 3.47Å; D506-K508 IonicContact OD1-NZ 3.01Å; D506-K508 PolarHBondContact OD1-NZ 3.47Å; D506-K508 VanDerWaalsContact OD2-CE 3.27Å; D506-K508 WeakPolarHBondContact OD2-CE 3.28Å; D506-K508 IonicContact OD2-NZ 2.76Å; D506-K508 PolarHBondContact OD2-NZ 3.1Å; K508-I510 PolarHBondContact O-N 3.49Å; K508-I510 VanDerWaalsContact O-N 3.15Å; K508-Q511 VanDerWaalsContact O-CB 3.32Å; K508-Q511 WeakPolarHBondContact O-CB 3.48Å; K508-Q511 PolarHBondContact O-N 3.24Å; K508-Q511 PolarHBondContact O-OE1 3.14Å
509H91.6Very high94.8Very high139 Ų13946 Ų4664%0.64425%0.247SC*.THydrogen-bonded Turntrans49.8-117.8169.8-55.5-60.1000112.2Q511 H512 F542H509-Q511 PolarHBondContact O-N 2.88Å; H509-H512 WeakPolarHBondContact O-CB 3.35Å; H509-H512 PolarHBondContact O-CD2 3.24Å; H509-H512 VanDerWaalsContact O-CD2 3.32Å; H509-H512 PolarHBondContact O-N 3.2Å; H509-F542 HydrophobicContact CB-CD2 4.36Å; H509-F542 HydrophobicContact CB-CE2 4.34Å; H509-F542 VanDerWaalsContact O-CD2 3.28Å; H509-F542 WeakPolarHBondContact O-CD2 3.09Å; H509-F542 WeakPolarHBondContact O-CE2 3.38Å; H509-F542 WeakPolarHBondContact O-CG 3.49Å
510I95.4Very high94.9Very high80 Ų8045.5 Ų45.541%0.4124%0.243SC..THydrogen-bonded Turntrans-56.6-25.6-176.9-166.660.3000113.3K508 H512 D513 T514 F542 L576K508-I510 PolarHBondContact O-N 3.49Å; K508-I510 VanDerWaalsContact O-N 3.15Å; I510-H512 PolarHBondContact O-N 3.29Å; I510-D513 HydrophobicContact CD1-CB 4.49Å; I510-D513 WeakPolarHBondContact O-CB 3.41Å; I510-D513 PolarHBondContact O-N 3.03Å; I510-T514 HydrophobicContact CG1-CG2 4.4Å; I510-T514 PolarHBondContact O-N 3.44Å; I510-F542 HydrophobicContact CD1-CZ 4.04Å; I510-L576 HydrophobicContact CD1-CD1 4.35Å; I510-L576 HydrophobicContact CD1-CD2 3.71Å
511Q96.5Very high94.9Very high75 Ų7541.6 Ų41.635%0.3522%0.22SC..Hα-helixtrans-63.8-25.1177.1-65176-55.300112.4A507 K508 H509 D513 T514 I515 G516A507-Q511 HydrophobicContact CB-CB 4.16Å; K508-Q511 VanDerWaalsContact O-CB 3.32Å; K508-Q511 WeakPolarHBondContact O-CB 3.48Å; K508-Q511 PolarHBondContact O-N 3.24Å; K508-Q511 PolarHBondContact O-OE1 3.14Å; H509-Q511 PolarHBondContact O-N 2.88Å; Q511-D513 PolarHBondContact O-N 3.06Å; Q511-T514 WeakPolarHBondContact CA-OG1 3.43Å; Q511-T514 PolarHBondContact O-N 3.19Å; Q511-I515 HydrophobicContact CB-CD1 4.17Å; Q511-I515 HydrophobicContact CB-CG1 3.96Å; Q511-I515 WeakPolarHBondContact O-CG1 3.4Å; Q511-I515 PolarHBondContact O-N 3.49Å; Q511-G516 PolarHBondContact O-N 2.94Å; Q511-G516 VanDerWaalsContact O-N 3.1Å
512H95.8Very high94.9Very high29 Ų2941.6 Ų41.613%0.13422%0.219CC..Hα-helixtrans-66-23.9172.6-63.7-56.8000112.8A507 H509 I510 G516 F542 H581A507-H512 PolarHBondContact O-CE1 3.02Å; A507-H512 VanDerWaalsContact O-CE1 3.24Å; A507-H512 PolarHBondContact O-NE2 3.17Å; H509-H512 WeakPolarHBondContact O-CB 3.35Å; H509-H512 PolarHBondContact O-CD2 3.24Å; H509-H512 VanDerWaalsContact O-CD2 3.32Å; H509-H512 PolarHBondContact O-N 3.2Å; I510-H512 PolarHBondContact O-N 3.29Å; H512-G516 WeakPolarHBondContact O-CA 3.42Å; H512-F542 HydrophobicContact CB-CB 4.19Å; H512-F542 HydrophobicContact CB-CD1 4.13Å; H512-F542 HydrophobicContact CB-CG 4.25Å; H512-H581 PolarHBondContact O-CD2 2.9Å; H512-H581 PolarHBondContact O-NE2 3.35Å
513D97.1Very high94.8Very high2 Ų240.9 Ų40.91%0.01122%0.216CC..Hα-helixtrans-87-38.1173.2-166.335.2000111.9I510 Q511 F542 F543 L576 S579 N628I510-D513 HydrophobicContact CD1-CB 4.49Å; I510-D513 WeakPolarHBondContact O-CB 3.41Å; I510-D513 PolarHBondContact O-N 3.03Å; Q511-D513 PolarHBondContact O-N 3.06Å; D513-F542 HydrophobicContact CB-CE1 3.99Å; D513-F543 HydrophobicContact CB-CE1 4.11Å; D513-F543 HydrophobicContact CB-CZ 3.91Å; D513-F543 VanDerWaalsContact OD1-CZ 3.23Å; D513-F543 WeakPolarHBondContact OD1-CZ 3.32Å; D513-L576 HydrophobicContact CB-CD2 4.43Å; D513-L576 VanDerWaalsContact OD2-CD2 3.23Å; D513-L576 WeakPolarHBondContact OD2-CD2 3.47Å; D513-S579 WeakPolarHBondContact OD1-CB 3.35Å; D513-S579 PolarHBondContact OD1-OG 3.4Å; D513-N628 WeakPolarHBondContact OD2-CB 3.28Å; D513-N628 PolarHBondContact OD2-ND2 2.71Å
514T97.1Very high94.9Very high35 Ų3537.8 Ų37.822%0.21519%0.193CC..Hα-helixtrans-85.9-38.7-172.8640000113.9I510 Q511 F517 R629 D630I510-T514 HydrophobicContact CG1-CG2 4.4Å; I510-T514 PolarHBondContact O-N 3.44Å; Q511-T514 WeakPolarHBondContact CA-OG1 3.43Å; Q511-T514 PolarHBondContact O-N 3.19Å; T514-F517 VanDerWaalsContact O-CD1 3.32Å; T514-F517 WeakPolarHBondContact O-CD1 3.48Å; T514-F517 WeakPolarHBondContact O-CE1 3.41Å; T514-R629 WeakPolarHBondContact O-CA 3.44Å; T514-D630 PolarHBondContact O-N 3.19Å
515I96.5Very high95Very high13 Ų1334.7 Ų34.77%0.06717%0.172CC..THydrogen-bonded Turntrans-122.6-8.8-177.862.7166.8000113.6Y502 A507 Q511 F517 L518 D630 V633Y502-I515 HydrophobicContact CE2-CD1 4.43Å; Y502-I515 HydrophobicContact CE2-CG1 4.47Å; A507-I515 HydrophobicContact CB-CD1 4.05Å; Q511-I515 HydrophobicContact CB-CD1 4.17Å; Q511-I515 HydrophobicContact CB-CG1 3.96Å; Q511-I515 WeakPolarHBondContact O-CG1 3.4Å; Q511-I515 PolarHBondContact O-N 3.49Å; I515-F517 PolarHBondContact O-N 2.96Å; I515-F517 VanDerWaalsContact O-N 3.14Å; I515-L518 HydrophobicContact CB-CD1 4.35Å; I515-L518 VanDerWaalsContact O-CB 3.3Å; I515-L518 WeakPolarHBondContact O-CB 3.38Å; I515-L518 WeakPolarHBondContact O-CG 3.37Å; I515-L518 PolarHBondContact O-N 3.49Å; I515-D630 HydrophobicContact CG2-CB 4.39Å; I515-V633 HydrophobicContact CG2-CB 4.39Å; I515-V633 HydrophobicContact CG2-CG1 4.43Å; I515-V633 HydrophobicContact CG2-CG2 4.12Å
516G95.7Very high95.1Very high1 Ų133.5 Ų33.51%0.0117%0.165CC..THydrogen-bonded Turntrans-59.9-23.9178.400000114.2Y502 Q511 H512 L518 L519 T520Y502-G516 WeakPolarHBondContact OH-CA 3.26Å; Q511-G516 PolarHBondContact O-N 2.94Å; Q511-G516 VanDerWaalsContact O-N 3.1Å; H512-G516 WeakPolarHBondContact O-CA 3.42Å; G516-L518 PolarHBondContact O-N 3.32Å; G516-L519 PolarHBondContact O-N 3.18Å; G516-T520 PolarHBondContact O-N 3.31Å
517F95.4Very high95.2Very high7 Ų729 Ų293%0.03114%0.141CC..Hα-helixtrans-58.7-26.6174.180.3-87.3000112.9T514 I515 L519 T520 R521 H581 R629 L631 P730T514-F517 VanDerWaalsContact O-CD1 3.32Å; T514-F517 WeakPolarHBondContact O-CD1 3.48Å; T514-F517 WeakPolarHBondContact O-CE1 3.41Å; I515-F517 PolarHBondContact O-N 2.96Å; I515-F517 VanDerWaalsContact O-N 3.14Å; F517-L519 PolarHBondContact O-N 3.41Å; F517-T520 PolarHBondContact O-N 2.92Å; F517-R521 WeakPolarHBondContact O-CB 3.28Å; F517-R521 PolarHBondContact O-N 3.2Å; F517-H581 PolarHBondContact N-CE1 2.9Å; F517-R629 HydrophobicContact CB-CG 4.2Å; F517-R629 HydrophobicContact CD1-CB 3.86Å; F517-R629 HydrophobicContact CD1-CG 3.7Å; F517-R629 HydrophobicContact CE1-CB 3.89Å; F517-R629 HydrophobicContact CE1-CG 4.25Å; F517-R629 HydrophobicContact CG-CB 4.46Å; F517-R629 HydrophobicContact CG-CG 3.94Å; F517-L631 HydrophobicContact CZ-CD2 4.08Å; F517-P730 HydrophobicContact CD2-CG 4.46Å; F517-P730 HydrophobicContact CE2-CG 4.21Å
518L93.8Very high95.4Very high3 Ų328.7 Ų28.72%0.01614%0.138CC..Hα-helixtrans-63.3-22.1176.3-65.9175.5000112.9L483 L486 I515 G516 Y522 F634L483-L518 HydrophobicContact CD2-CD1 3.82Å; L486-L518 HydrophobicContact CD2-CB 3.89Å; I515-L518 HydrophobicContact CB-CD1 4.35Å; I515-L518 VanDerWaalsContact O-CB 3.3Å; I515-L518 WeakPolarHBondContact O-CB 3.38Å; I515-L518 WeakPolarHBondContact O-CG 3.37Å; I515-L518 PolarHBondContact O-N 3.49Å; G516-L518 PolarHBondContact O-N 3.32Å; L518-Y522 WeakPolarHBondContact O-CD2 3.5Å; L518-F634 HydrophobicContact CD2-CZ 4.38Å
519L94.8Very high95.6Very high13 Ų1324.4 Ų24.47%0.06812%0.119CC..Hα-helixtrans-92.3-55.2171.8-65.3-175.8000111.5F495 V498 Y502 G516 F517 R521 Y522 A523F495-L519 HydrophobicContact CE2-CD2 4.28Å; F495-L519 HydrophobicContact CZ-CB 4.29Å; F495-L519 HydrophobicContact CZ-CD2 3.83Å; V498-L519 HydrophobicContact CG1-CD2 3.53Å; Y502-L519 HydrophobicContact CD1-CD1 3.41Å; Y502-L519 VanDerWaalsContact CD1-CD1 3.41Å; Y502-L519 HydrophobicContact CD1-CD2 4.48Å; Y502-L519 HydrophobicContact CD1-CG 4.12Å; Y502-L519 HydrophobicContact CD2-CD1 3.91Å; Y502-L519 HydrophobicContact CD2-CD2 3.88Å; Y502-L519 HydrophobicContact CD2-CG 3.66Å; Y502-L519 HydrophobicContact CE1-CD1 3.6Å; Y502-L519 HydrophobicContact CE1-CG 4.35Å; Y502-L519 HydrophobicContact CE2-CD1 4.08Å; Y502-L519 HydrophobicContact CE2-CG 3.92Å; Y502-L519 HydrophobicContact CG-CD1 3.57Å; Y502-L519 HydrophobicContact CG-CD2 3.8Å; Y502-L519 HydrophobicContact CG-CG 3.76Å; G516-L519 PolarHBondContact O-N 3.18Å; F517-L519 PolarHBondContact O-N 3.41Å; L519-R521 PolarHBondContact O-N 3.08Å; L519-Y522 PolarHBondContact O-N 3.1Å; L519-A523 WeakPolarHBondContact O-CB 3.48Å; L519-A523 PolarHBondContact O-N 2.85Å
520T94.8Very high95.8Very high27 Ų2720.5 Ų20.517%0.16611%0.107CC..Hα-helixtrans-67.3-24.5-168.466.60000112.5G516 F517 Y522 H581 V585G516-T520 PolarHBondContact O-N 3.31Å; F517-T520 PolarHBondContact O-N 2.92Å; T520-Y522 VanDerWaalsContact C-N 3.32Å; T520-H581 PolarHBondContact OG1-CE1 3.39Å; T520-V585 HydrophobicContact CG2-CG2 3.92Å
521R94.3Very high95.8Very high35 Ų3517.2 Ų17.213%0.1329%0.092CC..THydrogen-bonded Turntrans-66.6-33.5175.4177.865.2-166.584.86112.5F517 L519 S525 P730 S731 T732F517-R521 WeakPolarHBondContact O-CB 3.28Å; F517-R521 PolarHBondContact O-N 3.2Å; L519-R521 PolarHBondContact O-N 3.08Å; R521-S525 PolarHBondContact O-OG 3.1Å; R521-P730 HydrophobicContact CG-CB 4.48Å; R521-P730 HydrophobicContact CG-CG 4.06Å; R521-S731 VanDerWaalsContact CZ-O 3.26Å; R521-S731 PolarHBondContact NE-O 3.44Å; R521-S731 PolarHBondContact NH2-O 3.46Å; R521-T732 VanDerWaalsContact NH2-CA 3.34Å; R521-T732 PolarHBondContact NH2-O 3.23Å
522Y95.9Very high95.9Very high15 Ų1513.7 Ų13.76%0.0598%0.076CC..THydrogen-bonded Turntrans-113.3-30.1-166.3-67.1-73.7000114.4C490 L518 L519 T520 E524 S525 L526 P730C490-Y522 HydrophobicContact CB-CD1 3.84Å; C490-Y522 HydrophobicContact CB-CD2 3.87Å; C490-Y522 HydrophobicContact CB-CE1 3.93Å; C490-Y522 HydrophobicContact CB-CE2 3.95Å; C490-Y522 HydrophobicContact CB-CG 3.79Å; C490-Y522 VanDerWaalsContact SG-CD2 3.57Å; L518-Y522 WeakPolarHBondContact O-CD2 3.5Å; L519-Y522 PolarHBondContact O-N 3.1Å; T520-Y522 VanDerWaalsContact C-N 3.32Å; Y522-E524 PolarHBondContact O-N 3.28Å; Y522-S525 VanDerWaalsContact CA-OG 3.31Å; Y522-S525 WeakPolarHBondContact CA-OG 3.4Å; Y522-S525 PolarHBondContact O-N 2.95Å; Y522-S525 PolarHBondContact O-OG 2.99Å; Y522-L526 WeakPolarHBondContact O-CB 3.49Å; Y522-L526 WeakPolarHBondContact O-CG 3.39Å; Y522-L526 PolarHBondContact O-N 2.64Å; Y522-P730 WeakPolarHBondContact OH-CB 3.1Å
523A94.9Very high95.9Very high0 Ų013.5 Ų13.50%08%0.078CC..THydrogen-bonded Turntrans-56.9-52.1-171.600000112.7F495 L519 Q528 A532F495-A523 HydrophobicContact CD1-CB 4.05Å; F495-A523 HydrophobicContact CE1-CB 3.35Å; F495-A523 HydrophobicContact CE2-CB 4.02Å; F495-A523 HydrophobicContact CZ-CB 3.34Å; L519-A523 WeakPolarHBondContact O-CB 3.48Å; L519-A523 PolarHBondContact O-N 2.85Å; A523-Q528 WeakPolarHBondContact O-CB 3.47Å; A523-Q528 PolarHBondContact O-N 3.33Å; A523-A532 VanDerWaalsContact CB-CA 3.43Å; A523-A532 HydrophobicContact CB-CB 3.53Å
524E94.9Very high95.8Very high12 Ų1217.9 Ų17.96%0.05610%0.098CC..THydrogen-bonded Turntrans-73.8-39.7-179.4173-86.8172.200111Y522 L526 G527 F529 A532 L592 R663 R733 V815 E819Y522-E524 PolarHBondContact O-N 3.28Å; E524-L526 PolarHBondContact O-N 2.85Å; E524-G527 PolarHBondContact O-N 3.24Å; E524-F529 HydrophobicContact CG-CD1 4.4Å; E524-F529 HydrophobicContact CG-CE1 4.3Å; E524-A532 HydrophobicContact CB-CB 3.8Å; E524-L592 HydrophobicContact CB-CD2 4.2Å; E524-L592 HydrophobicContact CG-CD2 3.68Å; E524-L592 HydrophobicContact CG-CG 4.33Å; E524-R663 IonicContact OE1-NH2 3.83Å; E524-R733 IonicContact OE1-CZ 3.9Å; E524-R733 IonicContact OE1-NH1 3.89Å; E524-R733 PolarHBondContact OE1-NH1 2.85Å; E524-R733 IonicContact OE2-CZ 3.08Å; E524-R733 IonicContact OE2-NH1 3.58Å; E524-R733 PolarHBondContact OE2-NH1 3.35Å; E524-V815 WeakPolarHBondContact O-CG1 3.31Å; E524-E819 VanDerWaalsContact OE1-CD 3.26Å
525S95.8Very high95.7Very high2 Ų216.6 Ų16.61%0.0149%0.09CC..THydrogen-bonded Turntrans-63.2-26.2-179.669.40000114R521 Y522 R733R521-S525 PolarHBondContact O-OG 3.1Å; Y522-S525 VanDerWaalsContact CA-OG 3.31Å; Y522-S525 WeakPolarHBondContact CA-OG 3.4Å; Y522-S525 PolarHBondContact O-N 2.95Å; Y522-S525 PolarHBondContact O-OG 2.99Å; S525-R733 VanDerWaalsContact CB-CD 3.45Å
526L97.3Very high95.7Very high8 Ų816.1 Ų16.14%0.0429%0.088CC..THydrogen-bonded Turntrans-98.712.4177.6-61.8176.4000112.4F495 Y522 E524 Q528 L811 S923F495-L526 HydrophobicContact CB-CB 4.34Å; F495-L526 HydrophobicContact CB-CD1 3.92Å; F495-L526 HydrophobicContact CD2-CD1 4.39Å; Y522-L526 WeakPolarHBondContact O-CB 3.49Å; Y522-L526 WeakPolarHBondContact O-CG 3.39Å; Y522-L526 PolarHBondContact O-N 2.64Å; E524-L526 PolarHBondContact O-N 2.85Å; L526-Q528 VanDerWaalsContact C-N 3.34Å; L526-Q528 PolarHBondContact O-N 3.15Å; L526-L811 HydrophobicContact CD2-CD2 4.43Å; L526-S923 WeakPolarHBondContact O-CB 3.44Å; L526-S923 PolarHBondContact O-OG 3.44Å
527G96.3Very high95.6Very high0 Ų018.4 Ų18.40%010%0.1CC..THydrogen-bonded Turntrans75.516.1172.100000115.2E524 F529 E926E524-G527 PolarHBondContact O-N 3.24Å; G527-F529 PolarHBondContact O-N 3.48Å; G527-E926 WeakPolarHBondContact O-CB 3.29Å
528Q96.9Very high95.5Very high8 Ų822.4 Ų22.44%0.03712%0.118CC..  trans-95.869.7177.1-65-72.8-21.100110.1F495 A523 L526 S530 A531 A532 S919 S923F495-Q528 HydrophobicContact CB-CG 4.04Å; F495-Q528 HydrophobicContact CD1-CB 3.94Å; F495-Q528 HydrophobicContact CD1-CG 4.12Å; F495-Q528 HydrophobicContact CG-CG 4.5Å; A523-Q528 WeakPolarHBondContact O-CB 3.47Å; A523-Q528 PolarHBondContact O-N 3.33Å; L526-Q528 VanDerWaalsContact C-N 3.34Å; L526-Q528 PolarHBondContact O-N 3.15Å; Q528-S530 VanDerWaalsContact C-N 3.32Å; Q528-S530 PolarHBondContact O-N 3.42Å; Q528-A531 HydrophobicContact CB-CB 4.16Å; Q528-A531 PolarHBondContact O-N 2.88Å; Q528-A532 WeakPolarHBondContact O-CB 3.32Å; Q528-A532 PolarHBondContact O-N 3.17Å; Q528-S919 PolarHBondContact NE2-O 3.49Å; Q528-S923 VanDerWaalsContact NE2-N 3.11Å; Q528-S923 PolarHBondContact NE2-OG 3.43Å
529F97.3Very high95.6Very high9 Ų922.4 Ų22.44%0.03912%0.118CC..Hα-helixtrans-65.1-34.2-171.1-56.2-57.9000113.2E524 G527 A532 S533 L592 L596 V815 L818 E926 V927 L930E524-F529 HydrophobicContact CG-CD1 4.4Å; E524-F529 HydrophobicContact CG-CE1 4.3Å; G527-F529 PolarHBondContact O-N 3.48Å; F529-A532 PolarHBondContact O-N 3.44Å; F529-S533 WeakPolarHBondContact O-CB 3.16Å; F529-S533 PolarHBondContact O-N 3.05Å; F529-L592 HydrophobicContact CD1-CD2 3.83Å; F529-L596 HydrophobicContact CB-CD1 4.33Å; F529-L596 HydrophobicContact CB-CD2 3.91Å; F529-L596 HydrophobicContact CD2-CD2 4.44Å; F529-L596 HydrophobicContact CG-CD2 4.23Å; F529-V815 HydrophobicContact CE1-CG1 4.4Å; F529-V815 HydrophobicContact CZ-CG1 4.4Å; F529-L818 HydrophobicContact CE1-CD2 4.41Å; F529-L818 HydrophobicContact CE2-CD2 3.62Å; F529-L818 HydrophobicContact CZ-CD2 3.37Å; F529-E926 HydrophobicContact CD2-CB 4.19Å; F529-E926 PolarHBondContact N-OE2 3.48Å; F529-V927 HydrophobicContact CE2-CG2 3.88Å; F529-V927 HydrophobicContact CZ-CG2 4.09Å; F529-L930 HydrophobicContact CD2-CD2 4.47Å; F529-L930 HydrophobicContact CE2-CD2 4.31Å
530S95.6Very high95.6Very high57 Ų5722.8 Ų22.840%0.39912%0.12SC..Hα-helixtrans-61.2-47.8174-1780000111.5Q528 S533 Q534 E926Q528-S530 VanDerWaalsContact C-N 3.32Å; Q528-S530 PolarHBondContact O-N 3.42Å; S530-S533 WeakPolarHBondContact O-CB 3.42Å; S530-S533 PolarHBondContact O-N 2.89Å; S530-Q534 WeakPolarHBondContact O-CG 3.39Å; S530-Q534 PolarHBondContact O-N 3.17Å; S530-Q534 VanDerWaalsContact O-N 3.09Å; S530-E926 PolarHBondContact N-OE2 3.28Å
531A96.2Very high95.5Very high10 Ų1028.6 Ų28.68%0.08314%0.139CC..Hα-helixtrans-68.7-37.917900000112F495 V499 Q528 S533 Q534 S535F495-A531 HydrophobicContact CD1-CB 4.16Å; F495-A531 HydrophobicContact CE1-CB 3.77Å; V499-A531 HydrophobicContact CG2-CB 3.75Å; Q528-A531 HydrophobicContact CB-CB 4.16Å; Q528-A531 PolarHBondContact O-N 2.88Å; A531-S533 VanDerWaalsContact C-N 3.32Å; A531-S533 PolarHBondContact O-N 3.43Å; A531-Q534 PolarHBondContact O-N 2.97Å; A531-S535 WeakPolarHBondContact O-CB 3.19Å; A531-S535 PolarHBondContact O-N 3.18Å; A531-S535 PolarHBondContact O-OG 2.96Å
532A97.1Very high95.6Very high2 Ų228 Ų282%0.01714%0.137CC..Hα-helixtrans-60.9-43.3174.300000111.6A523 E524 Q528 F529 S535 C536 L592A523-A532 VanDerWaalsContact CB-CA 3.43Å; A523-A532 HydrophobicContact CB-CB 3.53Å; E524-A532 HydrophobicContact CB-CB 3.8Å; Q528-A532 WeakPolarHBondContact O-CB 3.32Å; Q528-A532 PolarHBondContact O-N 3.17Å; F529-A532 PolarHBondContact O-N 3.44Å; A532-S535 PolarHBondContact O-N 3.33Å; A532-C536 PolarHBondContact O-N 3.47Å; A532-C536 PolarHBondContact O-SG 2.99Å; A532-L592 HydrophobicContact CB-CD1 3.78Å; A532-L592 HydrophobicContact CB-CD2 4.49Å
533S96.5Very high95.5Very high24 Ų2427.3 Ų27.317%0.16814%0.135CC..Hα-helixtrans-59.6-47.7177170.10000111.9F529 S530 A531 N537 R589F529-S533 WeakPolarHBondContact O-CB 3.16Å; F529-S533 PolarHBondContact O-N 3.05Å; S530-S533 WeakPolarHBondContact O-CB 3.42Å; S530-S533 PolarHBondContact O-N 2.89Å; A531-S533 VanDerWaalsContact C-N 3.32Å; A531-S533 PolarHBondContact O-N 3.43Å; S533-N537 WeakPolarHBondContact O-CB 3.47Å; S533-N537 VanDerWaalsContact O-CG 3.31Å; S533-N537 PolarHBondContact O-N 2.85Å; S533-N537 VanDerWaalsContact O-N 3.09Å; S533-N537 PolarHBondContact O-ND2 2.95Å; S533-R589 PolarHBondContact O-NH1 2.86Å; S533-R589 PolarHBondContact OG-NH1 2.92Å
534Q95Very high95.3Very high94 Ų9430.9 Ų30.944%0.43915%0.151SC..Hα-helixtrans-65-45177.5-68177.719.300112S530 A531 C536 N537 F538S530-Q534 WeakPolarHBondContact O-CG 3.39Å; S530-Q534 PolarHBondContact O-N 3.17Å; S530-Q534 VanDerWaalsContact O-N 3.09Å; A531-Q534 PolarHBondContact O-N 2.97Å; Q534-C536 PolarHBondContact O-N 3.39Å; Q534-N537 WeakPolarHBondContact O-CB 3.38Å; Q534-N537 PolarHBondContact O-N 3.3Å; Q534-N537 VanDerWaalsContact O-N 3.14Å; Q534-F538 HydrophobicContact CB-CE2 4.14Å; Q534-F538 WeakPolarHBondContact O-CD2 3.35Å; Q534-F538 WeakPolarHBondContact O-CG 3.24Å; Q534-F538 PolarHBondContact O-N 3.07Å
535S95.1Very high95Very high8 Ų833.1 Ų33.16%0.05617%0.168CC..Hα-helixtrans-57.9-47.2178.6-57.50000111.5A531 A532 N537 F538 S539A531-S535 WeakPolarHBondContact O-CB 3.19Å; A531-S535 PolarHBondContact O-N 3.18Å; A531-S535 PolarHBondContact O-OG 2.96Å; A532-S535 PolarHBondContact O-N 3.33Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3.17Å; S535-F538 PolarHBondContact O-N 2.91Å; S535-S539 PolarHBondContact O-N 3.45Å
536C96.7Very high94.7Very high3 Ų334.1 Ų34.12%0.0217%0.173CC..Hα-helixtrans-62.1-42.3176.3-66.20000111.9A532 Q534 F538 S539 L540 V585 R589A532-C536 PolarHBondContact O-N 3.47Å; A532-C536 PolarHBondContact O-SG 2.99Å; Q534-C536 PolarHBondContact O-N 3.39Å; C536-F538 PolarHBondContact O-N 3.33Å; C536-S539 PolarHBondContact O-N 3.09Å; C536-L540 WeakPolarHBondContact O-CG 3.34Å; C536-L540 PolarHBondContact O-N 3.08Å; C536-V585 HydrophobicContact CB-CG1 3.81Å; C536-V585 WeakPolarHBondContact O-CG1 3.36Å; C536-R589 HydrophobicContact CB-CB 4.13Å
537N94.2Very high94.1Very high49 Ų4936.2 Ų36.226%0.26218%0.183SC..Hα-helixtrans-64-38.4179.3-79.5-39.6000112.8S533 Q534 S535 R541S533-N537 WeakPolarHBondContact O-CB 3.47Å; S533-N537 VanDerWaalsContact O-CG 3.31Å; S533-N537 PolarHBondContact O-N 2.85Å; S533-N537 VanDerWaalsContact O-N 3.09Å; S533-N537 PolarHBondContact O-ND2 2.95Å; Q534-N537 WeakPolarHBondContact O-CB 3.38Å; Q534-N537 PolarHBondContact O-N 3.3Å; Q534-N537 VanDerWaalsContact O-N 3.14Å; S535-N537 VanDerWaalsContact C-N 3.34Å; S535-N537 PolarHBondContact O-N 3.17Å; N537-R541 WeakPolarHBondContact O-CB 3.46Å; N537-R541 WeakPolarHBondContact O-CG 3.3Å; N537-R541 PolarHBondContact O-N 3.32Å
538F92.5Very high93.4Very high91 Ų9140.7 Ų40.740%0.39920%0.202SC..Hα-helixtrans-62.9-47.7175.2-66-48.4000111.5Q534 S535 C536 R541 F542Q534-F538 HydrophobicContact CB-CE2 4.14Å; Q534-F538 WeakPolarHBondContact O-CD2 3.35Å; Q534-F538 WeakPolarHBondContact O-CG 3.24Å; Q534-F538 PolarHBondContact O-N 3.07Å; S535-F538 PolarHBondContact O-N 2.91Å; C536-F538 PolarHBondContact O-N 3.33Å; F538-R541 PolarHBondContact O-N 2.9Å; F538-F542 PolarHBondContact O-N 2.94Å
539S95.1Very high92.9Very high3 Ų343.7 Ų43.72%0.02122%0.218CC..Hα-helixtrans-63.5-45.4177.5-66.10000112.4S535 C536 R541 F542 F543 H581S535-S539 PolarHBondContact O-N 3.45Å; C536-S539 PolarHBondContact O-N 3.09Å; S539-R541 PolarHBondContact O-N 3.38Å; S539-F542 WeakPolarHBondContact O-CB 3.39Å; S539-F542 PolarHBondContact O-N 3.06Å; S539-F542 VanDerWaalsContact O-N 3.16Å; S539-F543 WeakPolarHBondContact O-CD2 3.22Å; S539-F543 PolarHBondContact O-N 3.48Å; S539-H581 PolarHBondContact OG-NE2 3.22Å
540L95.1Very high92.4Very high21 Ų2143.7 Ų43.711%0.1122%0.219CC..Hα-helixtrans-62.2-40.7177.8-70.9174.6000112.9C536 F542 F543 H544 F582 V585 R586 R589C536-L540 WeakPolarHBondContact O-CG 3.34Å; C536-L540 PolarHBondContact O-N 3.08Å; L540-F542 VanDerWaalsContact C-N 3.26Å; L540-F542 PolarHBondContact O-N 3.37Å; L540-F543 PolarHBondContact O-N 2.93Å; L540-H544 WeakPolarHBondContact O-CB 3.43Å; L540-H544 PolarHBondContact O-N 3.13Å; L540-F582 HydrophobicContact CD2-CD2 4.15Å; L540-F582 HydrophobicContact CD2-CE2 3.8Å; L540-V585 HydrophobicContact CD1-CG1 4.32Å; L540-V585 HydrophobicContact CD2-CG1 3.88Å; L540-V585 HydrophobicContact CG-CG1 3.64Å; L540-R586 HydrophobicContact CD2-CB 4.26Å; L540-R589 HydrophobicContact CD1-CB 3.87Å; L540-R589 HydrophobicContact CD1-CG 3.73Å
541R93.9Very high91.8Very high149 Ų14941.6 Ų41.656%0.56221%0.205SC*.Hα-helixtrans-59-41175.5-76174.2-159.7162.26.8111.1N537 F538 S539 S545N537-R541 WeakPolarHBondContact O-CB 3.46Å; N537-R541 WeakPolarHBondContact O-CG 3.3Å; N537-R541 PolarHBondContact O-N 3.32Å; F538-R541 PolarHBondContact O-N 2.9Å; S539-R541 PolarHBondContact O-N 3.38Å; R541-S545 WeakPolarHBondContact O-CB 3.41Å; R541-S545 PolarHBondContact O-N 3Å; R541-S545 PolarHBondContact O-OG 3.43Å
542F94.9Very high91.3Very high22 Ų2243 Ų4310%0.09621%0.209CC..Hα-helixtrans-61.6-53.4174.7161.2-105.5000111.6H509 I510 H512 D513 F538 S539 L540 H544 S545 N546 L576H509-F542 HydrophobicContact CB-CD2 4.36Å; H509-F542 HydrophobicContact CB-CE2 4.34Å; H509-F542 VanDerWaalsContact O-CD2 3.28Å; H509-F542 WeakPolarHBondContact O-CD2 3.09Å; H509-F542 WeakPolarHBondContact O-CE2 3.38Å; H509-F542 WeakPolarHBondContact O-CG 3.49Å; I510-F542 HydrophobicContact CD1-CZ 4.04Å; H512-F542 HydrophobicContact CB-CB 4.19Å; H512-F542 HydrophobicContact CB-CD1 4.13Å; H512-F542 HydrophobicContact CB-CG 4.25Å; D513-F542 HydrophobicContact CB-CE1 3.99Å; F538-F542 PolarHBondContact O-N 2.94Å; S539-F542 WeakPolarHBondContact O-CB 3.39Å; S539-F542 PolarHBondContact O-N 3.06Å; S539-F542 VanDerWaalsContact O-N 3.16Å; L540-F542 VanDerWaalsContact C-N 3.26Å; L540-F542 PolarHBondContact O-N 3.37Å; F542-H544 PolarHBondContact O-N 3.18Å; F542-S545 PolarHBondContact O-N 3.41Å; F542-N546 HydrophobicContact CE2-CB 4.3Å; F542-N546 HydrophobicContact CZ-CB 4.49Å; F542-N546 VanDerWaalsContact O-CB 3.3Å; F542-N546 WeakPolarHBondContact O-CB 3.45Å; F542-N546 PolarHBondContact O-N 3.06Å; F542-L576 HydrophobicContact CE1-CD2 4.49Å; F542-L576 HydrophobicContact CZ-CD1 4.38Å; F542-L576 HydrophobicContact CZ-CD2 4.37Å
543F94.1Very high91Very high1 Ų148.9 Ų48.90%0.00423%0.232CC..Hα-helixtrans-62-43.9-177-70.5-67.7000112.9D513 S539 L540 N546 Q547 F582D513-F543 HydrophobicContact CB-CE1 4.11Å; D513-F543 HydrophobicContact CB-CZ 3.91Å; D513-F543 VanDerWaalsContact OD1-CZ 3.23Å; D513-F543 WeakPolarHBondContact OD1-CZ 3.32Å; S539-F543 WeakPolarHBondContact O-CD2 3.22Å; S539-F543 PolarHBondContact O-N 3.48Å; L540-F543 PolarHBondContact O-N 2.93Å; F543-N546 PolarHBondContact O-N 3.24Å; F543-Q547 WeakPolarHBondContact O-CG 3.44Å; F543-Q547 PolarHBondContact O-N 2.94Å; F543-F582 HydrophobicContact CB-CD1 4.49Å; F543-F582 HydrophobicContact CB-CD2 3.5Å; F543-F582 VanDerWaalsContact CB-CD2 3.5Å; F543-F582 HydrophobicContact CB-CE1 4.49Å; F543-F582 HydrophobicContact CB-CE2 3.5Å; F543-F582 VanDerWaalsContact CB-CE2 3.5Å; F543-F582 HydrophobicContact CB-CG 4.03Å; F543-F582 HydrophobicContact CB-CZ 4.03Å; F543-F582 HydrophobicContact CD1-CB 3.84Å; F543-F582 HydrophobicContact CD1-CD1 4.46Å; F543-F582 HydrophobicContact CD1-CD2 4.11Å; F543-F582 AromaticContact CD1-CG 3.89Å; F543-F582 HydrophobicContact CD1-CG 3.89Å; F543-F582 HydrophobicContact CD2-CB 3.86Å; F543-F582 AromaticContact CD2-CD2 3.31Å; F543-F582 HydrophobicContact CD2-CD2 3.31Å; F543-F582 HydrophobicContact CD2-CE2 4.11Å; F543-F582 AromaticContact CD2-CG 3.83Å; F543-F582 HydrophobicContact CD2-CG 3.83Å; F543-F582 HydrophobicContact CE1-CB 3.72Å; F543-F582 HydrophobicContact CE1-CG 4.3Å; F543-F582 HydrophobicContact CE2-CB 3.75Å; F543-F582 HydrophobicContact CE2-CD2 4.03Å; F543-F582 HydrophobicContact CE2-CG 4.24Å; F543-F582 HydrophobicContact CG-CB 3.92Å; F543-F582 HydrophobicContact CG-CD1 4.41Å; F543-F582 AromaticContact CG-CD2 3.37Å; F543-F582 HydrophobicContact CG-CD2 3.37Å; F543-F582 AromaticContact CG-CE2 3.95Å; F543-F582 HydrophobicContact CG-CE2 3.95Å; F543-F582 AromaticContact CG-CG 3.65Å; F543-F582 HydrophobicContact CG-CG 3.65Å; F543-F582 HydrophobicContact CZ-CB 3.67Å; F543-F582 HydrophobicContact CZ-CG 4.46Å
544H90Very high90.6Very high76 Ų7647.9 Ų47.935%0.35223%0.225SC..Hα-helixtrans-66.8-38.5177.3-65.7162.8000112.5L540 F542 K548L540-H544 WeakPolarHBondContact O-CB 3.43Å; L540-H544 PolarHBondContact O-N 3.13Å; F542-H544 PolarHBondContact O-N 3.18Å; H544-K548 PolarHBondContact O-N 2.94Å
545S89.5Confident90.3Very high58 Ų5843.7 Ų43.741%0.40621%0.206SC..Hα-helixtrans-66.2-43175.1-56.90000110.8R541 F542 Q547 K548 D549R541-S545 WeakPolarHBondContact O-CB 3.41Å; R541-S545 PolarHBondContact O-N 3Å; R541-S545 PolarHBondContact O-OG 3.43Å; F542-S545 PolarHBondContact O-N 3.41Å; S545-Q547 PolarHBondContact O-N 2.68Å; S545-K548 WeakPolarHBondContact O-CB 3.23Å; S545-K548 PolarHBondContact O-N 2.84Å; S545-K548 VanDerWaalsContact O-N 3.12Å; S545-D549 WeakPolarHBondContact O-CB 3.26Å; S545-D549 PolarHBondContact O-N 3.05Å
546N88.9Confident90.2Very high23 Ų2347 Ų4712%0.12322%0.22CC..Hα-helixtrans-59.4-45.1177.8179.374.2000112.2F542 F543 K548 D549 T550 L576F542-N546 HydrophobicContact CE2-CB 4.3Å; F542-N546 HydrophobicContact CZ-CB 4.49Å; F542-N546 VanDerWaalsContact O-CB 3.3Å; F542-N546 WeakPolarHBondContact O-CB 3.45Å; F542-N546 PolarHBondContact O-N 3.06Å; F543-N546 PolarHBondContact O-N 3.24Å; N546-K548 PolarHBondContact O-N 3.44Å; N546-D549 PolarHBondContact O-N 3.35Å; N546-T550 WeakPolarHBondContact O-CB 3.25Å; N546-T550 PolarHBondContact O-N 3.38Å; N546-T550 PolarHBondContact O-OG1 3Å; N546-T550 PolarHBondContact OD1-OG1 3.42Å; N546-T550 VanDerWaalsContact OD1-OG1 3.06Å; N546-L576 WeakPolarHBondContact ND2-CD1 3.4Å; N546-L576 WeakPolarHBondContact OD1-CD1 3.47Å
547Q84.4Confident90Very high53 Ų5347 Ų4725%0.24822%0.22CC..Hα-helixtrans-53.5-41.6175.3-77.9173.6-0.600112.7F543 S545 S551 N577F543-Q547 WeakPolarHBondContact O-CG 3.44Å; F543-Q547 PolarHBondContact O-N 2.94Å; S545-Q547 PolarHBondContact O-N 2.68Å; Q547-S551 PolarHBondContact O-OG 2.9Å; Q547-N577 WeakPolarHBondContact CG-OD1 3.4Å; Q547-N577 PolarHBondContact NE2-OD1 3.02Å
548K82.7Confident90Very high94 Ų9444.9 Ų44.941%0.40921%0.209SC..Hα-helixtrans-72.6-46.6178-178.4-178174.8-176.90112H544 S545 N546H544-K548 PolarHBondContact O-N 2.94Å; S545-K548 WeakPolarHBondContact O-CB 3.23Å; S545-K548 PolarHBondContact O-N 2.84Å; S545-K548 VanDerWaalsContact O-N 3.12Å; N546-K548 PolarHBondContact O-N 3.44Å
549D86.8Confident89.9Confident70 Ų7046.6 Ų46.637%0.37422%0.216SC..Hα-helixtrans-76.9-43.8-170-66.4-16000112S545 N546 S551 E552 Y553S545-D549 WeakPolarHBondContact O-CB 3.26Å; S545-D549 PolarHBondContact O-N 3.05Å; N546-D549 PolarHBondContact O-N 3.35Å; D549-S551 PolarHBondContact O-N 3Å; D549-E552 PolarHBondContact O-N 3.17Å; D549-Y553 HydrophobicContact CB-CD2 4.4Å; D549-Y553 HydrophobicContact CB-CE2 3.95Å; D549-Y553 WeakPolarHBondContact O-CD2 3.37Å; D549-Y553 PolarHBondContact O-N 3.25Å
550T86.4Confident89.8Confident9 Ų955.4 Ų55.46%0.05525%0.25CC..Hα-helixtrans-58.2-36.4177.4-46.40000111.5N546 E552 Y553 I554 R573N546-T550 WeakPolarHBondContact O-CB 3.25Å; N546-T550 PolarHBondContact O-N 3.38Å; N546-T550 PolarHBondContact O-OG1 3Å; N546-T550 PolarHBondContact OD1-OG1 3.42Å; N546-T550 VanDerWaalsContact OD1-OG1 3.06Å; T550-E552 VanDerWaalsContact C-N 3.3Å; T550-E552 PolarHBondContact O-N 3.4Å; T550-Y553 PolarHBondContact O-N 3.48Å; T550-I554 HydrophobicContact CG2-CD1 4.25Å; T550-I554 WeakPolarHBondContact O-CD1 3.3Å; T550-I554 VanDerWaalsContact O-CG1 3.31Å; T550-I554 WeakPolarHBondContact O-CG1 3.31Å; T550-I554 PolarHBondContact O-N 2.96Å; T550-R573 HydrophobicContact CG2-CB 3.79Å; T550-R573 HydrophobicContact CG2-CG 4.27Å
551S83.3Confident89.6Confident13 Ų1355.1 Ų55.19%0.09125%0.252CS..Hα-helixtrans-64.6-32.5176.9-57.40000112.8Q547 D549 I555Q547-S551 PolarHBondContact O-OG 2.9Å; D549-S551 PolarHBondContact O-N 3Å; S551-I555 PolarHBondContact O-N 3.12Å
552E85.1Confident89.6Confident40 Ų4049.6 Ų49.619%0.18724%0.239CC..Hα-helixtrans-76.8-35.8173.3-64.4-58.8143.300112.1R62 R97 D549 T550 I554 I555 Q556R62-E552 IonicContact CZ-OE1 2.8Å; R62-E552 IonicContact NE-OE1 2.7Å; R62-E552 PolarHBondContact NE-OE1 3.1Å; R62-E552 IonicContact NH1-OE1 2.67Å; R62-E552 VanDerWaalsContact NH2-CG 3.28Å; R62-E552 IonicContact NH2-OE1 2.62Å; R62-E552 PolarHBondContact NH2-OE1 2.84Å; R97-E552 IonicContact CZ-OE1 3.78Å; R97-E552 VanDerWaalsContact CZ-OE1 3.32Å; R97-E552 IonicContact NE-OE1 2.78Å; R97-E552 PolarHBondContact NE-OE1 3.41Å; R97-E552 IonicContact NH2-OE1 3.85Å; R97-E552 PolarHBondContact NH2-OE1 2.83Å; R97-E552 IonicContact NH2-OE2 2.85Å; D549-E552 PolarHBondContact O-N 3.17Å; T550-E552 VanDerWaalsContact C-N 3.3Å; T550-E552 PolarHBondContact O-N 3.4Å; E552-I554 VanDerWaalsContact C-N 3.31Å; E552-I554 PolarHBondContact O-N 3.39Å; E552-I555 WeakPolarHBondContact O-CB 3.5Å; E552-I555 PolarHBondContact O-N 3.48Å; E552-I555 VanDerWaalsContact O-N 3.17Å; E552-Q556 WeakPolarHBondContact O-CG 2.94Å; E552-Q556 PolarHBondContact O-N 3.04Å
553Y90Very high89.6Confident126 Ų12648.8 Ų48.849%0.49424%0.235SC..Hα-helixtrans-66.1-33.4175-66.4-58.3000112.5D549 T550 I555 Q556 A557D549-Y553 HydrophobicContact CB-CD2 4.4Å; D549-Y553 HydrophobicContact CB-CE2 3.95Å; D549-Y553 WeakPolarHBondContact O-CD2 3.37Å; D549-Y553 PolarHBondContact O-N 3.25Å; T550-Y553 PolarHBondContact O-N 3.48Å; Y553-I555 VanDerWaalsContact C-N 3.35Å; Y553-Q556 PolarHBondContact O-N 3.24Å; Y553-A557 PolarHBondContact O-N 3.45Å
554I89.6Confident89.4Confident3 Ų351.5 Ų51.52%0.01525%0.248CC..Hα-helixtrans-61.6-43.7170.4-68.9156000110.8T550 E552 Q556 A557 Y558 I566 F569 I570T550-I554 HydrophobicContact CG2-CD1 4.25Å; T550-I554 WeakPolarHBondContact O-CD1 3.3Å; T550-I554 VanDerWaalsContact O-CG1 3.31Å; T550-I554 WeakPolarHBondContact O-CG1 3.31Å; T550-I554 PolarHBondContact O-N 2.96Å; E552-I554 VanDerWaalsContact C-N 3.31Å; E552-I554 PolarHBondContact O-N 3.39Å; I554-Q556 VanDerWaalsContact C-N 3.34Å; I554-Q556 PolarHBondContact O-N 3.1Å; I554-A557 WeakPolarHBondContact O-CB 3.49Å; I554-A557 PolarHBondContact O-N 2.73Å; I554-Y558 HydrophobicContact CG2-CE2 4.31Å; I554-Y558 WeakPolarHBondContact O-CD2 3.32Å; I554-Y558 PolarHBondContact O-N 3.3Å; I554-I566 HydrophobicContact CG2-CG2 4.37Å; I554-F569 HydrophobicContact CD1-CB 4.47Å; I554-F569 HydrophobicContact CG1-CB 3.76Å; I554-F569 HydrophobicContact CG1-CD2 4.41Å; I554-I570 HydrophobicContact CD1-CD1 3.41Å; I554-I570 VanDerWaalsContact CD1-CD1 3.41Å; I554-I570 HydrophobicContact CD1-CG1 4.08Å; I554-I570 HydrophobicContact CG1-CD1 4.24Å
555I88Confident89.6Confident6 Ų651.2 Ų51.23%0.03125%0.245CC..Hα-helixtrans-61-43.5175-75.9163.9000111.1M93 A96 R97 S551 E552 Y553 A557 Y558 K559M93-I555 HydrophobicContact CB-CD1 4.15Å; M93-I555 HydrophobicContact CB-CG1 4.19Å; M93-I555 HydrophobicContact CB-CG2 4.33Å; M93-I555 HydrophobicContact CE-CG2 4.47Å; M93-I555 HydrophobicContact CG-CG2 3.97Å; M93-I555 HydrophobicContact SD-CB 4.12Å; M93-I555 HydrophobicContact SD-CG1 4.04Å; M93-I555 HydrophobicContact SD-CG2 3.54Å; M93-I555 VanDerWaalsContact SD-CG2 3.54Å; A96-I555 HydrophobicContact CB-CG1 4.23Å; R97-I555 HydrophobicContact CB-CD1 4.34Å; S551-I555 PolarHBondContact O-N 3.12Å; E552-I555 WeakPolarHBondContact O-CB 3.5Å; E552-I555 PolarHBondContact O-N 3.48Å; E552-I555 VanDerWaalsContact O-N 3.17Å; Y553-I555 VanDerWaalsContact C-N 3.35Å; I555-A557 VanDerWaalsContact C-N 3.32Å; I555-A557 PolarHBondContact O-N 3.4Å; I555-Y558 PolarHBondContact O-N 3.19Å; I555-K559 PolarHBondContact O-N 3.28Å
556Q91.9Very high89.8Confident78 Ų7848.5 Ų48.536%0.36423%0.226SC..Hα-helixtrans-65.2-35.6177.2-70.4179.618.600112.2E552 Y553 I554 Y558 K559 Y560E552-Q556 WeakPolarHBondContact O-CG 2.94Å; E552-Q556 PolarHBondContact O-N 3.04Å; Y553-Q556 PolarHBondContact O-N 3.24Å; I554-Q556 VanDerWaalsContact C-N 3.34Å; I554-Q556 PolarHBondContact O-N 3.1Å; Q556-Y558 VanDerWaalsContact C-N 3.31Å; Q556-Y558 PolarHBondContact O-N 2.92Å; Q556-K559 PolarHBondContact O-N 2.97Å; Q556-Y560 HydrophobicContact CB-CD2 4.1Å; Q556-Y560 HydrophobicContact CB-CE2 4.04Å; Q556-Y560 HydrophobicContact CG-CE2 4.44Å; Q556-Y560 VanDerWaalsContact O-CD2 3.23Å; Q556-Y560 WeakPolarHBondContact O-CD2 3.12Å; Q556-Y560 PolarHBondContact O-N 3.47Å
557A94.3Very high90Very high3 Ų348.3 Ų48.33%0.02523%0.227CC..Hα-helixtrans-60.7-38.5176.800000112.4Y553 I554 I555 G561 A562 I566 F569Y553-A557 PolarHBondContact O-N 3.45Å; I554-A557 WeakPolarHBondContact O-CB 3.49Å; I554-A557 PolarHBondContact O-N 2.73Å; I555-A557 VanDerWaalsContact C-N 3.32Å; I555-A557 PolarHBondContact O-N 3.4Å; A557-G561 PolarHBondContact O-N 2.94Å; A557-G561 VanDerWaalsContact O-N 3.09Å; A557-A562 HydrophobicContact CB-CB 4.24Å; A557-A562 PolarHBondContact O-N 2.91Å; A557-I566 HydrophobicContact CB-CD1 4.27Å; A557-I566 HydrophobicContact CB-CG1 3.56Å; A557-F569 HydrophobicContact CB-CD2 4.24Å; A557-F569 HydrophobicContact CB-CE2 4.07Å
558Y92.9Very high90.5Very high3 Ų350.3 Ų50.31%0.01224%0.236CC..Hα-helixtrans-62.8-44170.3-80.6-83.8000112.1F92 M104 W123 M126 I554 I555 Q556 G561 F563 I566F92-Y558 AromaticContact CE1-CD1 3.9Å; F92-Y558 HydrophobicContact CE1-CD1 3.9Å; F92-Y558 HydrophobicContact CE1-CD2 4.41Å; F92-Y558 HydrophobicContact CE1-CE1 4.19Å; F92-Y558 HydrophobicContact CE1-CG 4.03Å; F92-Y558 AromaticContact CZ-CD1 3.89Å; F92-Y558 HydrophobicContact CZ-CD1 3.89Å; F92-Y558 AromaticContact CZ-CE1 3.8Å; F92-Y558 HydrophobicContact CZ-CE1 3.8Å; F92-Y558 HydrophobicContact CZ-CG 4.46Å; M104-Y558 HydrophobicContact CE-CE1 4.2Å; M104-Y558 HydrophobicContact CE-CE2 3.76Å; M104-Y558 WeakPolarHBondContact CE-OH 3.44Å; W123-Y558 HydrophobicContact CB-CD1 4.31Å; W123-Y558 AromaticContact CD1-CD1 3.89Å; W123-Y558 HydrophobicContact CG-CD1 4.03Å; W123-Y558 PolarHBondContact NE1-O 2.92Å; M126-Y558 HydrophobicContact CB-CE1 3.8Å; M126-Y558 HydrophobicContact CG-CD1 4.49Å; M126-Y558 HydrophobicContact CG-CE1 3.62Å; I554-Y558 HydrophobicContact CG2-CE2 4.31Å; I554-Y558 WeakPolarHBondContact O-CD2 3.32Å; I554-Y558 PolarHBondContact O-N 3.3Å; I555-Y558 PolarHBondContact O-N 3.19Å; Q556-Y558 VanDerWaalsContact C-N 3.31Å; Q556-Y558 PolarHBondContact O-N 2.92Å; Y558-G561 PolarHBondContact O-N 2.92Å; Y558-F563 HydrophobicContact CD1-CE1 4.12Å; Y558-I566 HydrophobicContact CD1-CD1 4.01Å; Y558-I566 HydrophobicContact CD2-CD1 3.7Å; Y558-I566 HydrophobicContact CD2-CG1 4.45Å; Y558-I566 HydrophobicContact CE1-CD1 3.92Å; Y558-I566 HydrophobicContact CE2-CD1 3.6Å; Y558-I566 HydrophobicContact CE2-CG1 4.31Å; Y558-I566 HydrophobicContact CE2-CG2 4.16Å; Y558-I566 HydrophobicContact CG-CD1 3.9Å
559K91.2Very high91Very high127 Ų12748.9 Ų48.955%0.55223%0.23SC*.Hα-helixtrans-65.7-38.6-177.9-69-177177.4-174.40113.3M93 W123 I555 Q556M93-K559 HydrophobicContact CE-CD 4.49Å; M93-K559 HydrophobicContact CE-CG 3.83Å; W123-K559 HydrophobicContact CZ2-CG 4.38Å; I555-K559 PolarHBondContact O-N 3.28Å; Q556-K559 PolarHBondContact O-N 2.97Å
560Y92.8Very high91.3Very high188 Ų18846.2 Ų46.274%0.73722%0.215SC*.Hα-helixtrans-90.8-0.5-179.8-63.3-57.5000113.7Q556 A562Q556-Y560 HydrophobicContact CB-CD2 4.1Å; Q556-Y560 HydrophobicContact CB-CE2 4.04Å; Q556-Y560 HydrophobicContact CG-CE2 4.44Å; Q556-Y560 VanDerWaalsContact O-CD2 3.23Å; Q556-Y560 WeakPolarHBondContact O-CD2 3.12Å; Q556-Y560 PolarHBondContact O-N 3.47Å; Y560-A562 VanDerWaalsContact C-N 3.31Å; Y560-A562 PolarHBondContact O-N 3.33Å
561G91.1Very high91.6Very high15 Ų1548.5 Ų48.516%0.15524%0.235CC..THydrogen-bonded Turntrans72.520.1-179.400000114.3A166 A557 Y558 F563A166-G561 WeakPolarHBondContact CB-O 3.44Å; A557-G561 PolarHBondContact O-N 2.94Å; A557-G561 VanDerWaalsContact O-N 3.09Å; Y558-G561 PolarHBondContact O-N 2.92Å; G561-F563 PolarHBondContact O-N 3.3Å
562A93.6Very high92.1Very high34 Ų3451.8 Ų51.828%0.28125%0.251SS..  trans-80.257.4176.700000111.3A557 Y560 E564 K565A557-A562 HydrophobicContact CB-CB 4.24Å; A557-A562 PolarHBondContact O-N 2.91Å; Y560-A562 VanDerWaalsContact C-N 3.31Å; Y560-A562 PolarHBondContact O-N 3.33Å; A562-E564 VanDerWaalsContact C-N 3.34Å; A562-E564 PolarHBondContact O-N 3.06Å; A562-K565 HydrophobicContact CB-CB 4.4Å; A562-K565 HydrophobicContact CB-CG 4.45Å; A562-K565 PolarHBondContact O-N 3.25Å; A562-K565 VanDerWaalsContact O-N 3.13Å
563F94.3Very high92.4Very high5 Ų551.4 Ų51.42%0.02225%0.248CC..THydrogen-bonded Turntrans-62.6-37.5-170.7-65.4-48.3000113.5F122 W123 M126 A166 L170 Y558 G561 K565 I566 P567F122-F563 HydrophobicContact CB-CE2 3.91Å; F122-F563 HydrophobicContact CB-CZ 3.89Å; W123-F563 AromaticContact CD1-CE1 3.96Å; M126-F563 HydrophobicContact CB-CD1 3.85Å; M126-F563 HydrophobicContact CB-CE1 4.1Å; M126-F563 HydrophobicContact CB-CG 4.48Å; M126-F563 HydrophobicContact CG-CB 4.46Å; M126-F563 HydrophobicContact CG-CD1 3.7Å; M126-F563 HydrophobicContact CG-CE1 4.36Å; M126-F563 HydrophobicContact CG-CG 4.35Å; M126-F563 HydrophobicContact SD-CB 3.78Å; M126-F563 HydrophobicContact SD-CD1 4.16Å; M126-F563 HydrophobicContact SD-CG 4.24Å; A166-F563 HydrophobicContact CB-CD2 4.09Å; A166-F563 HydrophobicContact CB-CE2 4.15Å; L170-F563 HydrophobicContact CB-CB 4.33Å; L170-F563 HydrophobicContact CB-CD2 3.94Å; L170-F563 HydrophobicContact CB-CG 4.45Å; L170-F563 HydrophobicContact CD1-CB 4.48Å; L170-F563 HydrophobicContact CD2-CD2 3.76Å; L170-F563 HydrophobicContact CD2-CE2 4.02Å; L170-F563 HydrophobicContact CD2-CG 4.13Å; L170-F563 HydrophobicContact CG-CD2 4.42Å; Y558-F563 HydrophobicContact CD1-CE1 4.12Å; G561-F563 PolarHBondContact O-N 3.3Å; F563-K565 PolarHBondContact O-N 2.99Å; F563-I566 HydrophobicContact CD1-CD1 3.91Å; F563-I566 PolarHBondContact O-N 2.72Å; F563-P567 VanDerWaalsContact O-CD 3.3Å; F563-P567 WeakPolarHBondContact O-CD 3.35Å
564E91.2Very high92.5Very high58 Ų5848.4 Ų48.427%0.27124%0.241SC..THydrogen-bonded Turntrans-62.1-27.8177.7-166.9168.4167.600112.4K206 A562 P567K206-E564 IonicContact NZ-OE2 3.14Å; A562-E564 VanDerWaalsContact C-N 3.34Å; A562-E564 PolarHBondContact O-N 3.06Å; E564-P567 WeakPolarHBondContact O-CD 3.35Å
565K93.9Very high92.8Very high69 Ų6954.5 Ų54.530%0.326%0.264SS..Hα-helixtrans-84.6-16-179.7-58.2-53.4178.7-170.20114.3A562 F563 E568 F569A562-K565 HydrophobicContact CB-CB 4.4Å; A562-K565 HydrophobicContact CB-CG 4.45Å; A562-K565 PolarHBondContact O-N 3.25Å; A562-K565 VanDerWaalsContact O-N 3.13Å; F563-K565 PolarHBondContact O-N 2.99Å; K565-E568 WeakPolarHBondContact CD-OE2 3.44Å; K565-E568 IonicContact NZ-OE1 3.96Å; K565-E568 PolarHBondContact NZ-OE1 3Å; K565-E568 IonicContact NZ-OE2 3.56Å; K565-E568 PolarHBondContact NZ-OE2 2.89Å; K565-E568 PolarHBondContact O-N 3.45Å; K565-F569 HydrophobicContact CB-CE1 4.4Å; K565-F569 HydrophobicContact CB-CE2 4.2Å; K565-F569 HydrophobicContact CB-CZ 4.11Å; K565-F569 WeakPolarHBondContact O-CB 3.33Å; K565-F569 VanDerWaalsContact O-CG 3.28Å; K565-F569 WeakPolarHBondContact O-CG 3.5Å; K565-F569 PolarHBondContact O-N 3.35Å
566I94.3Very high93.1Very high1 Ų154.5 Ų54.51%0.00526%0.263CS..Hα-helixtrans-62.6-49.5179.9-65.8165000111.4M126 M130 I554 A557 Y558 F563 E568 F569 I570M126-I566 HydrophobicContact CE-CB 4.08Å; M126-I566 HydrophobicContact CE-CD1 4.48Å; M126-I566 HydrophobicContact CE-CG2 4.19Å; M126-I566 HydrophobicContact CG-CD1 3.79Å; M126-I566 HydrophobicContact SD-CD1 4.41Å; M130-I566 HydrophobicContact CE-CG2 4.35Å; M130-I566 HydrophobicContact CG-CG2 4.22Å; M130-I566 HydrophobicContact SD-CG2 3.73Å; I554-I566 HydrophobicContact CG2-CG2 4.37Å; A557-I566 HydrophobicContact CB-CD1 4.27Å; A557-I566 HydrophobicContact CB-CG1 3.56Å; Y558-I566 HydrophobicContact CD1-CD1 4.01Å; Y558-I566 HydrophobicContact CD2-CD1 3.7Å; Y558-I566 HydrophobicContact CD2-CG1 4.45Å; Y558-I566 HydrophobicContact CE1-CD1 3.92Å; Y558-I566 HydrophobicContact CE2-CD1 3.6Å; Y558-I566 HydrophobicContact CE2-CG1 4.31Å; Y558-I566 HydrophobicContact CE2-CG2 4.16Å; Y558-I566 HydrophobicContact CG-CD1 3.9Å; F563-I566 HydrophobicContact CD1-CD1 3.91Å; F563-I566 PolarHBondContact O-N 2.72Å; I566-E568 VanDerWaalsContact C-N 3.31Å; I566-E568 PolarHBondContact O-N 2.91Å; I566-F569 PolarHBondContact O-N 3.46Å; I566-I570 VanDerWaalsContact O-CG1 3.26Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.2Å
567P93Very high93.1Very high20 Ų2053.1 Ų53.113%0.1326%0.259CS..Hα-helixtrans-58.8-40.4173.7-24.935.3000113.1M126 M130 I133 M173 F563 E564 I570 A571M126-P567 HydrophobicContact CE-CG 4Å; M130-P567 HydrophobicContact SD-CG 4.14Å; I133-P567 HydrophobicContact CD1-CB 4.05Å; I133-P567 HydrophobicContact CD1-CG 3.7Å; M173-P567 HydrophobicContact SD-CG 4.22Å; F563-P567 VanDerWaalsContact O-CD 3.3Å; F563-P567 WeakPolarHBondContact O-CD 3.35Å; E564-P567 WeakPolarHBondContact O-CD 3.35Å; P567-I570 PolarHBondContact O-N 3.44Å; P567-A571 WeakPolarHBondContact O-CB 3.45Å; P567-A571 PolarHBondContact O-N 2.65Å
568E94.4Very high93.2Very high94 Ų9455.3 Ų55.344%0.43927%0.268SS..Hα-helixtrans-62.6-46.2177.7-67178.6-156.800111.7K565 I566 I570 A571 L572K565-E568 WeakPolarHBondContact CD-OE2 3.44Å; K565-E568 IonicContact NZ-OE1 3.96Å; K565-E568 PolarHBondContact NZ-OE1 3Å; K565-E568 IonicContact NZ-OE2 3.56Å; K565-E568 PolarHBondContact NZ-OE2 2.89Å; K565-E568 PolarHBondContact O-N 3.45Å; I566-E568 VanDerWaalsContact C-N 3.31Å; I566-E568 PolarHBondContact O-N 2.91Å; E568-I570 VanDerWaalsContact C-N 3.34Å; E568-I570 PolarHBondContact O-N 2.87Å; E568-A571 PolarHBondContact O-N 2.97Å; E568-L572 WeakPolarHBondContact O-CB 3.44Å; E568-L572 PolarHBondContact O-N 3.45Å
569F93.9Very high93.4Very high64 Ų6455.2 Ų55.228%0.28127%0.268SS..Hα-helixtrans-63.7-38.1177.1-69.1-16.2000112.5I554 A557 K565 I566 L572 R573I554-F569 HydrophobicContact CD1-CB 4.47Å; I554-F569 HydrophobicContact CG1-CB 3.76Å; I554-F569 HydrophobicContact CG1-CD2 4.41Å; A557-F569 HydrophobicContact CB-CD2 4.24Å; A557-F569 HydrophobicContact CB-CE2 4.07Å; K565-F569 HydrophobicContact CB-CE1 4.4Å; K565-F569 HydrophobicContact CB-CE2 4.2Å; K565-F569 HydrophobicContact CB-CZ 4.11Å; K565-F569 WeakPolarHBondContact O-CB 3.33Å; K565-F569 VanDerWaalsContact O-CG 3.28Å; K565-F569 WeakPolarHBondContact O-CG 3.5Å; K565-F569 PolarHBondContact O-N 3.35Å; I566-F569 PolarHBondContact O-N 3.46Å; F569-L572 PolarHBondContact O-N 3.12Å; F569-R573 WeakPolarHBondContact O-CB 3.47Å; F569-R573 PolarHBondContact O-N 3.37Å
570I91.4Very high93.8Very high14 Ų1449.2 Ų49.27%0.07224%0.242CC..Hα-helixtrans-66.1-43.2174.7-66.4-74.4000110.6M130 I554 I566 P567 E568 R573 N574M130-I570 HydrophobicContact CE-CB 4.43Å; M130-I570 HydrophobicContact CE-CG1 3.91Å; I554-I570 HydrophobicContact CD1-CD1 3.41Å; I554-I570 VanDerWaalsContact CD1-CD1 3.41Å; I554-I570 HydrophobicContact CD1-CG1 4.08Å; I554-I570 HydrophobicContact CG1-CD1 4.24Å; I566-I570 VanDerWaalsContact O-CG1 3.26Å; I566-I570 WeakPolarHBondContact O-CG1 3.37Å; I566-I570 PolarHBondContact O-N 3.2Å; P567-I570 PolarHBondContact O-N 3.44Å; E568-I570 VanDerWaalsContact C-N 3.34Å; E568-I570 PolarHBondContact O-N 2.87Å; I570-R573 PolarHBondContact O-N 3.35Å; I570-N574 WeakPolarHBondContact O-CB 3.46Å; I570-N574 PolarHBondContact O-N 3.16Å; I570-N574 PolarHBondContact O-ND2 3.18Å; I570-N574 PolarHBondContact O-OD1 3.26Å
571A92.4Very high94Very high58 Ų5840.3 Ų40.348%0.47921%0.207SC..Hα-helixtrans-62.1-44.2176.300000111.7P567 E568 N574 R575P567-A571 WeakPolarHBondContact O-CB 3.45Å; P567-A571 PolarHBondContact O-N 2.65Å; E568-A571 PolarHBondContact O-N 2.97Å; A571-N574 PolarHBondContact O-N 2.88Å; A571-R575 VanDerWaalsContact O-CB 3.3Å; A571-R575 WeakPolarHBondContact O-CB 3.44Å; A571-R575 PolarHBondContact O-N 2.84Å
572L93.8Very high94.3Very high81 Ų8140.2 Ų40.242%0.42420%0.203SC..Hα-helixtrans-62-46.3175.318062.7000111.7E568 F569 N574 R575 L576E568-L572 WeakPolarHBondContact O-CB 3.44Å; E568-L572 PolarHBondContact O-N 3.45Å; F569-L572 PolarHBondContact O-N 3.12Å; L572-N574 VanDerWaalsContact C-N 3.32Å; L572-N574 PolarHBondContact O-N 3.2Å; L572-R575 PolarHBondContact O-N 3.13Å; L572-L576 HydrophobicContact CD1-CD1 4.06Å; L572-L576 HydrophobicContact CD1-CG 4.25Å; L572-L576 HydrophobicContact CG-CD1 4.12Å; L572-L576 WeakPolarHBondContact O-CG 3.38Å; L572-L576 PolarHBondContact O-N 3.45Å
573R92.4Very high94.5Very high32 Ų3238.8 Ų38.812%0.12119%0.191CC..Hα-helixtrans-56.1-48.1175.8-172.4-178.767.81771111.3T550 F569 I570 L576 N577T550-R573 HydrophobicContact CG2-CB 3.79Å; T550-R573 HydrophobicContact CG2-CG 4.27Å; F569-R573 WeakPolarHBondContact O-CB 3.47Å; F569-R573 PolarHBondContact O-N 3.37Å; I570-R573 PolarHBondContact O-N 3.35Å; R573-L576 PolarHBondContact O-N 2.95Å; R573-N577 WeakPolarHBondContact O-CB 3.22Å; R573-N577 VanDerWaalsContact O-CG 3.28Å; R573-N577 PolarHBondContact O-N 2.88Å; R573-N577 PolarHBondContact O-ND2 3.28Å
574N91.9Very high94.6Very high64 Ų6439.5 Ų39.534%0.34219%0.194SC..Hα-helixtrans-65.5-44-179.5-67.7-8.3000110.9I570 A571 L572 L576 N577 Q578I570-N574 WeakPolarHBondContact O-CB 3.46Å; I570-N574 PolarHBondContact O-N 3.16Å; I570-N574 PolarHBondContact O-ND2 3.18Å; I570-N574 PolarHBondContact O-OD1 3.26Å; A571-N574 PolarHBondContact O-N 2.88Å; L572-N574 VanDerWaalsContact C-N 3.32Å; L572-N574 PolarHBondContact O-N 3.2Å; N574-L576 VanDerWaalsContact C-N 3.3Å; N574-L576 PolarHBondContact O-N 3.15Å; N574-N577 PolarHBondContact O-N 2.78Å; N574-Q578 VanDerWaalsContact O-CB 3.25Å; N574-Q578 WeakPolarHBondContact O-CB 3.36Å; N574-Q578 VanDerWaalsContact O-CG 3.23Å; N574-Q578 WeakPolarHBondContact O-CG 3.48Å; N574-Q578 PolarHBondContact O-N 2.68Å; N574-Q578 PolarHBondContact O-OE1 2.93Å
575R95.6Very high94.9Very high131 Ų13136.8 Ų36.849%0.49418%0.182SC..Hα-helixtrans-58.2-39.3176.3-178.8175.8-179.81740112.7A571 L572 S579 R626 N628A571-R575 VanDerWaalsContact O-CB 3.3Å; A571-R575 WeakPolarHBondContact O-CB 3.44Å; A571-R575 PolarHBondContact O-N 2.84Å; L572-R575 PolarHBondContact O-N 3.13Å; R575-S579 PolarHBondContact O-N 3.19Å; R575-R626 HydrophobicContact CG-CB 4.31Å; R575-R626 HydrophobicContact CG-CG 4.32Å; R575-N628 WeakPolarHBondContact CG-OD1 3.49Å; R575-N628 PolarHBondContact NE-OD1 2.85Å; R575-N628 PolarHBondContact NH2-OD1 2.88Å; R575-N628 PolarHBondContact O-ND2 3.46Å
576L95.3Very high95Very high5 Ų535.7 Ų35.73%0.02618%0.176CC..Hα-helixtrans-75.7-39.7177.7-69.9175.2000112.4I510 D513 F542 N546 L572 R573 N574 Q578 S579I510-L576 HydrophobicContact CD1-CD1 4.35Å; I510-L576 HydrophobicContact CD1-CD2 3.71Å; D513-L576 HydrophobicContact CB-CD2 4.43Å; D513-L576 VanDerWaalsContact OD2-CD2 3.23Å; D513-L576 WeakPolarHBondContact OD2-CD2 3.47Å; F542-L576 HydrophobicContact CE1-CD2 4.49Å; F542-L576 HydrophobicContact CZ-CD1 4.38Å; F542-L576 HydrophobicContact CZ-CD2 4.37Å; N546-L576 WeakPolarHBondContact ND2-CD1 3.4Å; N546-L576 WeakPolarHBondContact OD1-CD1 3.47Å; L572-L576 HydrophobicContact CD1-CD1 4.06Å; L572-L576 HydrophobicContact CD1-CG 4.25Å; L572-L576 HydrophobicContact CG-CD1 4.12Å; L572-L576 WeakPolarHBondContact O-CG 3.38Å; L572-L576 PolarHBondContact O-N 3.45Å; R573-L576 PolarHBondContact O-N 2.95Å; N574-L576 VanDerWaalsContact C-N 3.3Å; N574-L576 PolarHBondContact O-N 3.15Å; L576-Q578 PolarHBondContact O-N 3.33Å; L576-S579 VanDerWaalsContact O-CB 3.24Å; L576-S579 WeakPolarHBondContact O-CB 3.4Å; L576-S579 PolarHBondContact O-N 2.83Å; L576-S579 VanDerWaalsContact O-N 3.16Å
577N92.3Very high95.1Very high50 Ų5035.9 Ų35.927%0.26718%0.177SC..Hα-helixtrans-66.1-27.8174.5-74.2-16.3000113Q547 R573 N574Q547-N577 WeakPolarHBondContact CG-OD1 3.4Å; Q547-N577 PolarHBondContact NE2-OD1 3.02Å; R573-N577 WeakPolarHBondContact O-CB 3.22Å; R573-N577 VanDerWaalsContact O-CG 3.28Å; R573-N577 PolarHBondContact O-N 2.88Å; R573-N577 PolarHBondContact O-ND2 3.28Å; N574-N577 PolarHBondContact O-N 2.78Å
578Q95.6Very high95.3Very high48 Ų4836.3 Ų36.322%0.22418%0.177CC..THydrogen-bonded Turntrans-95.211.8176.6-64.9167.1-17.100112.4N574 L576 L580 P621 T624 L625 R626N574-Q578 VanDerWaalsContact O-CB 3.25Å; N574-Q578 WeakPolarHBondContact O-CB 3.36Å; N574-Q578 VanDerWaalsContact O-CG 3.23Å; N574-Q578 WeakPolarHBondContact O-CG 3.48Å; N574-Q578 PolarHBondContact O-N 2.68Å; N574-Q578 PolarHBondContact O-OE1 2.93Å; L576-Q578 PolarHBondContact O-N 3.33Å; Q578-L580 PolarHBondContact O-N 3.28Å; Q578-P621 HydrophobicContact CB-CG 4.33Å; Q578-P621 HydrophobicContact CG-CB 4.38Å; Q578-P621 HydrophobicContact CG-CG 4.21Å; Q578-T624 WeakPolarHBondContact CB-O 3.34Å; Q578-T624 PolarHBondContact NE2-OG1 3.33Å; Q578-L625 CarbonylContact O-C 3.39Å; Q578-L625 WeakPolarHBondContact O-CA 3.45Å; Q578-R626 HydrophobicContact CB-CG 4.24Å; Q578-R626 PolarHBondContact O-N 2.8Å
579S97.8Very high95.4Very high2 Ų233.3 Ų33.31%0.01416%0.162CC..BIsolated β-bridgetrans-62.1131.6-180170.70000111.5D513 R575 L576 H581 F582 A583 R626D513-S579 WeakPolarHBondContact OD1-CB 3.35Å; D513-S579 PolarHBondContact OD1-OG 3.4Å; R575-S579 PolarHBondContact O-N 3.19Å; L576-S579 VanDerWaalsContact O-CB 3.24Å; L576-S579 WeakPolarHBondContact O-CB 3.4Å; L576-S579 PolarHBondContact O-N 2.83Å; L576-S579 VanDerWaalsContact O-N 3.16Å; S579-H581 VanDerWaalsContact C-N 3.28Å; S579-H581 PolarHBondContact O-N 3.04Å; S579-H581 PolarHBondContact OG-N 3.16Å; S579-H581 VanDerWaalsContact OG-N 3.09Å; S579-F582 PolarHBondContact O-N 2.99Å; S579-F582 PolarHBondContact OG-N 3.38Å; S579-A583 PolarHBondContact O-N 3.35Å; S579-R626 WeakPolarHBondContact CA-O 3.28Å
580L97.9Very high95.5Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-54.9-46.7168.2173.166000110.8Q578 F582 A583 Q584 R626 D627 L653 E656 L660Q578-L580 PolarHBondContact O-N 3.28Å; L580-F582 VanDerWaalsContact C-N 3.3Å; L580-F582 PolarHBondContact O-N 3.38Å; L580-A583 PolarHBondContact O-N 3.22Å; L580-Q584 HydrophobicContact CD1-CG 4.29Å; L580-Q584 HydrophobicContact CG-CG 4.45Å; L580-Q584 VanDerWaalsContact O-CG 3.29Å; L580-Q584 WeakPolarHBondContact O-CG 3.47Å; L580-Q584 PolarHBondContact O-N 2.93Å; L580-R626 PolarHBondContact N-O 2.91Å; L580-D627 HydrophobicContact CD2-CB 4.38Å; L580-L653 HydrophobicContact CD2-CD1 3.87Å; L580-E656 HydrophobicContact CD1-CB 4.4Å; L580-E656 HydrophobicContact CD2-CB 3.8Å; L580-E656 HydrophobicContact CD2-CG 4.34Å; L580-L660 HydrophobicContact CD1-CD2 3.91Å
581H97.9Very high95.7Very high2 Ų231.5 Ų31.51%0.00915%0.154CC..Hα-helixtrans-64.5-36.9-178.6-174.660000111.4H512 F517 T520 S539 S579 Q584 V585H512-H581 PolarHBondContact O-CD2 2.9Å; H512-H581 PolarHBondContact O-NE2 3.35Å; F517-H581 PolarHBondContact N-CE1 2.9Å; T520-H581 PolarHBondContact OG1-CE1 3.39Å; S539-H581 PolarHBondContact OG-NE2 3.22Å; S579-H581 VanDerWaalsContact C-N 3.28Å; S579-H581 PolarHBondContact O-N 3.04Å; S579-H581 PolarHBondContact OG-N 3.16Å; S579-H581 VanDerWaalsContact OG-N 3.09Å; H581-Q584 PolarHBondContact O-N 2.91Å; H581-V585 VanDerWaalsContact CE1-CG2 3.42Å; H581-V585 WeakPolarHBondContact CE1-CG2 3.18Å; H581-V585 WeakPolarHBondContact O-CB 3.41Å; H581-V585 VanDerWaalsContact O-CG2 3.27Å; H581-V585 WeakPolarHBondContact O-CG2 3.35Å; H581-V585 PolarHBondContact O-N 3.39Å
582F97.7Very high95.9Very high13 Ų1328.9 Ų28.96%0.05713%0.132CC..Hα-helixtrans-61.3-46.6174.7-177.3-144.7000112L540 F543 S579 L580 Q584 V585 R586L540-F582 HydrophobicContact CD2-CD2 4.15Å; L540-F582 HydrophobicContact CD2-CE2 3.8Å; F543-F582 HydrophobicContact CB-CD1 4.49Å; F543-F582 HydrophobicContact CB-CD2 3.5Å; F543-F582 VanDerWaalsContact CB-CD2 3.5Å; F543-F582 HydrophobicContact CB-CE1 4.49Å; F543-F582 HydrophobicContact CB-CE2 3.5Å; F543-F582 VanDerWaalsContact CB-CE2 3.5Å; F543-F582 HydrophobicContact CB-CG 4.03Å; F543-F582 HydrophobicContact CB-CZ 4.03Å; F543-F582 HydrophobicContact CD1-CB 3.84Å; F543-F582 HydrophobicContact CD1-CD1 4.46Å; F543-F582 HydrophobicContact CD1-CD2 4.11Å; F543-F582 AromaticContact CD1-CG 3.89Å; F543-F582 HydrophobicContact CD1-CG 3.89Å; F543-F582 HydrophobicContact CD2-CB 3.86Å; F543-F582 AromaticContact CD2-CD2 3.31Å; F543-F582 HydrophobicContact CD2-CD2 3.31Å; F543-F582 HydrophobicContact CD2-CE2 4.11Å; F543-F582 AromaticContact CD2-CG 3.83Å; F543-F582 HydrophobicContact CD2-CG 3.83Å; F543-F582 HydrophobicContact CE1-CB 3.72Å; F543-F582 HydrophobicContact CE1-CG 4.3Å; F543-F582 HydrophobicContact CE2-CB 3.75Å; F543-F582 HydrophobicContact CE2-CD2 4.03Å; F543-F582 HydrophobicContact CE2-CG 4.24Å; F543-F582 HydrophobicContact CG-CB 3.92Å; F543-F582 HydrophobicContact CG-CD1 4.41Å; F543-F582 AromaticContact CG-CD2 3.37Å; F543-F582 HydrophobicContact CG-CD2 3.37Å; F543-F582 AromaticContact CG-CE2 3.95Å; F543-F582 HydrophobicContact CG-CE2 3.95Å; F543-F582 AromaticContact CG-CG 3.65Å; F543-F582 HydrophobicContact CG-CG 3.65Å; F543-F582 HydrophobicContact CZ-CB 3.67Å; F543-F582 HydrophobicContact CZ-CG 4.46Å; S579-F582 PolarHBondContact O-N 2.99Å; S579-F582 PolarHBondContact OG-N 3.38Å; L580-F582 VanDerWaalsContact C-N 3.3Å; L580-F582 PolarHBondContact O-N 3.38Å; F582-Q584 VanDerWaalsContact C-N 3.35Å; F582-Q584 PolarHBondContact O-N 3.17Å; F582-V585 PolarHBondContact O-N 3.29Å; F582-R586 WeakPolarHBondContact O-CB 3.47Å; F582-R586 PolarHBondContact O-N 3.46Å
583A97.4Very high96Very high3 Ų326.4 Ų26.43%0.02512%0.119CC..Hα-helixtrans-63.5-40.1178.200000112.3S579 L580 T587 V620 L625 L660S579-A583 PolarHBondContact O-N 3.35Å; L580-A583 PolarHBondContact O-N 3.22Å; A583-T587 WeakPolarHBondContact O-CB 3.29Å; A583-T587 PolarHBondContact O-N 3.34Å; A583-T587 VanDerWaalsContact O-N 3.11Å; A583-T587 PolarHBondContact O-OG1 3.15Å; A583-V620 HydrophobicContact CB-CG1 4.13Å; A583-V620 HydrophobicContact CB-CG2 4.37Å; A583-L625 HydrophobicContact CB-CD2 4.33Å; A583-L660 HydrophobicContact CB-CD2 3.7Å
584Q97.4Very high96.1Very high21 Ų2124.9 Ų24.910%0.09811%0.114CC..Hα-helixtrans-61.4-53.9174.4-71176.5-29.400111.9L580 H581 F582 R586 T587 E588 E656 L660L580-Q584 HydrophobicContact CD1-CG 4.29Å; L580-Q584 HydrophobicContact CG-CG 4.45Å; L580-Q584 VanDerWaalsContact O-CG 3.29Å; L580-Q584 WeakPolarHBondContact O-CG 3.47Å; L580-Q584 PolarHBondContact O-N 2.93Å; H581-Q584 PolarHBondContact O-N 2.91Å; F582-Q584 VanDerWaalsContact C-N 3.35Å; F582-Q584 PolarHBondContact O-N 3.17Å; Q584-R586 VanDerWaalsContact C-N 3.31Å; Q584-R586 PolarHBondContact O-N 2.84Å; Q584-T587 PolarHBondContact O-N 2.88Å; Q584-E588 WeakPolarHBondContact O-CG 3.28Å; Q584-E588 PolarHBondContact O-N 3.5Å; Q584-E656 PolarHBondContact NE2-OE2 3.21Å; Q584-L660 HydrophobicContact CG-CD1 4.09Å; Q584-L660 HydrophobicContact CG-CD2 4.27Å
585V97.4Very high96.3Very high1 Ų122.1 Ų22.11%0.00610%0.098CC..Hα-helixtrans-61-41.2-178172.60000111.5T520 C536 L540 H581 F582 R589T520-V585 HydrophobicContact CG2-CG2 3.92Å; C536-V585 HydrophobicContact CB-CG1 3.81Å; C536-V585 WeakPolarHBondContact O-CG1 3.36Å; L540-V585 HydrophobicContact CD1-CG1 4.32Å; L540-V585 HydrophobicContact CD2-CG1 3.88Å; L540-V585 HydrophobicContact CG-CG1 3.64Å; H581-V585 VanDerWaalsContact CE1-CG2 3.42Å; H581-V585 WeakPolarHBondContact CE1-CG2 3.18Å; H581-V585 WeakPolarHBondContact O-CB 3.41Å; H581-V585 VanDerWaalsContact O-CG2 3.27Å; H581-V585 WeakPolarHBondContact O-CG2 3.35Å; H581-V585 PolarHBondContact O-N 3.39Å; F582-V585 PolarHBondContact O-N 3.29Å; V585-R589 WeakPolarHBondContact O-CB 3.43Å; V585-R589 PolarHBondContact O-N 2.9Å
586R95.9Very high96.3Very high46 Ų4618.2 Ų18.217%0.1749%0.087CC..Hα-helixtrans-60.9-47.3176.8-175.1179.965.7-167.2-4.4111.2L540 F582 Q584 M590 D619 V620L540-R586 HydrophobicContact CD2-CB 4.26Å; F582-R586 WeakPolarHBondContact O-CB 3.47Å; F582-R586 PolarHBondContact O-N 3.46Å; Q584-R586 VanDerWaalsContact C-N 3.31Å; Q584-R586 PolarHBondContact O-N 2.84Å; R586-M590 HydrophobicContact CG-CE 4.27Å; R586-M590 HydrophobicContact CG-SD 3.99Å; R586-M590 VanDerWaalsContact O-CG 3.32Å; R586-M590 WeakPolarHBondContact O-CG 3.34Å; R586-M590 PolarHBondContact O-N 3.42Å; R586-M590 VanDerWaalsContact O-N 3.15Å; R586-D619 PolarHBondContact NH1-O 3.27Å; R586-D619 PolarHBondContact NH2-O 3.31Å; R586-V620 VanDerWaalsContact NH2-CG2 3.32Å
587T96.1Very high96.1Very high4 Ų422 Ų223%0.02511%0.105CC..Hα-helixtrans-64.8-48.9-179.1-53.90000111.3A583 Q584 R589 M590 L591 L660 R663 L667A583-T587 WeakPolarHBondContact O-CB 3.29Å; A583-T587 PolarHBondContact O-N 3.34Å; A583-T587 VanDerWaalsContact O-N 3.11Å; A583-T587 PolarHBondContact O-OG1 3.15Å; Q584-T587 PolarHBondContact O-N 2.88Å; T587-R589 PolarHBondContact O-N 3.34Å; T587-M590 PolarHBondContact O-N 2.83Å; T587-L591 HydrophobicContact CG2-CD1 4.06Å; T587-L591 WeakPolarHBondContact O-CG 3.45Å; T587-L591 PolarHBondContact O-N 3.1Å; T587-L660 HydrophobicContact CG2-CD1 4.46Å; T587-R663 HydrophobicContact CG2-CB 3.87Å; T587-L667 HydrophobicContact CG2-CD2 4.37Å
588E96.3Very high96Very high29 Ų2919.6 Ų19.614%0.1369%0.092CC..Hα-helixtrans-69.3-33.2-179.6-65.4-52.8144.800112.3Q584 L591 L592 R663Q584-E588 WeakPolarHBondContact O-CG 3.28Å; Q584-E588 PolarHBondContact O-N 3.5Å; E588-L591 PolarHBondContact O-N 3.19Å; E588-L592 VanDerWaalsContact O-CB 3.26Å; E588-L592 WeakPolarHBondContact O-CB 3.21Å; E588-L592 VanDerWaalsContact O-CG 3.24Å; E588-L592 WeakPolarHBondContact O-CG 3.37Å; E588-L592 PolarHBondContact O-N 3.38Å; E588-R663 VanDerWaalsContact OE1-CG 3.32Å; E588-R663 WeakPolarHBondContact OE1-CG 3.47Å; E588-R663 IonicContact OE1-CZ 3.97Å; E588-R663 IonicContact OE1-NE 3.85Å; E588-R663 PolarHBondContact OE1-NE 3.02Å; E588-R663 IonicContact OE1-NH2 3.87Å; E588-R663 IonicContact OE2-CZ 3.31Å; E588-R663 IonicContact OE2-NE 3.32Å; E588-R663 PolarHBondContact OE2-NE 3.41Å; E588-R663 IonicContact OE2-NH2 3.06Å; E588-R663 PolarHBondContact OE2-NH2 3.02Å
589R96.8Very high95.6Very high32 Ų3219.2 Ų19.212%0.1219%0.091CC..Hα-helixtrans-58.9-49.7171.6177.866.6-135.7171.4-12.9111.2S533 C536 L540 V585 T587 L592 D593S533-R589 PolarHBondContact O-NH1 2.86Å; S533-R589 PolarHBondContact OG-NH1 2.92Å; C536-R589 HydrophobicContact CB-CB 4.13Å; L540-R589 HydrophobicContact CD1-CB 3.87Å; L540-R589 HydrophobicContact CD1-CG 3.73Å; V585-R589 WeakPolarHBondContact O-CB 3.43Å; V585-R589 PolarHBondContact O-N 2.9Å; T587-R589 PolarHBondContact O-N 3.34Å; R589-L592 PolarHBondContact O-N 2.95Å; R589-D593 IonicContact CZ-OD1 3.92Å; R589-D593 IonicContact CZ-OD2 3.63Å; R589-D593 IonicContact NE-OD1 4Å; R589-D593 PolarHBondContact NE-OD1 3.45Å; R589-D593 IonicContact NE-OD2 3.39Å; R589-D593 PolarHBondContact NE-OD2 2.75Å; R589-D593 IonicContact NH2-OD1 2.85Å; R589-D593 PolarHBondContact NH2-OD1 2.83Å; R589-D593 IonicContact NH2-OD2 3.36Å; R589-D593 PolarHBondContact O-N 2.8Å
590M95.8Very high95.2Very high40 Ų4021.5 Ų21.520%0.19710%0.103CC..Hα-helixtrans-64.2-41.6-179.5-71.5164153.800111.5R586 T587 D593 L594 M611 L613 L667R586-M590 HydrophobicContact CG-CE 4.27Å; R586-M590 HydrophobicContact CG-SD 3.99Å; R586-M590 VanDerWaalsContact O-CG 3.32Å; R586-M590 WeakPolarHBondContact O-CG 3.34Å; R586-M590 PolarHBondContact O-N 3.42Å; R586-M590 VanDerWaalsContact O-N 3.15Å; T587-M590 PolarHBondContact O-N 2.83Å; M590-D593 PolarHBondContact O-N 3.44Å; M590-L594 WeakPolarHBondContact O-CG 3.35Å; M590-L594 PolarHBondContact O-N 3.21Å; M590-L594 VanDerWaalsContact O-N 3.08Å; M590-M611 HydrophobicContact CB-SD 3.98Å; M590-M611 HydrophobicContact CG-SD 4.01Å; M590-L613 HydrophobicContact CE-CD2 3.74Å; M590-L613 HydrophobicContact CE-CG 4.39Å; M590-L613 HydrophobicContact CG-CD2 4.31Å; M590-L613 HydrophobicContact SD-CD2 3.53Å; M590-L613 VanDerWaalsContact SD-CD2 3.53Å; M590-L613 HydrophobicContact SD-CG 4.49Å; M590-L667 HydrophobicContact CB-CD1 4.03Å; M590-L667 HydrophobicContact CB-CD2 3.73Å; M590-L667 HydrophobicContact CG-CD2 4.41Å; M590-L667 HydrophobicContact SD-CD2 3.86Å
591L96.6Very high94.8Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-65.3-42.6175.2-73.6170000112.1T587 E588 D593 L594 Y595 R663 T666 L667 L670T587-L591 HydrophobicContact CG2-CD1 4.06Å; T587-L591 WeakPolarHBondContact O-CG 3.45Å; T587-L591 PolarHBondContact O-N 3.1Å; E588-L591 PolarHBondContact O-N 3.19Å; L591-D593 PolarHBondContact O-N 3.01Å; L591-L594 WeakPolarHBondContact O-CB 3.18Å; L591-L594 PolarHBondContact O-N 2.71Å; L591-Y595 HydrophobicContact CB-CD2 4.34Å; L591-Y595 HydrophobicContact CB-CE2 3.93Å; L591-Y595 WeakPolarHBondContact O-CD2 3.31Å; L591-Y595 PolarHBondContact O-N 2.7Å; L591-R663 HydrophobicContact CD1-CB 4.02Å; L591-R663 VanDerWaalsContact CD1-NE 3.33Å; L591-T666 HydrophobicContact CD2-CG2 4.49Å; L591-L667 HydrophobicContact CD2-CB 4.11Å; L591-L667 HydrophobicContact CD2-CD1 3.93Å; L591-L667 HydrophobicContact CG-CB 4.42Å; L591-L667 HydrophobicContact CG-CD1 4.22Å; L591-L670 HydrophobicContact CD2-CD1 4.4Å
592L96.6Very high94.3Very high2 Ų229.5 Ų29.51%0.0115%0.149CC..Hα-helixtrans-59.4-44.1174.2-79.9169.6000112E524 F529 A532 E588 R589 L594 Y595 L596E524-L592 HydrophobicContact CB-CD2 4.2Å; E524-L592 HydrophobicContact CG-CD2 3.68Å; E524-L592 HydrophobicContact CG-CG 4.33Å; F529-L592 HydrophobicContact CD1-CD2 3.83Å; A532-L592 HydrophobicContact CB-CD1 3.78Å; A532-L592 HydrophobicContact CB-CD2 4.49Å; E588-L592 VanDerWaalsContact O-CB 3.26Å; E588-L592 WeakPolarHBondContact O-CB 3.21Å; E588-L592 VanDerWaalsContact O-CG 3.24Å; E588-L592 WeakPolarHBondContact O-CG 3.37Å; E588-L592 PolarHBondContact O-N 3.38Å; R589-L592 PolarHBondContact O-N 2.95Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L592-L594 PolarHBondContact O-N 3.09Å; L592-Y595 PolarHBondContact O-N 3.47Å; L592-L596 WeakPolarHBondContact O-CB 3.41Å; L592-L596 VanDerWaalsContact O-CG 3.25Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.08Å
593D95.1Very high93.9Very high30 Ų3030.8 Ų30.816%0.1616%0.159CC..Hα-helixtrans-59.5-43.2175.9-76.8-30.4000111.5R589 M590 L591 E597 M611R589-D593 IonicContact CZ-OD1 3.92Å; R589-D593 IonicContact CZ-OD2 3.63Å; R589-D593 IonicContact NE-OD1 4Å; R589-D593 PolarHBondContact NE-OD1 3.45Å; R589-D593 IonicContact NE-OD2 3.39Å; R589-D593 PolarHBondContact NE-OD2 2.75Å; R589-D593 IonicContact NH2-OD1 2.85Å; R589-D593 PolarHBondContact NH2-OD1 2.83Å; R589-D593 IonicContact NH2-OD2 3.36Å; R589-D593 PolarHBondContact O-N 2.8Å; M590-D593 PolarHBondContact O-N 3.44Å; L591-D593 PolarHBondContact O-N 3.01Å; D593-E597 WeakPolarHBondContact O-CB 3.48Å; D593-E597 PolarHBondContact O-N 3.01Å; D593-M611 HydrophobicContact CB-SD 3.95Å
594L95.5Very high93.5Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-61.3-51.4173.2-67.9179.6000111.7M590 L591 L592 L596 G598 L604 V608 M611 L667 L670 W826 R934M590-L594 WeakPolarHBondContact O-CG 3.35Å; M590-L594 PolarHBondContact O-N 3.21Å; M590-L594 VanDerWaalsContact O-N 3.08Å; L591-L594 WeakPolarHBondContact O-CB 3.18Å; L591-L594 PolarHBondContact O-N 2.71Å; L592-L594 VanDerWaalsContact C-N 3.32Å; L592-L594 PolarHBondContact O-N 3.09Å; L594-L596 VanDerWaalsContact C-N 3.3Å; L594-L596 PolarHBondContact O-N 3.26Å; L594-G598 WeakPolarHBondContact O-CA 3.29Å; L594-G598 PolarHBondContact O-N 2.67Å; L594-L604 HydrophobicContact CD2-CD1 3.7Å; L594-V608 HydrophobicContact CD2-CG2 4.43Å; L594-M611 HydrophobicContact CD1-CE 4.42Å; L594-M611 HydrophobicContact CD2-CE 3.37Å; L594-M611 HydrophobicContact CG-CE 3.68Å; L594-L667 HydrophobicContact CD1-CD1 3.6Å; L594-L670 HydrophobicContact CD1-CD1 4.05Å; L594-W826 HydrophobicContact CB-CH2 3.73Å; L594-W826 HydrophobicContact CB-CZ2 4.21Å; L594-W826 HydrophobicContact CB-CZ3 4.45Å; L594-W826 VanDerWaalsContact O-CZ2 3.23Å; L594-W826 WeakPolarHBondContact O-CZ2 3.43Å; L594-R934 PolarHBondContact O-NH2 3.29Å; L594-R934 VanDerWaalsContact O-NH2 3.15Å
595Y95.6Very high93.1Very high6 Ų632.5 Ų32.52%0.02417%0.167CC..Hα-helixtrans-63.1-33.6-177.8-66.8-48.7000113.2L591 L592 E819 I823 W826 R934L591-Y595 HydrophobicContact CB-CD2 4.34Å; L591-Y595 HydrophobicContact CB-CE2 3.93Å; L591-Y595 WeakPolarHBondContact O-CD2 3.31Å; L591-Y595 PolarHBondContact O-N 2.7Å; L592-Y595 PolarHBondContact O-N 3.47Å; Y595-E819 HydrophobicContact CD2-CG 4.39Å; Y595-E819 HydrophobicContact CE1-CB 4.13Å; Y595-E819 HydrophobicContact CE1-CG 4.41Å; Y595-E819 HydrophobicContact CE2-CB 4.37Å; Y595-E819 HydrophobicContact CE2-CG 3.89Å; Y595-I823 HydrophobicContact CE1-CG1 4.37Å; Y595-W826 AromaticContact CD1-CH2 3.52Å; Y595-W826 HydrophobicContact CD1-CH2 3.52Å; Y595-W826 AromaticContact CD1-CZ3 3.99Å; Y595-W826 HydrophobicContact CD1-CZ3 3.99Å; Y595-W826 AromaticContact CE1-CH2 3.87Å; Y595-W826 HydrophobicContact CE1-CH2 3.87Å; Y595-W826 AromaticContact CE1-CZ3 3.84Å; Y595-W826 HydrophobicContact CE1-CZ3 3.84Å; Y595-W826 HydrophobicContact CG-CH2 4.4Å; Y595-R934 PolarHBondContact O-NH2 2.93Å
596L94.4Very high92.7Very high49 Ų4937.4 Ų37.426%0.25719%0.19SC..Hα-helixtrans-85.7-34.7-178.5-66.8172.2000113.4F529 L592 L594 L930F529-L596 HydrophobicContact CB-CD1 4.33Å; F529-L596 HydrophobicContact CB-CD2 3.91Å; F529-L596 HydrophobicContact CD2-CD2 4.44Å; F529-L596 HydrophobicContact CG-CD2 4.23Å; L592-L596 WeakPolarHBondContact O-CB 3.41Å; L592-L596 VanDerWaalsContact O-CG 3.25Å; L592-L596 WeakPolarHBondContact O-CG 3.44Å; L592-L596 PolarHBondContact O-N 3.08Å; L594-L596 VanDerWaalsContact C-N 3.3Å; L594-L596 PolarHBondContact O-N 3.26Å; L596-L930 HydrophobicContact CD2-CD1 4.37Å; L596-L930 HydrophobicContact CD2-CD2 3.98Å
597E92.1Very high92.4Very high84 Ų8435.5 Ų35.539%0.39318%0.184SC..Hα-helixtrans-119.8-32-168.2-56-173175.600114.4D593 D599 I600 V601 L602D593-E597 WeakPolarHBondContact O-CB 3.48Å; D593-E597 PolarHBondContact O-N 3.01Å; E597-D599 PolarHBondContact O-N 2.82Å; E597-I600 PolarHBondContact O-N 3.1Å; E597-V601 HydrophobicContact CB-CB 4.39Å; E597-V601 HydrophobicContact CB-CG2 4.49Å; E597-V601 PolarHBondContact O-N 2.62Å; E597-L602 PolarHBondContact O-N 3.22Å
598G89.9Confident92.1Very high0 Ų035.6 Ų35.60%018%0.184CC..BIsolated β-bridgetrans-65.8127.1-172.300000112.6L594 I600 L602 W826 R934L594-G598 WeakPolarHBondContact O-CA 3.29Å; L594-G598 PolarHBondContact O-N 2.67Å; G598-I600 PolarHBondContact O-N 2.78Å; G598-I600 VanDerWaalsContact O-N 3.17Å; G598-L602 CarbonylContact C-O 3.31Å; G598-W826 PolarHBondContact O-NE1 2.9Å; G598-R934 VanDerWaalsContact O-CZ 3.23Å; G598-R934 PolarHBondContact O-NH1 3.1Å; G598-R934 PolarHBondContact O-NH2 3.29Å
599D88.3Confident91.6Very high40 Ų4039 Ų3921%0.21420%0.199CC..THydrogen-bonded Turntrans57.98.2-168.9-73.7-8.9000115.7E597 L602 S603 L604 T937E597-D599 PolarHBondContact O-N 2.82Å; D599-L602 VanDerWaalsContact CA-O 3.23Å; D599-L602 WeakPolarHBondContact CA-O 3.31Å; D599-L602 PolarHBondContact N-O 3.45Å; D599-S603 WeakPolarHBondContact OD1-CA 3.3Å; D599-L604 PolarHBondContact OD1-N 3.36Å; D599-T937 VanDerWaalsContact O-CG2 3.23Å; D599-T937 WeakPolarHBondContact O-CG2 3.44Å
600I89.1Confident91Very high50 Ų5041.2 Ų41.226%0.25622%0.223SC..THydrogen-bonded Turntrans-104.3-54.7171.9-65.3172.4000110.2E597 G598 L930 K933 R934 T937E597-I600 PolarHBondContact O-N 3.1Å; G598-I600 PolarHBondContact O-N 2.78Å; G598-I600 VanDerWaalsContact O-N 3.17Å; I600-L930 HydrophobicContact CD1-CD1 3.64Å; I600-K933 HydrophobicContact CD1-CB 4.05Å; I600-K933 HydrophobicContact CG1-CB 4.49Å; I600-K933 HydrophobicContact CG2-CB 4.37Å; I600-K933 HydrophobicContact CG2-CD 4.31Å; I600-R934 HydrophobicContact CD1-CG 4.39Å; I600-T937 HydrophobicContact CG1-CG2 4.3Å
601V88.1Confident90.5Very high106 Ų10641.1 Ų41.164%0.64222%0.223SC*.THydrogen-bonded Turntrans-103.5-50-178.5-177.60000110.3E597E597-V601 HydrophobicContact CB-CB 4.39Å; E597-V601 HydrophobicContact CB-CG2 4.49Å; E597-V601 PolarHBondContact O-N 2.62Å
602L88Confident89.9Confident64 Ų6446.3 Ų46.334%0.33526%0.259SS..BIsolated β-bridgetrans-116.5156.1177.1-63.8177.3000109E597 G598 D599 E606E597-L602 PolarHBondContact O-N 3.22Å; G598-L602 CarbonylContact C-O 3.31Å; D599-L602 VanDerWaalsContact CA-O 3.23Å; D599-L602 WeakPolarHBondContact CA-O 3.31Å; D599-L602 PolarHBondContact N-O 3.45Å; L602-E606 HydrophobicContact CB-CB 4.14Å
603S89.5Confident89.3Confident39 Ų3947.5 Ų47.527%0.27327%0.266SS..  trans-64.4152.7167.864.80000110.7D599 E605 E606 S607D599-S603 WeakPolarHBondContact OD1-CA 3.3Å; S603-E605 PolarHBondContact O-N 2.85Å; S603-E605 VanDerWaalsContact O-N 3.12Å; S603-E606 WeakPolarHBondContact CB-OE2 3.47Å; S603-E606 PolarHBondContact N-OE2 3.46Å; S603-E606 PolarHBondContact O-N 3.28Å; S603-E606 VanDerWaalsContact OG-CD 3.22Å; S603-E606 VanDerWaalsContact OG-CG 3.27Å; S603-E606 WeakPolarHBondContact OG-CG 3.47Å; S603-E606 PolarHBondContact OG-N 3.41Å; S603-E606 PolarHBondContact OG-OE2 3.37Å; S603-S607 PolarHBondContact O-N 3.16Å; S603-S607 PolarHBondContact O-OG 3.14Å
604L89.6Confident88.7Confident10 Ų1048 Ų485%0.05227%0.271CS..Hα-helixtrans-51.7-38176.2179.162.9000112.5L594 D599 S607 V608 T674 W826L594-L604 HydrophobicContact CD2-CD1 3.7Å; D599-L604 PolarHBondContact OD1-N 3.36Å; L604-S607 PolarHBondContact O-N 3.44Å; L604-V608 HydrophobicContact CD1-CG2 4.25Å; L604-V608 HydrophobicContact CG-CG2 4.47Å; L604-V608 WeakPolarHBondContact O-CB 3.17Å; L604-V608 VanDerWaalsContact O-CG2 3.26Å; L604-V608 WeakPolarHBondContact O-CG2 3.35Å; L604-V608 PolarHBondContact O-N 3.4Å; L604-T674 HydrophobicContact CD2-CG2 4.23Å; L604-T674 HydrophobicContact CG-CG2 3.94Å; L604-W826 HydrophobicContact CD1-CD2 4.39Å; L604-W826 HydrophobicContact CD2-CB 3.95Å; L604-W826 HydrophobicContact CD2-CD2 4.46Å; L604-W826 HydrophobicContact CD2-CG 3.91Å
605E88.9Confident88.1Confident50 Ų5048.8 Ų48.823%0.23428%0.277CS..Hα-helixtrans-65-42.6177.9-176.8-178157.500112.6S603 K609 T674 P675S603-E605 PolarHBondContact O-N 2.85Å; S603-E605 VanDerWaalsContact O-N 3.12Å; E605-K609 HydrophobicContact CG-CD 4.23Å; E605-K609 WeakPolarHBondContact O-CB 3.45Å; E605-K609 VanDerWaalsContact O-CG 3.28Å; E605-K609 WeakPolarHBondContact O-CG 3.35Å; E605-K609 PolarHBondContact O-N 3.08Å; E605-K609 IonicContact OE1-NZ 3.99Å; E605-K609 PolarHBondContact OE1-NZ 3.4Å; E605-T674 HydrophobicContact CB-CG2 4.22Å; E605-P675 WeakPolarHBondContact OE2-CD 3.47Å
606E89Confident87.5Confident104 Ų10454.1 Ų54.149%0.48630%0.302SS..Hα-helixtrans-67.3-39.8176.3-72.7162.4152.500111.4L602 S603 K609 A610L602-E606 HydrophobicContact CB-CB 4.14Å; S603-E606 WeakPolarHBondContact CB-OE2 3.47Å; S603-E606 PolarHBondContact N-OE2 3.46Å; S603-E606 PolarHBondContact O-N 3.28Å; S603-E606 VanDerWaalsContact OG-CD 3.22Å; S603-E606 VanDerWaalsContact OG-CG 3.27Å; S603-E606 WeakPolarHBondContact OG-CG 3.47Å; S603-E606 PolarHBondContact OG-N 3.41Å; S603-E606 PolarHBondContact OG-OE2 3.37Å; E606-K609 PolarHBondContact O-N 3.34Å; E606-A610 VanDerWaalsContact O-CB 3.31Å; E606-A610 WeakPolarHBondContact O-CB 3.48Å; E606-A610 PolarHBondContact O-N 2.85Å
607S89.8Confident86.8Confident6 Ų658.5 Ų58.54%0.04232%0.321CS..Hα-helixtrans-62.4-47175.2-620000112S603 L604 K609 A610 M611S603-S607 PolarHBondContact O-N 3.16Å; S603-S607 PolarHBondContact O-OG 3.14Å; L604-S607 PolarHBondContact O-N 3.44Å; S607-K609 VanDerWaalsContact C-N 3.34Å; S607-K609 PolarHBondContact O-N 3.5Å; S607-A610 PolarHBondContact O-N 2.83Å; S607-M611 VanDerWaalsContact O-CE 3.25Å; S607-M611 WeakPolarHBondContact O-CE 3.45Å; S607-M611 PolarHBondContact O-N 2.95Å; S607-M611 VanDerWaalsContact O-N 3.12Å
608V88.8Confident86.4Confident7 Ų756.8 Ų56.84%0.04232%0.315CS..Hα-helixtrans-60.3-43.8177.1167.40000111L594 L604 M611 S612 L613 A671 T674L594-V608 HydrophobicContact CD2-CG2 4.43Å; L604-V608 HydrophobicContact CD1-CG2 4.25Å; L604-V608 HydrophobicContact CG-CG2 4.47Å; L604-V608 WeakPolarHBondContact O-CB 3.17Å; L604-V608 VanDerWaalsContact O-CG2 3.26Å; L604-V608 WeakPolarHBondContact O-CG2 3.35Å; L604-V608 PolarHBondContact O-N 3.4Å; V608-M611 PolarHBondContact O-N 2.85Å; V608-S612 PolarHBondContact O-N 3.19Å; V608-L613 HydrophobicContact CG1-CB 3.99Å; V608-L613 PolarHBondContact O-N 2.86Å; V608-L613 VanDerWaalsContact O-N 3.16Å; V608-A671 HydrophobicContact CG1-CB 4Å; V608-T674 HydrophobicContact CB-CG2 4.32Å; V608-T674 HydrophobicContact CG2-CG2 4.02Å
609K86.4Confident86.1Confident101 Ų10162.4 Ų62.444%0.43935%0.345SS..Hα-helixtrans-63.4-44.5175.6-76.5171.6176.3171.40112.4E605 E606 S607 M611 S612E605-K609 HydrophobicContact CG-CD 4.23Å; E605-K609 WeakPolarHBondContact O-CB 3.45Å; E605-K609 VanDerWaalsContact O-CG 3.28Å; E605-K609 WeakPolarHBondContact O-CG 3.35Å; E605-K609 PolarHBondContact O-N 3.08Å; E605-K609 IonicContact OE1-NZ 3.99Å; E605-K609 PolarHBondContact OE1-NZ 3.4Å; E606-K609 PolarHBondContact O-N 3.34Å; S607-K609 VanDerWaalsContact C-N 3.34Å; S607-K609 PolarHBondContact O-N 3.5Å; K609-M611 PolarHBondContact O-N 3.02Å; K609-S612 PolarHBondContact O-N 3.46Å
610A84.1Confident86.3Confident77 Ų7761 Ų6164%0.63634%0.337SS*.Hα-helixtrans-61.9-33.5-179.800000112.5E606 S607 S612E606-A610 VanDerWaalsContact O-CB 3.31Å; E606-A610 WeakPolarHBondContact O-CB 3.48Å; E606-A610 PolarHBondContact O-N 2.85Å; S607-A610 PolarHBondContact O-N 2.83Å; A610-S612 VanDerWaalsContact C-N 3.33Å
611M85.5Confident86.4Confident38 Ų3860.4 Ų60.419%0.18734%0.337CS..THydrogen-bonded Turntrans-84.9-2.8176.7-66.5-176.8-78.500114M590 D593 L594 S607 V608 K609 L613M590-M611 HydrophobicContact CB-SD 3.98Å; M590-M611 HydrophobicContact CG-SD 4.01Å; D593-M611 HydrophobicContact CB-SD 3.95Å; L594-M611 HydrophobicContact CD1-CE 4.42Å; L594-M611 HydrophobicContact CD2-CE 3.37Å; L594-M611 HydrophobicContact CG-CE 3.68Å; S607-M611 VanDerWaalsContact O-CE 3.25Å; S607-M611 WeakPolarHBondContact O-CE 3.45Å; S607-M611 PolarHBondContact O-N 2.95Å; S607-M611 VanDerWaalsContact O-N 3.12Å; V608-M611 PolarHBondContact O-N 2.85Å; K609-M611 PolarHBondContact O-N 3.02Å; M611-L613 HydrophobicContact CB-CD1 3.95Å; M611-L613 HydrophobicContact CB-CG 3.78Å; M611-L613 HydrophobicContact CE-CD1 3.42Å; M611-L613 VanDerWaalsContact CE-CD1 3.42Å; M611-L613 HydrophobicContact CE-CG 4.5Å; M611-L613 PolarHBondContact O-N 3.48Å; M611-L613 HydrophobicContact SD-CD1 3.95Å
612S83.4Confident86.7Confident109 Ų10957.9 Ų57.976%0.76232%0.316SS*.THydrogen-bonded Turntrans53.236.1-173-54.60000113.2V608 K609 A610 S614V608-S612 PolarHBondContact O-N 3.19Å; K609-S612 PolarHBondContact O-N 3.46Å; A610-S612 VanDerWaalsContact C-N 3.33Å; S612-S614 PolarHBondContact O-N 3.37Å
613L84.3Confident87Confident28 Ų2862.6 Ų62.615%0.14734%0.342CS..  trans-74.2123.3-179-78.9170.3000111.2M590 V608 M611 L667 A671M590-L613 HydrophobicContact CE-CD2 3.74Å; M590-L613 HydrophobicContact CE-CG 4.39Å; M590-L613 HydrophobicContact CG-CD2 4.31Å; M590-L613 HydrophobicContact SD-CD2 3.53Å; M590-L613 VanDerWaalsContact SD-CD2 3.53Å; M590-L613 HydrophobicContact SD-CG 4.49Å; V608-L613 HydrophobicContact CG1-CB 3.99Å; V608-L613 PolarHBondContact O-N 2.86Å; V608-L613 VanDerWaalsContact O-N 3.16Å; M611-L613 HydrophobicContact CB-CD1 3.95Å; M611-L613 HydrophobicContact CB-CG 3.78Å; M611-L613 HydrophobicContact CE-CD1 3.42Å; M611-L613 VanDerWaalsContact CE-CD1 3.42Å; M611-L613 HydrophobicContact CE-CG 4.5Å; M611-L613 PolarHBondContact O-N 3.48Å; M611-L613 HydrophobicContact SD-CD1 3.95Å; L613-L667 HydrophobicContact CD1-CD1 3.74Å; L613-L667 HydrophobicContact CD1-CG 4.29Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å; L613-L667 HydrophobicContact CD2-CD2 3.74Å; L613-L667 HydrophobicContact CD2-CG 3.92Å; L613-A671 HydrophobicContact CB-CB 4.31Å
614S81.9Confident87.2Confident39 Ų3963.3 Ų63.327%0.27334%0.344SS..  trans-101.4139.7174.2-174.70000111.1S612 E616 E617S612-S614 PolarHBondContact O-N 3.37Å; S614-E616 PolarHBondContact OG-N 3.36Å; S614-E617 PolarHBondContact OG-N 2.94Å; S614-E617 VanDerWaalsContact OG-N 3.16Å
615S83.4Confident87.5Confident17 Ų1763.7 Ų63.712%0.11935%0.346CS..SBendtrans-79.6-25.4168.6520000112.2R668 L699S615-R668 PolarHBondContact O-NE 3.35Å; S615-R668 VanDerWaalsContact O-NE 3.09Å; S615-R668 PolarHBondContact O-NH2 3.15Å; S615-L699 WeakPolarHBondContact OG-CD2 3.14Å
616E82.3Confident87.8Confident119 Ų11967.5 Ų67.556%0.55636%0.359SS*.SBendtrans-87.8-47.3-174.5-70.6172.9-160.200111.7S614 R668 L699S614-E616 PolarHBondContact OG-N 3.36Å; E616-R668 PolarHBondContact O-NH2 3.28Å; E616-L699 HydrophobicContact CB-CD2 4.37Å; E616-L699 HydrophobicContact CG-CD1 4.28Å; E616-L699 HydrophobicContact CG-CD2 3.3Å; E616-L699 HydrophobicContact CG-CG 4.4Å
617E81.1Confident88.2Confident141 Ų14164.5 Ų64.566%0.65935%0.346SS*.  trans-89.5134.7-175.7-61.6-178.8162.500110.5S614S614-E617 PolarHBondContact OG-N 2.94Å; S614-E617 VanDerWaalsContact OG-N 3.16Å
618D83.4Confident88.5Confident48 Ų4864.9 Ų64.926%0.25735%0.348SS..  trans-122.6112.2174.8-171.9-6.6000109V620 W622 R668D618-V620 PolarHBondContact O-N 3.18Å; D618-V620 WeakPolarHBondContact OD1-CB 3.47Å; D618-V620 VanDerWaalsContact OD1-CG2 3.31Å; D618-V620 WeakPolarHBondContact OD1-CG2 3.35Å; D618-V620 PolarHBondContact OD1-N 3.17Å; D618-W622 PolarHBondContact OD2-NE1 3.47Å; D618-R668 IonicContact OD2-NH1 3.41Å; D618-R668 PolarHBondContact OD2-NH1 3.32Å
619D84.4Confident88.9Confident118 Ų11865.1 Ų65.163%0.63135%0.348SS*.  trans-82.77.8-177.8-62.5-28.2000112.4R586R586-D619 PolarHBondContact NH1-O 3.27Å; R586-D619 PolarHBondContact NH2-O 3.31Å
620V91.6Very high89.4Confident9 Ų963 Ų636%0.05534%0.341CS..  trans-84.7123.4177.2-179.40000109.8A583 R586 D618 W622 L625 L660A583-V620 HydrophobicContact CB-CG1 4.13Å; A583-V620 HydrophobicContact CB-CG2 4.37Å; R586-V620 VanDerWaalsContact NH2-CG2 3.32Å; D618-V620 PolarHBondContact O-N 3.18Å; D618-V620 WeakPolarHBondContact OD1-CB 3.47Å; D618-V620 VanDerWaalsContact OD1-CG2 3.31Å; D618-V620 WeakPolarHBondContact OD1-CG2 3.35Å; D618-V620 PolarHBondContact OD1-N 3.17Å; V620-W622 HydrophobicContact CB-CD2 4.25Å; V620-W622 HydrophobicContact CB-CH2 4.48Å; V620-W622 HydrophobicContact CB-CZ2 3.88Å; V620-W622 HydrophobicContact CG1-CD2 3.7Å; V620-W622 HydrophobicContact CG1-CE3 3.9Å; V620-W622 HydrophobicContact CG1-CG 4.26Å; V620-W622 HydrophobicContact CG1-CH2 3.92Å; V620-W622 HydrophobicContact CG1-CZ2 3.77Å; V620-W622 HydrophobicContact CG1-CZ3 4.01Å; V620-W622 HydrophobicContact CG2-CZ2 4.22Å; V620-W622 PolarHBondContact O-N 3.25Å; V620-L625 HydrophobicContact CG1-CD1 4.44Å; V620-L625 HydrophobicContact CG1-CD2 4.37Å; V620-L660 HydrophobicContact CG1-CD2 4.39Å
621P92Very high90Very high39 Ų3959.8 Ų59.825%0.25331%0.313SS..  trans-8363.7-17734.9-36.3000112Q578 D623 T624 L625Q578-P621 HydrophobicContact CB-CG 4.33Å; Q578-P621 HydrophobicContact CG-CB 4.38Å; Q578-P621 HydrophobicContact CG-CG 4.21Å; P621-D623 VanDerWaalsContact C-N 3.28Å; P621-D623 PolarHBondContact O-N 2.91Å; P621-T624 PolarHBondContact O-N 3.34Å; P621-T624 PolarHBondContact O-OG1 2.84Å; P621-L625 HydrophobicContact CG-CD2 4.24Å; P621-L625 PolarHBondContact O-N 3.3Å
622W94.3Very high90.4Very high53 Ų5362.3 Ų62.320%0.20133%0.331CS..G310 helixtrans-45.3-42.1-169.3-67.5111.1000115.6D618 V620 T624 L625 T657 L660 R661D618-W622 PolarHBondContact OD2-NE1 3.47Å; V620-W622 HydrophobicContact CB-CD2 4.25Å; V620-W622 HydrophobicContact CB-CH2 4.48Å; V620-W622 HydrophobicContact CB-CZ2 3.88Å; V620-W622 HydrophobicContact CG1-CD2 3.7Å; V620-W622 HydrophobicContact CG1-CE3 3.9Å; V620-W622 HydrophobicContact CG1-CG 4.26Å; V620-W622 HydrophobicContact CG1-CH2 3.92Å; V620-W622 HydrophobicContact CG1-CZ2 3.77Å; V620-W622 HydrophobicContact CG1-CZ3 4.01Å; V620-W622 HydrophobicContact CG2-CZ2 4.22Å; V620-W622 PolarHBondContact O-N 3.25Å; W622-T624 VanDerWaalsContact C-N 3.33Å; W622-T624 PolarHBondContact O-N 2.89Å; W622-L625 HydrophobicContact CE3-CD1 3.92Å; W622-L625 HydrophobicContact CZ3-CD1 4.31Å; W622-T657 HydrophobicContact CE3-CG2 4.2Å; W622-T657 HydrophobicContact CZ3-CG2 4.15Å; W622-L660 HydrophobicContact CH2-CB 4.49Å; W622-L660 HydrophobicContact CH2-CD2 4.3Å; W622-L660 HydrophobicContact CH2-CG 3.89Å; W622-L660 HydrophobicContact CZ3-CD2 4.17Å; W622-L660 HydrophobicContact CZ3-CG 4.14Å; W622-R661 HydrophobicContact CH2-CB 3.64Å; W622-R661 HydrophobicContact CH2-CG 4.06Å; W622-R661 HydrophobicContact CZ2-CB 4.34Å; W622-R661 HydrophobicContact CZ2-CG 4.28Å; W622-R661 HydrophobicContact CZ3-CB 3.87Å; W622-R661 HydrophobicContact CZ3-CG 4.43Å
623D92.6Very high91Very high163 Ų16358.5 Ų58.587%0.87230%0.303SS*.G310 helixtrans-80-14.3-175.7-57.4-43.1000113.8P621P621-D623 VanDerWaalsContact C-N 3.28Å; P621-D623 PolarHBondContact O-N 2.91Å
624T93.9Very high91.6Very high54 Ų5458 Ų5833%0.33130%0.3SS..G310 helixtrans-12511.7-172.559.60000113.4Q578 P621 W622Q578-T624 WeakPolarHBondContact CB-O 3.34Å; Q578-T624 PolarHBondContact NE2-OG1 3.33Å; P621-T624 PolarHBondContact O-N 3.34Å; P621-T624 PolarHBondContact O-OG1 2.84Å; W622-T624 VanDerWaalsContact C-N 3.33Å; W622-T624 PolarHBondContact O-N 2.89Å
625L95.6Very high92.2Very high18 Ų1858.1 Ų58.19%0.09430%0.299CS..  trans-51.6140.5178.5-78.3169.6000112Q578 A583 V620 P621 W622 T657Q578-L625 CarbonylContact O-C 3.39Å; Q578-L625 WeakPolarHBondContact O-CA 3.45Å; A583-L625 HydrophobicContact CB-CD2 4.33Å; V620-L625 HydrophobicContact CG1-CD1 4.44Å; V620-L625 HydrophobicContact CG1-CD2 4.37Å; P621-L625 HydrophobicContact CG-CD2 4.24Å; P621-L625 PolarHBondContact O-N 3.3Å; W622-L625 HydrophobicContact CE3-CD1 3.92Å; W622-L625 HydrophobicContact CZ3-CD1 4.31Å; L625-T657 HydrophobicContact CD1-CG2 4.23Å
626R95.9Very high92.7Very high129 Ų12959 Ų5949%0.48730%0.302SS..BIsolated β-bridgetrans-123.1121.1179.3-65.6-62.4-178.4-130.27.1110.1R575 Q578 S579 L580 N628R575-R626 HydrophobicContact CG-CB 4.31Å; R575-R626 HydrophobicContact CG-CG 4.32Å; Q578-R626 HydrophobicContact CB-CG 4.24Å; Q578-R626 PolarHBondContact O-N 2.8Å; S579-R626 WeakPolarHBondContact CA-O 3.28Å; L580-R626 PolarHBondContact N-O 2.91Å; R626-N628 PolarHBondContact O-N 3.41Å
627D97Very high93.3Very high42 Ų4254 Ų5423%0.22528%0.278CS..  trans-83108.3168.9-165.7-5.6000109.5L580 R629 L653L580-D627 HydrophobicContact CD2-CB 4.38Å; D627-R629 WeakPolarHBondContact OD1-CB 3.22Å; D627-R629 VanDerWaalsContact OD1-CG 3.24Å; D627-R629 WeakPolarHBondContact OD1-CG 3.29Å; D627-R629 IonicContact OD1-CZ 3.27Å; D627-R629 PolarHBondContact OD1-N 3.28Å; D627-R629 VanDerWaalsContact OD1-N 3.15Å; D627-R629 IonicContact OD1-NE 3.11Å; D627-R629 PolarHBondContact OD1-NE 2.98Å; D627-R629 IonicContact OD1-NH2 2.91Å; D627-R629 IonicContact OD2-CZ 3.29Å; D627-R629 IonicContact OD2-NE 3.75Å; D627-R629 PolarHBondContact OD2-NE 2.75Å; D627-R629 IonicContact OD2-NH2 2.97Å; D627-R629 PolarHBondContact OD2-NH2 3.35Å; D627-L653 HydrophobicContact CB-CD1 4.07Å
628N97.1Very high94Very high14 Ų1448.2 Ų48.28%0.07525%0.252CS..  trans-104.45.2180-60.4-30.3000112.5D513 R575 R626 D630D513-N628 WeakPolarHBondContact OD2-CB 3.28Å; D513-N628 PolarHBondContact OD2-ND2 2.71Å; R575-N628 WeakPolarHBondContact CG-OD1 3.49Å; R575-N628 PolarHBondContact NE-OD1 2.85Å; R575-N628 PolarHBondContact NH2-OD1 2.88Å; R575-N628 PolarHBondContact O-ND2 3.46Å; R626-N628 PolarHBondContact O-N 3.41Å; N628-D630 PolarHBondContact O-N 3.09Å
629R97.3Very high94.4Very high12 Ų1246.6 Ų46.65%0.04524%0.244CC..  trans-62.3134.7-179-63176-62.11654.6110.3T514 F517 D627 L631 S652 E656T514-R629 WeakPolarHBondContact O-CA 3.44Å; F517-R629 HydrophobicContact CB-CG 4.2Å; F517-R629 HydrophobicContact CD1-CB 3.86Å; F517-R629 HydrophobicContact CD1-CG 3.7Å; F517-R629 HydrophobicContact CE1-CB 3.89Å; F517-R629 HydrophobicContact CE1-CG 4.25Å; F517-R629 HydrophobicContact CG-CB 4.46Å; F517-R629 HydrophobicContact CG-CG 3.94Å; D627-R629 WeakPolarHBondContact OD1-CB 3.22Å; D627-R629 VanDerWaalsContact OD1-CG 3.24Å; D627-R629 WeakPolarHBondContact OD1-CG 3.29Å; D627-R629 IonicContact OD1-CZ 3.27Å; D627-R629 PolarHBondContact OD1-N 3.28Å; D627-R629 VanDerWaalsContact OD1-N 3.15Å; D627-R629 IonicContact OD1-NE 3.11Å; D627-R629 PolarHBondContact OD1-NE 2.98Å; D627-R629 IonicContact OD1-NH2 2.91Å; D627-R629 IonicContact OD2-CZ 3.29Å; D627-R629 IonicContact OD2-NE 3.75Å; D627-R629 PolarHBondContact OD2-NE 2.75Å; D627-R629 IonicContact OD2-NH2 2.97Å; D627-R629 PolarHBondContact OD2-NH2 3.35Å; R629-L631 HydrophobicContact CB-CD2 3.93Å; R629-L631 HydrophobicContact CB-CG 4.36Å; R629-L631 PolarHBondContact O-N 3.22Å; R629-L631 VanDerWaalsContact O-N 3.13Å; R629-S652 PolarHBondContact NH2-OG 2.94Å; R629-E656 IonicContact CZ-OE1 2.77Å; R629-E656 IonicContact NH1-OE1 3.51Å; R629-E656 PolarHBondContact NH1-OE1 2.99Å
630D97.2Very high94.6Very high55 Ų5549.4 Ų49.429%0.29425%0.25SS..  trans-82.790.8172.8-173-3.4000109.7T514 I515 N628 T632 V633T514-D630 PolarHBondContact O-N 3.19Å; I515-D630 HydrophobicContact CG2-CB 4.39Å; N628-D630 PolarHBondContact O-N 3.09Å; D630-T632 PolarHBondContact O-N 3.35Å; D630-T632 WeakPolarHBondContact OD1-CA 3.49Å; D630-T632 PolarHBondContact OD1-N 3.33Å; D630-T632 PolarHBondContact OD1-OG1 3.16Å; D630-V633 HydrophobicContact CB-CB 4.37Å; D630-V633 PolarHBondContact OD1-N 3.47Å; D630-V633 VanDerWaalsContact OD1-N 3.09Å
631L95.9Very high94.4Very high10 Ų1056.8 Ų56.85%0.05228%0.284CS..THydrogen-bonded Turntrans-8112.2176.2-51-179.4000112.9F517 R629 L644 R649 P729F517-L631 HydrophobicContact CZ-CD2 4.08Å; R629-L631 HydrophobicContact CB-CD2 3.93Å; R629-L631 HydrophobicContact CB-CG 4.36Å; R629-L631 PolarHBondContact O-N 3.22Å; R629-L631 VanDerWaalsContact O-N 3.13Å; L631-L644 HydrophobicContact CB-CD2 3.51Å; L631-L644 HydrophobicContact CD1-CD2 4.23Å; L631-L644 WeakPolarHBondContact O-CD2 3.07Å; L631-R649 HydrophobicContact CD1-CG 4.27Å; L631-P729 HydrophobicContact CD1-CB 4.06Å; L631-P729 HydrophobicContact CD1-CG 4.25Å; L631-P729 HydrophobicContact CD2-CB 3.96Å
632T94.7Very high94.3Very high92 Ų9260.1 Ų60.156%0.56429%0.292SS*.THydrogen-bonded Turntrans-127.58.1-178.1410000113.2D630 F634D630-T632 PolarHBondContact O-N 3.35Å; D630-T632 WeakPolarHBondContact OD1-CA 3.49Å; D630-T632 PolarHBondContact OD1-N 3.33Å; D630-T632 PolarHBondContact OD1-OG1 3.16Å; T632-F634 PolarHBondContact O-N 3.15Å
633V95.7Very high94.2Very high28 Ų2860 Ų6017%0.1729%0.293CS..  trans-64.4-28-179710000113.1Q480 L483 I515 D630Q480-V633 PolarHBondContact NE2-O 3.1Å; L483-V633 HydrophobicContact CD1-CG1 4.41Å; L483-V633 HydrophobicContact CD1-CG2 3.74Å; I515-V633 HydrophobicContact CG2-CB 4.39Å; I515-V633 HydrophobicContact CG2-CG1 4.43Å; I515-V633 HydrophobicContact CG2-CG2 4.12Å; D630-V633 HydrophobicContact CB-CB 4.37Å; D630-V633 PolarHBondContact OD1-N 3.47Å; D630-V633 VanDerWaalsContact OD1-N 3.09Å
634F95.9Very high94.2Very high18 Ų1853.9 Ų53.98%0.07926%0.26CS..SBendtrans-77.4127.9175.8-62.1-83.3000110.5L483 L487 L518 T632 N636 L727L483-F634 HydrophobicContact CB-CD1 4.17Å; L483-F634 HydrophobicContact CB-CE1 3.74Å; L483-F634 HydrophobicContact CB-CZ 4.49Å; L483-F634 WeakPolarHBondContact O-CE1 3.38Å; L487-F634 HydrophobicContact CB-CE1 4.22Å; L487-F634 HydrophobicContact CB-CZ 4.2Å; L487-F634 HydrophobicContact CD2-CE1 4.09Å; L487-F634 HydrophobicContact CD2-CZ 4.03Å; L518-F634 HydrophobicContact CD2-CZ 4.38Å; T632-F634 PolarHBondContact O-N 3.15Å; F634-N636 PolarHBondContact O-N 2.99Å; F634-L727 HydrophobicContact CB-CB 4.11Å; F634-L727 HydrophobicContact CB-CD1 4.39Å; F634-L727 HydrophobicContact CB-CD2 4.28Å; F634-L727 HydrophobicContact CB-CG 4.49Å; F634-L727 HydrophobicContact CD1-CD2 4.23Å; F634-L727 HydrophobicContact CG-CB 4.4Å; F634-L727 HydrophobicContact CG-CD2 4.26Å
635T95.1Very high94.2Very high41 Ų4153.9 Ų53.925%0.25226%0.261SS..  trans-62.5126.5173.6-58.60000109.2H446 Q480 W637H446-T635 PolarHBondContact CE1-O 2.95Å; Q480-T635 PolarHBondContact OE1-OG1 2.98Å; T635-W637 HydrophobicContact CG2-CD2 4.11Å; T635-W637 HydrophobicContact CG2-CE3 4.42Å; T635-W637 HydrophobicContact CG2-CH2 3.71Å; T635-W637 HydrophobicContact CG2-CZ2 3.29Å; T635-W637 HydrophobicContact CG2-CZ3 4.24Å
636N93.8Very high94.2Very high36 Ų3659 Ų5919%0.19329%0.288CS..  trans-135.1120.1-176.2-171.5-20.2000111.1K343 F634 D638 L727K343-N636 PolarHBondContact NZ-O 3.44Å; F634-N636 PolarHBondContact O-N 2.99Å; N636-D638 WeakPolarHBondContact OD1-CA 3.4Å; N636-D638 WeakPolarHBondContact OD1-CB 3.05Å; N636-D638 PolarHBondContact OD1-N 3.5Å; N636-D638 PolarHBondContact OD1-OD2 3.38Å; N636-L727 HydrophobicContact CB-CD1 4.34Å
637W95.5Very high94.1Very high15 Ų1558.8 Ų58.86%0.05729%0.293CS..  trans-109.215.2175.4-52.8-77.3000113.2Q392 R395 A396 M439 L442 M443 H446 T635Q392-W637 HydrophobicContact CB-CG 4.36Å; Q392-W637 HydrophobicContact CG-CD2 4.21Å; Q392-W637 HydrophobicContact CG-CG 4.33Å; Q392-W637 HydrophobicContact CG-CZ2 4.32Å; R395-W637 CarbonylContact C-O 3.54Å; R395-W637 HydrophobicContact CB-CB 4.33Å; R395-W637 HydrophobicContact CG-CB 4.33Å; A396-W637 WeakPolarHBondContact CA-O 3.4Å; A396-W637 PolarHBondContact N-O 2.9Å; A396-W637 VanDerWaalsContact N-O 3.07Å; M439-W637 HydrophobicContact CB-CH2 4.4Å; M439-W637 HydrophobicContact SD-CH2 3.64Å; M439-W637 HydrophobicContact SD-CZ2 3.71Å; L442-W637 HydrophobicContact CB-CH2 4.26Å; L442-W637 HydrophobicContact CB-CZ3 4.36Å; L442-W637 HydrophobicContact CD2-CH2 3.76Å; L442-W637 HydrophobicContact CD2-CZ3 4.08Å; L442-W637 HydrophobicContact CG-CH2 4.08Å; L442-W637 HydrophobicContact CG-CZ3 4Å; M443-W637 HydrophobicContact CG-CE3 3.94Å; M443-W637 HydrophobicContact CG-CH2 4.16Å; M443-W637 HydrophobicContact CG-CZ3 3.61Å; H446-W637 AromaticContact CE1-CE3 3.96Å; H446-W637 AromaticContact CE1-CZ3 3.85Å; H446-W637 AromaticContact ND1-CE3 3.82Å; H446-W637 AromaticContact ND1-CZ3 3.93Å; T635-W637 HydrophobicContact CG2-CD2 4.11Å; T635-W637 HydrophobicContact CG2-CE3 4.42Å; T635-W637 HydrophobicContact CG2-CH2 3.71Å; T635-W637 HydrophobicContact CG2-CZ2 3.29Å; T635-W637 HydrophobicContact CG2-CZ3 4.24Å
638D94.6Very high94Very high18 Ų1858.8 Ų58.810%0.09629%0.291CS..  trans-67.8154.1177.6-62-18.3000111R395 H401 N636 R642 Q643R395-D638 IonicContact CZ-OD1 3.92Å; R395-D638 IonicContact NE-OD1 2.68Å; R395-D638 PolarHBondContact NE-OD1 3.46Å; R395-D638 IonicContact NH2-OD1 3.09Å; R395-D638 PolarHBondContact NH2-OD1 2.94Å; H401-D638 IonicContact CE1-OD1 3.55Å; H401-D638 IonicContact NE2-OD1 3.09Å; N636-D638 WeakPolarHBondContact OD1-CA 3.4Å; N636-D638 WeakPolarHBondContact OD1-CB 3.05Å; N636-D638 PolarHBondContact OD1-N 3.5Å; N636-D638 PolarHBondContact OD1-OD2 3.38Å; D638-R642 HydrophobicContact CB-CB 4.09Å; D638-Q643 PolarHBondContact O-NE2 2.86Å
639P93.3Very high93.9Very high14 Ų1461.9 Ų61.99%0.09130%0.302CS..  trans-63.8155.3175.329.8-37.7000111.1A396 H401 Q641 R642 Q643A396-P639 WeakPolarHBondContact O-CA 3.25Å; A396-P639 WeakPolarHBondContact O-CB 3.24Å; H401-P639 VanDerWaalsContact CE1-CD 3.41Å; H401-P639 WeakPolarHBondContact CE1-CD 3.46Å; P639-Q641 PolarHBondContact O-N 3.23Å; P639-R642 HydrophobicContact CG-CB 4.47Å; P639-R642 HydrophobicContact CG-CG 4.33Å; P639-R642 PolarHBondContact O-N 3Å; P639-Q643 PolarHBondContact O-N 3.41Å
640K87.8Confident93.8Very high177 Ų17765.7 Ų65.777%0.7733%0.327SS*.G310 helixtrans-51.3-32.6-172.9-170.2175.3-179177.20113.5R642 Q643K640-R642 VanDerWaalsContact C-N 3.3Å; K640-R642 PolarHBondContact O-N 3.43Å; K640-Q643 PolarHBondContact O-N 2.93Å
641Q88.2Confident93.7Very high165 Ų16566.5 Ų66.577%0.77133%0.326SS*.G310 helixtrans-70-21.9-179.9-55.983.5-2.100114P639P639-Q641 PolarHBondContact O-N 3.23Å
642R89.7Confident93.7Very high109 Ų10966 Ų6641%0.41132%0.323SS..G310 helixtrans-101.6-5.7179.4-69.4-173.7173.9-1341.6113.2H401 D638 P639 K640H401-R642 VanDerWaalsContact CD2-CZ 3.46Å; H401-R642 PolarHBondContact CD2-NH1 3.44Å; D638-R642 HydrophobicContact CB-CB 4.09Å; P639-R642 HydrophobicContact CG-CB 4.47Å; P639-R642 HydrophobicContact CG-CG 4.33Å; P639-R642 PolarHBondContact O-N 3Å; K640-R642 VanDerWaalsContact C-N 3.3Å; K640-R642 PolarHBondContact O-N 3.43Å
643Q90.9Very high93.8Very high50 Ų5064.3 Ų64.323%0.23431%0.31CS..SBendtrans-77166.3179.3-70.1178.612.600112.1D638 P639 K640 T645D638-Q643 PolarHBondContact O-NE2 2.86Å; P639-Q643 PolarHBondContact O-N 3.41Å; K640-Q643 PolarHBondContact O-N 2.93Å; Q643-T645 PolarHBondContact O-N 2.91Å
644L93.6Very high93.8Very high34 Ų3466.1 Ų66.118%0.17832%0.317CS..PPolyproline II helixtrans-63.9124.2174.2-176.966.9000110.8L631 H648 R649 P729L631-L644 HydrophobicContact CB-CD2 3.51Å; L631-L644 HydrophobicContact CD1-CD2 4.23Å; L631-L644 WeakPolarHBondContact O-CD2 3.07Å; L644-H648 HydrophobicContact CD1-CB 3.49Å; L644-H648 VanDerWaalsContact CD1-CB 3.49Å; L644-R649 HydrophobicContact CD2-CG 4.06Å; L644-R649 HydrophobicContact CG-CG 4.21Å; L644-P729 HydrophobicContact CD1-CG 4.21Å
645T94.4Very high93.8Very high55 Ų5566 Ų6634%0.33732%0.317SS..PPolyproline II helixtrans-97.8162.3177.9660000111.4Q643 E647 H648 R649Q643-T645 PolarHBondContact O-N 2.91Å; T645-E647 PolarHBondContact O-N 3.01Å; T645-H648 WeakPolarHBondContact O-CB 3.26Å; T645-H648 PolarHBondContact O-N 3.36Å; T645-H648 VanDerWaalsContact O-N 3.15Å; T645-H648 VanDerWaalsContact OG1-CG 3.29Å; T645-H648 PolarHBondContact OG1-N 2.86Å; T645-H648 VanDerWaalsContact OG1-N 3.15Å; T645-H648 PolarHBondContact OG1-ND1 3.32Å; T645-R649 PolarHBondContact O-N 2.89Å; T645-R649 VanDerWaalsContact O-N 3.12Å
646D94Very high93.9Very high126 Ų12664.4 Ų64.467%0.67431%0.306SS*.Hα-helixtrans-65.3-27.4173.8-66.9-33.6000112.6R649 T650D646-R649 PolarHBondContact O-N 3.49Å; D646-T650 WeakPolarHBondContact O-CB 2.85Å; D646-T650 PolarHBondContact O-N 3.48Å; D646-T650 PolarHBondContact O-OG1 3.38Å
647E94.1Very high94.1Very high124 Ų12464 Ų6458%0.57931%0.305SS*.Hα-helixtrans-64.1-46.1170.8-175.7171.4-16900110.8T645 R649 T650 R651T645-E647 PolarHBondContact O-N 3.01Å; E647-R649 VanDerWaalsContact C-N 3.3Å; E647-R649 PolarHBondContact O-N 3.49Å; E647-T650 PolarHBondContact O-N 3.1Å; E647-R651 HydrophobicContact CG-CG 4.27Å; E647-R651 WeakPolarHBondContact O-CB 3.41Å; E647-R651 VanDerWaalsContact O-CG 3.28Å; E647-R651 WeakPolarHBondContact O-CG 3.34Å; E647-R651 PolarHBondContact O-N 3.22Å; E647-R651 IonicContact OE1-NH2 2.81Å
648H95.3Very high94.2Very high42 Ų4263.9 Ų63.919%0.19431%0.307CS..Hα-helixtrans-58.9-40.5175.1-68155.4000112.2L644 T645 R651 S652 Y724L644-H648 HydrophobicContact CD1-CB 3.49Å; L644-H648 VanDerWaalsContact CD1-CB 3.49Å; T645-H648 WeakPolarHBondContact O-CB 3.26Å; T645-H648 PolarHBondContact O-N 3.36Å; T645-H648 VanDerWaalsContact O-N 3.15Å; T645-H648 VanDerWaalsContact OG1-CG 3.29Å; T645-H648 PolarHBondContact OG1-N 2.86Å; T645-H648 VanDerWaalsContact OG1-N 3.15Å; T645-H648 PolarHBondContact OG1-ND1 3.32Å; H648-R651 PolarHBondContact O-N 2.94Å; H648-S652 WeakPolarHBondContact O-CB 3.49Å; H648-S652 PolarHBondContact O-N 2.95Å; H648-Y724 HydrophobicContact CB-CD1 4.12Å; H648-Y724 HydrophobicContact CB-CE1 4.41Å
649R95.9Very high94.4Very high79 Ų7964.1 Ų64.130%0.29831%0.307SS..Hα-helixtrans-62.1-46.3175.6-65.3178.3-178.8-89.12.7111.6L631 L644 T645 D646 E647 S652 L653L631-R649 HydrophobicContact CD1-CG 4.27Å; L644-R649 HydrophobicContact CD2-CG 4.06Å; L644-R649 HydrophobicContact CG-CG 4.21Å; T645-R649 PolarHBondContact O-N 2.89Å; T645-R649 VanDerWaalsContact O-N 3.12Å; D646-R649 PolarHBondContact O-N 3.49Å; E647-R649 VanDerWaalsContact C-N 3.3Å; E647-R649 PolarHBondContact O-N 3.49Å; R649-S652 PolarHBondContact O-N 2.92Å; R649-L653 PolarHBondContact O-N 3.43Å
650T95.1Very high94.6Very high92 Ų9263.5 Ų63.556%0.56430%0.303SS*.Hα-helixtrans-62.8-44.2179.2-56.30000111.3D646 E647 L653 E654D646-T650 WeakPolarHBondContact O-CB 2.85Å; D646-T650 PolarHBondContact O-N 3.48Å; D646-T650 PolarHBondContact O-OG1 3.38Å; E647-T650 PolarHBondContact O-N 3.1Å; T650-L653 PolarHBondContact O-N 2.92Å; T650-E654 PolarHBondContact O-N 3Å
651R94.9Very high95.1Very high72 Ų7259.6 Ų59.627%0.27228%0.283SS..Hα-helixtrans-64.5-42.2176.2-68.4-62.6-174.7-156.5-5112.4E647 H648 L653 E654 E655 K720 T722 Y724E647-R651 HydrophobicContact CG-CG 4.27Å; E647-R651 WeakPolarHBondContact O-CB 3.41Å; E647-R651 VanDerWaalsContact O-CG 3.28Å; E647-R651 WeakPolarHBondContact O-CG 3.34Å; E647-R651 PolarHBondContact O-N 3.22Å; E647-R651 IonicContact OE1-NH2 2.81Å; H648-R651 PolarHBondContact O-N 2.94Å; R651-L653 VanDerWaalsContact C-N 3.33Å; R651-L653 PolarHBondContact O-N 3.41Å; R651-E654 WeakPolarHBondContact CD-OE2 3.42Å; R651-E654 IonicContact CZ-OE2 3.44Å; R651-E654 IonicContact NH1-OE1 3.47Å; R651-E654 IonicContact NH1-OE2 3.82Å; R651-E654 PolarHBondContact NH1-OE2 2.86Å; R651-E654 WeakPolarHBondContact O-CB 3.29Å; R651-E654 PolarHBondContact O-N 3.34Å; R651-E655 WeakPolarHBondContact O-CB 3.47Å; R651-E655 PolarHBondContact O-N 3.4Å; R651-K720 VanDerWaalsContact NH1-NZ 3.16Å; R651-T722 HydrophobicContact CB-CG2 4.25Å; R651-T722 HydrophobicContact CG-CG2 4.42Å; R651-Y724 HydrophobicContact CB-CE1 4.24Å
652S96.3Very high95.5Very high0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-60.4-44.8175.7179.90000111R629 H648 R649 E655 E656 Y724 P729R629-S652 PolarHBondContact NH2-OG 2.94Å; H648-S652 WeakPolarHBondContact O-CB 3.49Å; H648-S652 PolarHBondContact O-N 2.95Å; R649-S652 PolarHBondContact O-N 2.92Å; S652-E655 PolarHBondContact O-N 2.91Å; S652-E656 WeakPolarHBondContact O-CB 3.37Å; S652-E656 WeakPolarHBondContact O-CG 3.41Å; S652-E656 PolarHBondContact O-N 2.85Å; S652-Y724 WeakPolarHBondContact CA-OH 3.33Å; S652-Y724 PolarHBondContact N-OH 3.08Å; S652-P729 VanDerWaalsContact OG-CB 3.28Å; S652-P729 WeakPolarHBondContact OG-CB 3.42Å
653L96.4Very high95.9Very high56 Ų5646.7 Ų46.729%0.29323%0.228SC..Hα-helixtrans-63.4-41.8176.3178.156000112.7L580 D627 R649 T650 R651 E655 T657L580-L653 HydrophobicContact CD2-CD1 3.87Å; D627-L653 HydrophobicContact CB-CD1 4.07Å; R649-L653 PolarHBondContact O-N 3.43Å; T650-L653 PolarHBondContact O-N 2.92Å; R651-L653 VanDerWaalsContact C-N 3.33Å; R651-L653 PolarHBondContact O-N 3.41Å; L653-E655 VanDerWaalsContact C-N 3.31Å; L653-E655 PolarHBondContact O-N 2.99Å; L653-T657 VanDerWaalsContact O-CB 3.27Å; L653-T657 WeakPolarHBondContact O-CB 3.01Å; L653-T657 PolarHBondContact O-N 3.39Å; L653-T657 PolarHBondContact O-OG1 3.44Å
654E95.6Very high96.2Very high65 Ų6544.6 Ų44.630%0.30422%0.218SC..Hα-helixtrans-56.9-46.8174.6-173.6-176.3-178.400110.6T650 R651 A658 I717 K720T650-E654 PolarHBondContact O-N 3Å; R651-E654 WeakPolarHBondContact CD-OE2 3.42Å; R651-E654 IonicContact CZ-OE2 3.44Å; R651-E654 IonicContact NH1-OE1 3.47Å; R651-E654 IonicContact NH1-OE2 3.82Å; R651-E654 PolarHBondContact NH1-OE2 2.86Å; R651-E654 WeakPolarHBondContact O-CB 3.29Å; R651-E654 PolarHBondContact O-N 3.34Å; E654-A658 WeakPolarHBondContact O-CB 3.21Å; E654-A658 PolarHBondContact O-N 3.32Å; E654-I717 HydrophobicContact CG-CD1 4Å; E654-I717 HydrophobicContact CG-CG1 4.45Å; E654-K720 IonicContact OE1-NZ 2.85Å; E654-K720 PolarHBondContact OE1-NZ 2.86Å; E654-K720 IonicContact OE2-NZ 3.8Å
655E96.3Very high96.4Very high17 Ų1743.3 Ų43.38%0.07921%0.211CC..Hα-helixtrans-67-47.2-179.4-157.3-169.9151.100112.7R651 S652 L653 T657 A658 W659 Y724 T732 M734R651-E655 WeakPolarHBondContact O-CB 3.47Å; R651-E655 PolarHBondContact O-N 3.4Å; S652-E655 PolarHBondContact O-N 2.91Å; L653-E655 VanDerWaalsContact C-N 3.31Å; L653-E655 PolarHBondContact O-N 2.99Å; E655-T657 VanDerWaalsContact C-N 3.33Å; E655-T657 PolarHBondContact O-N 3.28Å; E655-A658 PolarHBondContact O-N 3.07Å; E655-W659 WeakPolarHBondContact O-CB 3.46Å; E655-W659 PolarHBondContact O-N 2.96Å; E655-Y724 WeakPolarHBondContact OE2-CE2 3.25Å; E655-Y724 PolarHBondContact OE2-OH 3.49Å; E655-T732 HydrophobicContact CB-CG2 4.09Å; E655-T732 HydrophobicContact CG-CG2 3.72Å; E655-T732 WeakPolarHBondContact CG-OG1 3.41Å; E655-T732 WeakPolarHBondContact OE1-CB 3.43Å; E655-T732 PolarHBondContact OE1-N 3.17Å; E655-T732 PolarHBondContact OE1-OG1 3.36Å; E655-M734 HydrophobicContact CG-CE 3.7Å
656E97.5Very high96.5Very high7 Ų740.7 Ų40.73%0.03320%0.195CC..Hα-helixtrans-63.9-38.4178.5-68.3-75.9-174.200112L580 Q584 R629 S652 L660 T732L580-E656 HydrophobicContact CD1-CB 4.4Å; L580-E656 HydrophobicContact CD2-CB 3.8Å; L580-E656 HydrophobicContact CD2-CG 4.34Å; Q584-E656 PolarHBondContact NE2-OE2 3.21Å; R629-E656 IonicContact CZ-OE1 2.77Å; R629-E656 IonicContact NH1-OE1 3.51Å; R629-E656 PolarHBondContact NH1-OE1 2.99Å; S652-E656 WeakPolarHBondContact O-CB 3.37Å; S652-E656 WeakPolarHBondContact O-CG 3.41Å; S652-E656 PolarHBondContact O-N 2.85Å; E656-L660 WeakPolarHBondContact O-CB 3.45Å; E656-L660 PolarHBondContact O-N 3.23Å; E656-T732 HydrophobicContact CG-CG2 3.97Å
657T97.5Very high96.5Very high27 Ų2735.1 Ų35.117%0.16617%0.166CC..Hα-helixtrans-68.1-42.2177.1-56.90000111W622 L625 L653 E655 L660 R661W622-T657 HydrophobicContact CE3-CG2 4.2Å; W622-T657 HydrophobicContact CZ3-CG2 4.15Å; L625-T657 HydrophobicContact CD1-CG2 4.23Å; L653-T657 VanDerWaalsContact O-CB 3.27Å; L653-T657 WeakPolarHBondContact O-CB 3.01Å; L653-T657 PolarHBondContact O-N 3.39Å; L653-T657 PolarHBondContact O-OG1 3.44Å; E655-T657 VanDerWaalsContact C-N 3.33Å; E655-T657 PolarHBondContact O-N 3.28Å; T657-L660 PolarHBondContact O-N 2.91Å; T657-R661 WeakPolarHBondContact O-CB 3.39Å; T657-R661 PolarHBondContact O-N 3.02Å
658A97.3Very high96.5Very high13 Ų1330.7 Ų30.711%0.10714%0.144CC..Hα-helixtrans-63.3-45.8176.500000111.3E654 E655 R661 I662 I717 M734E654-A658 WeakPolarHBondContact O-CB 3.21Å; E654-A658 PolarHBondContact O-N 3.32Å; E655-A658 PolarHBondContact O-N 3.07Å; A658-R661 PolarHBondContact O-N 3.24Å; A658-I662 WeakPolarHBondContact O-CG1 3.3Å; A658-I662 PolarHBondContact O-N 3.14Å; A658-I717 HydrophobicContact CB-CD1 3.89Å; A658-M734 HydrophobicContact CB-CE 4.42Å; A658-M734 HydrophobicContact CB-SD 3.65Å
659W97.9Very high96.5Very high22 Ų2228.7 Ų28.78%0.08313%0.134CC..Hα-helixtrans-62.6-47.4176.3-176.7-119.3000112.1E655 R661 I662 R663 T732 R733 M734 A737 F816E655-W659 WeakPolarHBondContact O-CB 3.46Å; E655-W659 PolarHBondContact O-N 2.96Å; W659-R661 VanDerWaalsContact C-N 3.25Å; W659-R661 PolarHBondContact O-N 3.12Å; W659-I662 HydrophobicContact CE3-CB 4.44Å; W659-I662 HydrophobicContact CE3-CD1 4.2Å; W659-I662 HydrophobicContact CE3-CG2 4.49Å; W659-I662 HydrophobicContact CZ3-CG2 4.27Å; W659-I662 WeakPolarHBondContact O-CB 3.38Å; W659-I662 PolarHBondContact O-N 3.49Å; W659-I662 VanDerWaalsContact O-N 3.17Å; W659-R663 HydrophobicContact CD2-CG 4.19Å; W659-R663 HydrophobicContact CZ2-CG 4.07Å; W659-R663 WeakPolarHBondContact O-CG 3.41Å; W659-R663 PolarHBondContact O-N 2.9Å; W659-T732 HydrophobicContact CB-CG2 4.34Å; W659-R733 HydrophobicContact CD2-CB 4.47Å; W659-R733 HydrophobicContact CH2-CB 4.17Å; W659-R733 HydrophobicContact CZ2-CB 3.65Å; W659-M734 HydrophobicContact CB-CB 4.26Å; W659-M734 HydrophobicContact CD2-CB 4.24Å; W659-M734 HydrophobicContact CE3-CB 3.69Å; W659-M734 HydrophobicContact CE3-CG 4.06Å; W659-M734 HydrophobicContact CG-CB 4.49Å; W659-M734 HydrophobicContact CZ3-CB 4.43Å; W659-A737 HydrophobicContact CH2-CB 3.84Å; W659-A737 HydrophobicContact CZ3-CB 3.88Å; W659-F816 HydrophobicContact CH2-CE1 4.44Å
660L98.1Very high96.4Very high2 Ų224.9 Ų24.91%0.0112%0.12CC..Hα-helixtrans-56.9-39.7175.5176.359.7000111.9L580 A583 Q584 T587 V620 W622 E656 T657 R663 S664L580-L660 HydrophobicContact CD1-CD2 3.91Å; A583-L660 HydrophobicContact CB-CD2 3.7Å; Q584-L660 HydrophobicContact CG-CD1 4.09Å; Q584-L660 HydrophobicContact CG-CD2 4.27Å; T587-L660 HydrophobicContact CG2-CD1 4.46Å; V620-L660 HydrophobicContact CG1-CD2 4.39Å; W622-L660 HydrophobicContact CH2-CB 4.49Å; W622-L660 HydrophobicContact CH2-CD2 4.3Å; W622-L660 HydrophobicContact CH2-CG 3.89Å; W622-L660 HydrophobicContact CZ3-CD2 4.17Å; W622-L660 HydrophobicContact CZ3-CG 4.14Å; E656-L660 WeakPolarHBondContact O-CB 3.45Å; E656-L660 PolarHBondContact O-N 3.23Å; T657-L660 PolarHBondContact O-N 2.91Å; L660-R663 PolarHBondContact O-N 2.66Å; L660-S664 WeakPolarHBondContact O-CB 3.19Å; L660-S664 PolarHBondContact O-N 2.63Å
661R97.8Very high96.2Very high94 Ų9420.8 Ų20.836%0.35510%0.096SC..Hα-helixtrans-66.2-41.3178-170.2170.2-70.5164.5-2.1112.5W622 T657 A658 W659 R663 L665 T710W622-R661 HydrophobicContact CH2-CB 3.64Å; W622-R661 HydrophobicContact CH2-CG 4.06Å; W622-R661 HydrophobicContact CZ2-CB 4.34Å; W622-R661 HydrophobicContact CZ2-CG 4.28Å; W622-R661 HydrophobicContact CZ3-CB 3.87Å; W622-R661 HydrophobicContact CZ3-CG 4.43Å; T657-R661 WeakPolarHBondContact O-CB 3.39Å; T657-R661 PolarHBondContact O-N 3.02Å; A658-R661 PolarHBondContact O-N 3.24Å; W659-R661 VanDerWaalsContact C-N 3.25Å; W659-R661 PolarHBondContact O-N 3.12Å; R661-R663 VanDerWaalsContact C-N 3.34Å; R661-L665 HydrophobicContact CG-CD1 3.95Å; R661-L665 HydrophobicContact CG-CG 4.43Å; R661-L665 VanDerWaalsContact O-CB 3.31Å; R661-L665 WeakPolarHBondContact O-CB 3.43Å; R661-L665 VanDerWaalsContact O-CG 3.28Å; R661-L665 WeakPolarHBondContact O-CG 3.43Å; R661-L665 PolarHBondContact O-N 3.05Å; R661-T710 HydrophobicContact CB-CG2 4.06Å; R661-T710 HydrophobicContact CG-CG2 3.89Å
662I98.1Very high95.9Very high2 Ų218.5 Ų18.51%0.019%0.091CC..Hα-helixtrans-57.4-50.6172.3-67.2169.5000109.5A658 W659 L665 T666 F707 T710 L711 A714 M734A658-I662 WeakPolarHBondContact O-CG1 3.3Å; A658-I662 PolarHBondContact O-N 3.14Å; W659-I662 HydrophobicContact CE3-CB 4.44Å; W659-I662 HydrophobicContact CE3-CD1 4.2Å; W659-I662 HydrophobicContact CE3-CG2 4.49Å; W659-I662 HydrophobicContact CZ3-CG2 4.27Å; W659-I662 WeakPolarHBondContact O-CB 3.38Å; W659-I662 PolarHBondContact O-N 3.49Å; W659-I662 VanDerWaalsContact O-N 3.17Å; I662-L665 PolarHBondContact O-N 3.06Å; I662-T666 PolarHBondContact O-N 3.36Å; I662-T666 PolarHBondContact O-OG1 3.39Å; I662-T666 VanDerWaalsContact O-OG1 3.08Å; I662-F707 HydrophobicContact CB-CE2 4.49Å; I662-F707 HydrophobicContact CG2-CE2 3.78Å; I662-F707 HydrophobicContact CG2-CZ 4.26Å; I662-T710 HydrophobicContact CG1-CG2 3.77Å; I662-L711 HydrophobicContact CD1-CD2 3.82Å; I662-L711 HydrophobicContact CG1-CD2 3.98Å; I662-L711 HydrophobicContact CG2-CD2 4.18Å; I662-A714 HydrophobicContact CD1-CB 3.78Å; I662-M734 HydrophobicContact CD1-CG 4.12Å; I662-M734 HydrophobicContact CD1-SD 4.32Å
663R97.4Very high95.4Very high2 Ų219 Ų191%0.0089%0.093CC..Hα-helixtrans-64.9-44-177.3-61.1-65.7-73.1-177-10.2113E524 T587 E588 L591 W659 L660 R661 T666 L667 E819E524-R663 IonicContact OE1-NH2 3.83Å; T587-R663 HydrophobicContact CG2-CB 3.87Å; E588-R663 VanDerWaalsContact OE1-CG 3.32Å; E588-R663 WeakPolarHBondContact OE1-CG 3.47Å; E588-R663 IonicContact OE1-CZ 3.97Å; E588-R663 IonicContact OE1-NE 3.85Å; E588-R663 PolarHBondContact OE1-NE 3.02Å; E588-R663 IonicContact OE1-NH2 3.87Å; E588-R663 IonicContact OE2-CZ 3.31Å; E588-R663 IonicContact OE2-NE 3.32Å; E588-R663 PolarHBondContact OE2-NE 3.41Å; E588-R663 IonicContact OE2-NH2 3.06Å; E588-R663 PolarHBondContact OE2-NH2 3.02Å; L591-R663 HydrophobicContact CD1-CB 4.02Å; L591-R663 VanDerWaalsContact CD1-NE 3.33Å; W659-R663 HydrophobicContact CD2-CG 4.19Å; W659-R663 HydrophobicContact CZ2-CG 4.07Å; W659-R663 WeakPolarHBondContact O-CG 3.41Å; W659-R663 PolarHBondContact O-N 2.9Å; L660-R663 PolarHBondContact O-N 2.66Å; R661-R663 VanDerWaalsContact C-N 3.34Å; R663-T666 WeakPolarHBondContact O-CB 3.16Å; R663-T666 PolarHBondContact O-N 3.38Å; R663-L667 PolarHBondContact O-N 3.24Å; R663-E819 IonicContact CZ-OE2 3.89Å; R663-E819 IonicContact NH1-OE2 3.5Å; R663-E819 PolarHBondContact NH1-OE2 2.88Å; R663-E819 IonicContact NH2-OE2 3.92Å; R663-E819 PolarHBondContact NH2-OE2 3Å
664S97.1Very high94.7Very high6 Ų617.2 Ų17.24%0.0428%0.084CC..Hα-helixtrans-62.2-44.9176176.60000111.7L660 T666 L667 R668L660-S664 WeakPolarHBondContact O-CB 3.19Å; L660-S664 PolarHBondContact O-N 2.63Å; S664-T666 PolarHBondContact O-N 3.36Å; S664-L667 WeakPolarHBondContact O-CB 3.44Å; S664-L667 PolarHBondContact O-N 3.46Å; S664-R668 WeakPolarHBondContact O-CG 3.35Å; S664-R668 PolarHBondContact O-N 3.26Å
665L97.1Very high93.3Very high6 Ų617.4 Ų17.43%0.0319%0.092CC..Hα-helixtrans-65.4-38.7176.9-74171.2000112.1R661 I662 L667 R668 L669 L703 Q706 F707R661-L665 HydrophobicContact CG-CD1 3.95Å; R661-L665 HydrophobicContact CG-CG 4.43Å; R661-L665 VanDerWaalsContact O-CB 3.31Å; R661-L665 WeakPolarHBondContact O-CB 3.43Å; R661-L665 VanDerWaalsContact O-CG 3.28Å; R661-L665 WeakPolarHBondContact O-CG 3.43Å; R661-L665 PolarHBondContact O-N 3.05Å; I662-L665 PolarHBondContact O-N 3.06Å; L665-L667 VanDerWaalsContact C-N 3.33Å; L665-L667 PolarHBondContact O-N 3.35Å; L665-R668 PolarHBondContact O-N 3.12Å; L665-L669 VanDerWaalsContact O-CB 3.3Å; L665-L669 WeakPolarHBondContact O-CB 3.28Å; L665-L669 VanDerWaalsContact O-CG 3.26Å; L665-L669 WeakPolarHBondContact O-CG 3.43Å; L665-L669 PolarHBondContact O-N 3.22Å; L665-L703 HydrophobicContact CD2-CD2 4.18Å; L665-Q706 HydrophobicContact CD1-CB 4.32Å; L665-Q706 HydrophobicContact CD2-CB 4.36Å; L665-F707 HydrophobicContact CB-CB 4.43Å; L665-F707 HydrophobicContact CB-CD2 3.69Å; L665-F707 HydrophobicContact CB-CE2 4.47Å; L665-F707 HydrophobicContact CD1-CB 4.33Å; L665-F707 HydrophobicContact CD1-CD2 4.34Å
666T96.6Very high91.1Very high0 Ų019.9 Ų19.90%011%0.111CC..Hα-helixtrans-56.6-48.2171.5-64.60000110.8L591 I662 R663 S664 R668 L669 L670 F707 I823L591-T666 HydrophobicContact CD2-CG2 4.49Å; I662-T666 PolarHBondContact O-N 3.36Å; I662-T666 PolarHBondContact O-OG1 3.39Å; I662-T666 VanDerWaalsContact O-OG1 3.08Å; R663-T666 WeakPolarHBondContact O-CB 3.16Å; R663-T666 PolarHBondContact O-N 3.38Å; S664-T666 PolarHBondContact O-N 3.36Å; T666-R668 PolarHBondContact O-N 3.15Å; T666-L669 PolarHBondContact O-N 3.19Å; T666-L670 HydrophobicContact CG2-CD1 4.24Å; T666-L670 VanDerWaalsContact O-CG 3.31Å; T666-L670 WeakPolarHBondContact O-CG 3.48Å; T666-L670 PolarHBondContact O-N 3.09Å; T666-F707 WeakPolarHBondContact OG1-CE2 3.2Å; T666-I823 HydrophobicContact CG2-CD1 3.73Å
667L95.3Very high88.2Confident10 Ų1021.4 Ų21.45%0.05213%0.129CC..Hα-helixtrans-60.6-45.9179.1-176.263.1000112.4T587 M590 L591 L594 L613 R663 S664 L665 L670 A671T587-L667 HydrophobicContact CG2-CD2 4.37Å; M590-L667 HydrophobicContact CB-CD1 4.03Å; M590-L667 HydrophobicContact CB-CD2 3.73Å; M590-L667 HydrophobicContact CG-CD2 4.41Å; M590-L667 HydrophobicContact SD-CD2 3.86Å; L591-L667 HydrophobicContact CD2-CB 4.11Å; L591-L667 HydrophobicContact CD2-CD1 3.93Å; L591-L667 HydrophobicContact CG-CB 4.42Å; L591-L667 HydrophobicContact CG-CD1 4.22Å; L594-L667 HydrophobicContact CD1-CD1 3.6Å; L613-L667 HydrophobicContact CD1-CD1 3.74Å; L613-L667 HydrophobicContact CD1-CG 4.29Å; L613-L667 HydrophobicContact CD2-CD1 4.23Å; L613-L667 HydrophobicContact CD2-CD2 3.74Å; L613-L667 HydrophobicContact CD2-CG 3.92Å; R663-L667 PolarHBondContact O-N 3.24Å; S664-L667 WeakPolarHBondContact O-CB 3.44Å; S664-L667 PolarHBondContact O-N 3.46Å; L665-L667 VanDerWaalsContact C-N 3.33Å; L665-L667 PolarHBondContact O-N 3.35Å; L667-L670 PolarHBondContact O-N 3.05Å; L667-A671 PolarHBondContact O-N 3.31Å
668R94.3Very high84.9Confident30 Ų3028.8 Ų28.811%0.11316%0.161CC..Hα-helixtrans-66.4-38.4178.1-69.9177.264.2-175.65.8112.6S615 E616 D618 S664 L665 T666 A671 S672 L703S615-R668 PolarHBondContact O-NE 3.35Å; S615-R668 VanDerWaalsContact O-NE 3.09Å; S615-R668 PolarHBondContact O-NH2 3.15Å; E616-R668 PolarHBondContact O-NH2 3.28Å; D618-R668 IonicContact OD2-NH1 3.41Å; D618-R668 PolarHBondContact OD2-NH1 3.32Å; S664-R668 WeakPolarHBondContact O-CG 3.35Å; S664-R668 PolarHBondContact O-N 3.26Å; L665-R668 PolarHBondContact O-N 3.12Å; T666-R668 PolarHBondContact O-N 3.15Å; R668-A671 PolarHBondContact O-N 3.4Å; R668-S672 PolarHBondContact O-N 3.29Å; R668-L703 HydrophobicContact CB-CD1 4.29Å
669L94.6Very high81.6Confident0 Ų032.9 Ų32.90%019%0.194CC..Hα-helixtrans-63.8-42.1174.1-77.2166000111L665 T666 S672 L673 L703 L704 F707 L750L665-L669 VanDerWaalsContact O-CB 3.3Å; L665-L669 WeakPolarHBondContact O-CB 3.28Å; L665-L669 VanDerWaalsContact O-CG 3.26Å; L665-L669 WeakPolarHBondContact O-CG 3.43Å; L665-L669 PolarHBondContact O-N 3.22Å; T666-L669 PolarHBondContact O-N 3.19Å; L669-S672 PolarHBondContact O-N 3.22Å; L669-S672 PolarHBondContact O-OG 2.8Å; L669-L673 PolarHBondContact O-N 3.5Å; L669-L703 HydrophobicContact CD2-CB 3.6Å; L669-L703 HydrophobicContact CG-CB 4.09Å; L669-L704 HydrophobicContact CD1-CD1 4.25Å; L669-L704 HydrophobicContact CD2-CB 4.21Å; L669-F707 HydrophobicContact CD1-CB 3.89Å; L669-F707 HydrophobicContact CD1-CD1 4.33Å; L669-F707 HydrophobicContact CD1-CD2 4.35Å; L669-F707 HydrophobicContact CD1-CG 3.96Å; L669-L750 HydrophobicContact CB-CD1 3.94Å; L669-L750 HydrophobicContact CB-CD2 4.14Å; L669-L750 HydrophobicContact CD1-CD1 3.78Å; L669-L750 HydrophobicContact CG-CD1 4.46Å
670L93.1Very high78.5Confident0 Ų035.8 Ų35.80%022%0.223CC..Hα-helixtrans-62.4-43174.1-69.9174.4000112.3L591 L594 T666 L667 S672 L673 L750 I823 W826L591-L670 HydrophobicContact CD2-CD1 4.4Å; L594-L670 HydrophobicContact CD1-CD1 4.05Å; T666-L670 HydrophobicContact CG2-CD1 4.24Å; T666-L670 VanDerWaalsContact O-CG 3.31Å; T666-L670 WeakPolarHBondContact O-CG 3.48Å; T666-L670 PolarHBondContact O-N 3.09Å; L667-L670 PolarHBondContact O-N 3.05Å; L670-S672 VanDerWaalsContact C-N 3.27Å; L670-S672 PolarHBondContact O-N 2.86Å; L670-L673 HydrophobicContact CD2-CD1 4.06Å; L670-L673 WeakPolarHBondContact O-CB 3.23Å; L670-L673 PolarHBondContact O-N 2.6Å; L670-L673 VanDerWaalsContact O-N 3.12Å; L670-L750 HydrophobicContact CD2-CD2 4.16Å; L670-I823 HydrophobicContact CD1-CG1 4.36Å; L670-I823 HydrophobicContact CD2-CG1 4.33Å; L670-I823 HydrophobicContact CD2-CG2 4.29Å; L670-W826 HydrophobicContact CD1-CE3 3.99Å; L670-W826 HydrophobicContact CD1-CZ3 3.74Å; L670-W826 HydrophobicContact CD2-CE3 3.71Å; L670-W826 HydrophobicContact CD2-CZ3 4.33Å; L670-W826 HydrophobicContact CG-CE3 4.5Å
671A91.5Very high75.1Confident6 Ų640.6 Ų40.65%0.0526%0.257CS..Hα-helixtrans-58.6-40.4175.600000111.8V608 L613 L667 R668 L673 T674V608-A671 HydrophobicContact CG1-CB 4Å; L613-A671 HydrophobicContact CB-CB 4.31Å; L667-A671 PolarHBondContact O-N 3.31Å; R668-A671 PolarHBondContact O-N 3.4Å; A671-L673 PolarHBondContact O-N 2.87Å; A671-T674 PolarHBondContact O-N 3.26Å; A671-T674 PolarHBondContact O-OG1 2.97Å
672S89.4Confident71.7Confident24 Ų2444.9 Ų44.917%0.16828%0.281CS..Hα-helixtrans-68.3-14.8178.974.80000114.9R668 L669 L670 T674 H700R668-S672 PolarHBondContact O-N 3.29Å; L669-S672 PolarHBondContact O-N 3.22Å; L669-S672 PolarHBondContact O-OG 2.8Å; L670-S672 VanDerWaalsContact C-N 3.27Å; L670-S672 PolarHBondContact O-N 2.86Å; S672-T674 PolarHBondContact O-N 2.8Å; S672-H700 PolarHBondContact OG-ND1 2.87Å
673L84.9Confident68.4Low10 Ų1053 Ų535%0.05232%0.319CS..THydrogen-bonded Turntrans-72.9-16.4171.9-61.1178.7000112.5L669 L670 A671 L750 Y830L669-L673 PolarHBondContact O-N 3.5Å; L670-L673 HydrophobicContact CD2-CD1 4.06Å; L670-L673 WeakPolarHBondContact O-CB 3.23Å; L670-L673 PolarHBondContact O-N 2.6Å; L670-L673 VanDerWaalsContact O-N 3.12Å; A671-L673 PolarHBondContact O-N 2.87Å; L673-L750 HydrophobicContact CD1-CD2 4.23Å; L673-Y830 WeakPolarHBondContact O-CD2 3.4Å
674T81.4Confident65.1Low18 Ų1860.7 Ų60.711%0.1136%0.36CS..SBendtrans-95.8142.9-178.3720000110.8L604 E605 V608 A671 S672 S676L604-T674 HydrophobicContact CD2-CG2 4.23Å; L604-T674 HydrophobicContact CG-CG2 3.94Å; E605-T674 HydrophobicContact CB-CG2 4.22Å; V608-T674 HydrophobicContact CB-CG2 4.32Å; V608-T674 HydrophobicContact CG2-CG2 4.02Å; A671-T674 PolarHBondContact O-N 3.26Å; A671-T674 PolarHBondContact O-OG1 2.97Å; S672-T674 PolarHBondContact O-N 2.8Å; T674-S676 PolarHBondContact O-N 3.46Å
675P66Low61.8Low70 Ų7065.9 Ų65.946%0.45540%0.397SS..  trans-66.4110.1172-3.215.7000108.8E605 G677E605-P675 WeakPolarHBondContact OE2-CD 3.47Å; P675-G677 PolarHBondContact O-N 3.31Å
676S50.1Low58.6Low68 Ų6874.6 Ų74.648%0.47644%0.437SS..  trans-57.6118.4176.5-139.50000109.2T674 H678 R696T674-S676 PolarHBondContact O-N 3.46Å; S676-H678 PolarHBondContact O-N 2.98Å; S676-R696 PolarHBondContact O-NH2 3.16Å
677G36.1Very low55.3Low40 Ų4083 Ų8341%0.41248%0.479SS..  trans-65129165.900000107.5P675 A679P675-G677 PolarHBondContact O-N 3.31Å; G677-A679 PolarHBondContact O-N 3.49Å
678H29.7Very low52Low182 Ų18288.1 Ų88.184%0.84352%0.515SS*.  trans-56.7104.6173-82.9-68.1000110.3S676S676-H678 PolarHBondContact O-N 2.98Å
679A28.2Very low49.1Very low98 Ų9894.7 Ų94.781%0.8155%0.553SS**  trans-131.949156.800000108.6G677 S681G677-A679 PolarHBondContact O-N 3.49Å; A679-S681 PolarHBondContact O-N 2.91Å
680A31.2Very low46.2Very low84 Ų84103 Ų10369%0.69459%0.591SS**  trans-68.7114.3162.400000107.3Q682A680-Q682 PolarHBondContact O-N 2.9Å; A680-Q682 VanDerWaalsContact O-N 3.15Å
681S27.2Very low43.3Very low102 Ų102109.2 Ų109.271%0.71363%0.625SS**  trans-53.5118.7157.957.70000107.3A679 Q683A679-S681 PolarHBondContact O-N 2.91Å; S681-Q683 VanDerWaalsContact C-N 3.3Å; S681-Q683 PolarHBondContact O-N 3.31Å
682Q25.9Very low40.8Very low185 Ų185112 Ų11286%0.86465%0.653SS**  trans-58.395.6169.5-77.5177-2700109A680A680-Q682 PolarHBondContact O-N 2.9Å; A680-Q682 VanDerWaalsContact O-N 3.15Å
683Q29.3Very low38.5Very low173 Ų173116.9 Ų116.981%0.80868%0.682SS**  trans-88.5120.1147.6-75.6-165.8-1.200106.3S681 S685S681-Q683 VanDerWaalsContact C-N 3.3Å; S681-Q683 PolarHBondContact O-N 3.31Å; Q683-S685 PolarHBondContact O-N 3.39Å; Q683-S685 VanDerWaalsContact O-N 3.1Å
684N28.1Very low36.6Very low163 Ų163118.7 Ų118.787%0.87270%0.703SS**  trans-58.7110.7179.3-71.1-25.6000110.6
685S27.1Very low35.7Very low115 Ų115123.4 Ų123.480%0.80473%0.727SS**  trans-133.9124.6148.754.40000108.1Q683Q683-S685 PolarHBondContact O-N 3.39Å; Q683-S685 VanDerWaalsContact O-N 3.1Å
686E29.9Very low35.6Very low189 Ų189124.9 Ų124.988%0.88372%0.724SS**  trans-71143.8-177.8-70.2179.814900111.4
687M29.1Very low36.6Very low177 Ų177122.8 Ų122.887%0.87271%0.709SS**  trans69.495.5150.7-68.4-96-59.300119
688S25.7Very low38.8Very low117 Ų117123.8 Ų123.882%0.81871%0.71SS**  -172.2112.1115.755.60000110.6E690S688-E690 PolarHBondContact O-N 3.32Å
689N33.5Very low41.5Very low168 Ų168116.9 Ų116.990%0.89868%0.679SS**  trans-73.8111165.1-85.3-25.9000108.5
690E33.2Very low44.4Very low174 Ų174112.2 Ų112.281%0.81364%0.641SS**  trans-175.5128.2147.8-103.1168.5-154.700110.4S688S688-E690 PolarHBondContact O-N 3.32Å
691N32.9Very low47.2Very low131 Ų131113.4 Ų113.470%0.70163%0.627SS**  trans69.170.2157.9-54.4-30.3000121V693 G694N691-V693 PolarHBondContact O-N 3.49Å; N691-V693 VanDerWaalsContact O-N 3.17Å; N691-G694 PolarHBondContact O-N 2.99Å
692G39Very low50.3Low63 Ų63111.2 Ų111.265%0.64961%0.612SS**THydrogen-bonded Turntrans-69.7-2.7171.400000117.3
693V40.8Very low53.6Low128 Ų128102.5 Ų102.578%0.77657%0.571SS**THydrogen-bonded Turntrans-88.9-26.7177.8-177.60000111.9N691N691-V693 PolarHBondContact O-N 3.49Å; N691-V693 VanDerWaalsContact O-N 3.17Å
694G44.9Very low56.7Low48 Ų4894.4 Ų94.450%0.49553%0.534SS..Hα-helixtrans-67.3-38.7-179.300000113.3N691 S698N691-G694 PolarHBondContact O-N 2.99Å; G694-S698 PolarHBondContact O-N 3.27Å; G694-S698 PolarHBondContact O-OG 2.61Å
695D61.1Low60Low116 Ų11689.4 Ų89.462%0.6251%0.511SS*.Hα-helixtrans-72-36.3-170.2-146.40.6000113.4S698 L699D695-S698 VanDerWaalsContact C-OG 3.27Å; D695-S698 WeakPolarHBondContact CA-OG 3.34Å; D695-S698 PolarHBondContact O-OG 3.29Å; D695-L699 WeakPolarHBondContact O-CB 3.5Å; D695-L699 PolarHBondContact O-N 2.85Å
696R64.9Low63.2Low101 Ų10187.7 Ų87.738%0.38149%0.491SS..Hα-helixtrans-73.3-39.9-179.7-68.1-174.9178.8-177.91.2113.3S676 S698 L699 H700S676-R696 PolarHBondContact O-NH2 3.16Å; R696-S698 VanDerWaalsContact C-N 3.34Å; R696-L699 PolarHBondContact O-N 3.03Å; R696-H700 PolarHBondContact O-N 3.28Å
697S70.5Confident66.4Low24 Ų2478.7 Ų78.717%0.16845%0.449CS..Hα-helixtrans-66.9-39.6177.6-169.50000110.7R701 Q757S697-R701 WeakPolarHBondContact O-CB 3.38Å; S697-R701 VanDerWaalsContact O-CG 3.24Å; S697-R701 WeakPolarHBondContact O-CG 3.29Å; S697-R701 PolarHBondContact O-N 3.22Å; S697-R701 VanDerWaalsContact O-N 3.1Å; S697-R701 PolarHBondContact OG-NE 3.34Å; S697-Q757 PolarHBondContact OG-OE1 3.25Å
698S82.1Confident69.7Low62 Ų6273.4 Ų73.443%0.43442%0.424SS..Hα-helixtrans-63.2-40.7172.7420000112.6G694 D695 R696 R701 S702G694-S698 PolarHBondContact O-N 3.27Å; G694-S698 PolarHBondContact O-OG 2.61Å; D695-S698 VanDerWaalsContact C-OG 3.27Å; D695-S698 WeakPolarHBondContact CA-OG 3.34Å; D695-S698 PolarHBondContact O-OG 3.29Å; R696-S698 VanDerWaalsContact C-N 3.34Å; S698-R701 PolarHBondContact O-N 3.41Å; S698-S702 WeakPolarHBondContact O-CB 3.49Å; S698-S702 PolarHBondContact O-N 3.04Å
699L87.1Confident73.1Confident36 Ų3673.8 Ų73.819%0.18841%0.413CS..Hα-helixtrans-62.4-50.8176.8-179.271.9000111.8S615 E616 D695 R696 R701 S702 L703S615-L699 WeakPolarHBondContact OG-CD2 3.14Å; E616-L699 HydrophobicContact CB-CD2 4.37Å; E616-L699 HydrophobicContact CG-CD1 4.28Å; E616-L699 HydrophobicContact CG-CD2 3.3Å; E616-L699 HydrophobicContact CG-CG 4.4Å; D695-L699 WeakPolarHBondContact O-CB 3.5Å; D695-L699 PolarHBondContact O-N 2.85Å; R696-L699 PolarHBondContact O-N 3.03Å; L699-R701 VanDerWaalsContact C-N 3.31Å; L699-R701 PolarHBondContact O-N 2.87Å; L699-S702 WeakPolarHBondContact O-CB 3.29Å; L699-S702 PolarHBondContact O-N 3.32Å; L699-S702 VanDerWaalsContact O-N 3.09Å; L699-L703 HydrophobicContact CD1-CG 4.47Å; L699-L703 HydrophobicContact CG-CD1 4.19Å; L699-L703 HydrophobicContact CG-CG 4.44Å; L699-L703 WeakPolarHBondContact O-CG 3.47Å; L699-L703 PolarHBondContact O-N 3.4Å
700H88.3Confident76.1Confident1 Ų166.8 Ų66.81%0.00538%0.376CS..Hα-helixtrans-57.7-45.2179.3-174.694.6000111.4S672 R696 S702 L703 L704 L750 S753S672-H700 PolarHBondContact OG-ND1 2.87Å; R696-H700 PolarHBondContact O-N 3.28Å; H700-S702 VanDerWaalsContact C-N 3.31Å; H700-S702 PolarHBondContact O-N 3.13Å; H700-L703 PolarHBondContact O-N 3.45Å; H700-L704 WeakPolarHBondContact O-CB 3.44Å; H700-L704 PolarHBondContact O-N 3.44Å; H700-L750 PolarHBondContact NE2-O 3.37Å; H700-S753 PolarHBondContact CE1-OG 2.94Å; H700-S753 PolarHBondContact NE2-OG 3.04Å
701R91.1Very high79.2Confident108 Ų10858.8 Ų58.841%0.40834%0.339SS..Hα-helixtrans-60.4-40.2176-70.6171.3-170.8-147.6-11.4112.1S697 S698 L699 L704 S705 V754 E758S697-R701 WeakPolarHBondContact O-CB 3.38Å; S697-R701 VanDerWaalsContact O-CG 3.24Å; S697-R701 WeakPolarHBondContact O-CG 3.29Å; S697-R701 PolarHBondContact O-N 3.22Å; S697-R701 VanDerWaalsContact O-N 3.1Å; S697-R701 PolarHBondContact OG-NE 3.34Å; S698-R701 PolarHBondContact O-N 3.41Å; L699-R701 VanDerWaalsContact C-N 3.31Å; L699-R701 PolarHBondContact O-N 2.87Å; R701-L704 PolarHBondContact O-N 3.43Å; R701-S705 WeakPolarHBondContact O-CB 3.29Å; R701-S705 PolarHBondContact O-N 3.28Å; R701-V754 HydrophobicContact CG-CG1 4Å; R701-V754 HydrophobicContact CG-CG2 4.05Å; R701-E758 IonicContact CZ-OE1 2.92Å; R701-E758 IonicContact NH1-OE1 2.66Å; R701-E758 IonicContact NH2-OE1 3.3Å; R701-E758 PolarHBondContact NH2-OE1 2.92Å
702S92.9Very high82.2Confident57 Ų5758.4 Ų58.440%0.39933%0.333SS..Hα-helixtrans-64.7-48.1176.8-173.90000111.5S698 L699 H700 L704 S705 Q706S698-S702 WeakPolarHBondContact O-CB 3.49Å; S698-S702 PolarHBondContact O-N 3.04Å; L699-S702 WeakPolarHBondContact O-CB 3.29Å; L699-S702 PolarHBondContact O-N 3.32Å; L699-S702 VanDerWaalsContact O-N 3.09Å; H700-S702 VanDerWaalsContact C-N 3.31Å; H700-S702 PolarHBondContact O-N 3.13Å; S702-L704 VanDerWaalsContact C-N 3.29Å; S702-L704 PolarHBondContact O-N 3.23Å; S702-S705 WeakPolarHBondContact O-CB 3.22Å; S702-S705 PolarHBondContact O-N 2.96Å; S702-Q706 WeakPolarHBondContact O-CG 3.42Å; S702-Q706 PolarHBondContact O-N 3.09Å
703L94.4Very high84.9Confident1 Ų157.4 Ų57.41%0.00532%0.319CS..Hα-helixtrans-59.7-40.7176.4-68.4175.5000111.9L665 R668 L669 L699 H700 Q706 F707L665-L703 HydrophobicContact CD2-CD2 4.18Å; R668-L703 HydrophobicContact CB-CD1 4.29Å; L669-L703 HydrophobicContact CD2-CB 3.6Å; L669-L703 HydrophobicContact CG-CB 4.09Å; L699-L703 HydrophobicContact CD1-CG 4.47Å; L699-L703 HydrophobicContact CG-CD1 4.19Å; L699-L703 HydrophobicContact CG-CG 4.44Å; L699-L703 WeakPolarHBondContact O-CG 3.47Å; L699-L703 PolarHBondContact O-N 3.4Å; H700-L703 PolarHBondContact O-N 3.45Å; L703-Q706 PolarHBondContact O-N 3.22Å; L703-F707 WeakPolarHBondContact O-CB 3.26Å; L703-F707 PolarHBondContact O-N 3.21Å
704L94.9Very high87.5Confident3 Ų351.3 Ų51.32%0.01628%0.282CS..Hα-helixtrans-68.7-36.3178.5-170.862.9000112.1L669 H700 R701 S702 F707 N708 L750 Q751 V754L669-L704 HydrophobicContact CD1-CD1 4.25Å; L669-L704 HydrophobicContact CD2-CB 4.21Å; H700-L704 WeakPolarHBondContact O-CB 3.44Å; H700-L704 PolarHBondContact O-N 3.44Å; R701-L704 PolarHBondContact O-N 3.43Å; S702-L704 VanDerWaalsContact C-N 3.29Å; S702-L704 PolarHBondContact O-N 3.23Å; L704-F707 HydrophobicContact CD1-CD1 4.5Å; L704-F707 PolarHBondContact O-N 2.91Å; L704-N708 PolarHBondContact O-N 2.96Å; L704-N708 PolarHBondContact O-ND2 3.05Å; L704-N708 VanDerWaalsContact O-ND2 3.11Å; L704-L750 HydrophobicContact CD1-CB 4.12Å; L704-Q751 HydrophobicContact CD2-CB 3.9Å; L704-Q751 VanDerWaalsContact CD2-CD 3.49Å; L704-Q751 HydrophobicContact CD2-CG 4.29Å; L704-V754 HydrophobicContact CD2-CG2 4.05Å
705S95.8Very high90Very high58 Ų5850.6 Ų50.641%0.40627%0.271SS..Hα-helixtrans-62-46.8171.3-171.10000111.2R701 S702 F707 N708 Q709R701-S705 WeakPolarHBondContact O-CB 3.29Å; R701-S705 PolarHBondContact O-N 3.28Å; S702-S705 WeakPolarHBondContact O-CB 3.22Å; S702-S705 PolarHBondContact O-N 2.96Å; S705-F707 VanDerWaalsContact C-N 3.31Å; S705-F707 PolarHBondContact O-N 3.26Å; S705-N708 PolarHBondContact O-N 2.67Å; S705-Q709 WeakPolarHBondContact O-CB 3.27Å; S705-Q709 VanDerWaalsContact O-CG 3.28Å; S705-Q709 WeakPolarHBondContact O-CG 3.35Å; S705-Q709 PolarHBondContact O-N 3.28Å; S705-Q709 PolarHBondContact OG-NE2 2.99Å
706Q96.1Very high91.6Very high79 Ų7950 Ų5037%0.36926%0.264SS..Hα-helixtrans-61.3-39.7175.4-68.3176.739.800112L665 S702 L703 Q709 T710L665-Q706 HydrophobicContact CD1-CB 4.32Å; L665-Q706 HydrophobicContact CD2-CB 4.36Å; S702-Q706 WeakPolarHBondContact O-CG 3.42Å; S702-Q706 PolarHBondContact O-N 3.09Å; L703-Q706 PolarHBondContact O-N 3.22Å; Q706-Q709 PolarHBondContact O-N 2.62Å; Q706-T710 WeakPolarHBondContact O-CB 3.28Å; Q706-T710 PolarHBondContact O-N 3.34Å; Q706-T710 PolarHBondContact O-OG1 2.93Å
707F97.1Very high92.9Very high0 Ų046.4 Ų46.40%025%0.253CS..Hα-helixtrans-61.7-51.3176.5-173.9-111.8000111.2I662 L665 T666 L669 L703 L704 S705 Q709 T710 L711 A747I662-F707 HydrophobicContact CB-CE2 4.49Å; I662-F707 HydrophobicContact CG2-CE2 3.78Å; I662-F707 HydrophobicContact CG2-CZ 4.26Å; L665-F707 HydrophobicContact CB-CB 4.43Å; L665-F707 HydrophobicContact CB-CD2 3.69Å; L665-F707 HydrophobicContact CB-CE2 4.47Å; L665-F707 HydrophobicContact CD1-CB 4.33Å; L665-F707 HydrophobicContact CD1-CD2 4.34Å; T666-F707 WeakPolarHBondContact OG1-CE2 3.2Å; L669-F707 HydrophobicContact CD1-CB 3.89Å; L669-F707 HydrophobicContact CD1-CD1 4.33Å; L669-F707 HydrophobicContact CD1-CD2 4.35Å; L669-F707 HydrophobicContact CD1-CG 3.96Å; L703-F707 WeakPolarHBondContact O-CB 3.26Å; L703-F707 PolarHBondContact O-N 3.21Å; L704-F707 HydrophobicContact CD1-CD1 4.5Å; L704-F707 PolarHBondContact O-N 2.91Å; S705-F707 VanDerWaalsContact C-N 3.31Å; S705-F707 PolarHBondContact O-N 3.26Å; F707-Q709 VanDerWaalsContact C-N 3.35Å; F707-Q709 PolarHBondContact O-N 3.35Å; F707-T710 WeakPolarHBondContact O-CB 3.26Å; F707-T710 PolarHBondContact O-N 3.18Å; F707-T710 VanDerWaalsContact O-N 3.12Å; F707-L711 HydrophobicContact CD1-CD1 3.98Å; F707-L711 HydrophobicContact CD1-CG 4.39Å; F707-L711 HydrophobicContact CE1-CD1 3.64Å; F707-L711 HydrophobicContact CE1-CG 4.22Å; F707-L711 HydrophobicContact CZ-CD1 4.15Å; F707-L711 HydrophobicContact CZ-CD2 4.29Å; F707-L711 HydrophobicContact CZ-CG 4.38Å; F707-L711 WeakPolarHBondContact O-CG 3.35Å; F707-L711 PolarHBondContact O-N 2.89Å; F707-A747 HydrophobicContact CD1-CB 4.11Å; F707-A747 HydrophobicContact CE1-CB 3.78Å
708N97Very high93.9Very high66 Ų6646.7 Ų46.735%0.35326%0.256SS..Hα-helixtrans-62.4-39.4178.3-73.7-42.2000112.8L704 S705 T710 L711 H712L704-N708 PolarHBondContact O-N 2.96Å; L704-N708 PolarHBondContact O-ND2 3.05Å; L704-N708 VanDerWaalsContact O-ND2 3.11Å; S705-N708 PolarHBondContact O-N 2.67Å; N708-T710 VanDerWaalsContact C-N 3.34Å; N708-L711 PolarHBondContact O-N 3.37Å; N708-H712 PolarHBondContact O-N 3.18Å
709Q97.3Very high94.4Very high126 Ų12650.7 Ų50.759%0.58927%0.268SS*.Hα-helixtrans-62.7-42.4173.3-7217211.500111.6S705 Q706 F707 H712 A713S705-Q709 WeakPolarHBondContact O-CB 3.27Å; S705-Q709 VanDerWaalsContact O-CG 3.28Å; S705-Q709 WeakPolarHBondContact O-CG 3.35Å; S705-Q709 PolarHBondContact O-N 3.28Å; S705-Q709 PolarHBondContact OG-NE2 2.99Å; Q706-Q709 PolarHBondContact O-N 2.62Å; F707-Q709 VanDerWaalsContact C-N 3.35Å; F707-Q709 PolarHBondContact O-N 3.35Å; Q709-H712 PolarHBondContact O-N 3.03Å; Q709-A713 PolarHBondContact O-N 3.48Å
710T97.3Very high94.4Very high20 Ų2053.9 Ų53.912%0.12328%0.28CS..Hα-helixtrans-64.2-41176.9-57.50000111R661 I662 Q706 F707 N708 H712 A713 A714R661-T710 HydrophobicContact CB-CG2 4.06Å; R661-T710 HydrophobicContact CG-CG2 3.89Å; I662-T710 HydrophobicContact CG1-CG2 3.77Å; Q706-T710 WeakPolarHBondContact O-CB 3.28Å; Q706-T710 PolarHBondContact O-N 3.34Å; Q706-T710 PolarHBondContact O-OG1 2.93Å; F707-T710 WeakPolarHBondContact O-CB 3.26Å; F707-T710 PolarHBondContact O-N 3.18Å; F707-T710 VanDerWaalsContact O-N 3.12Å; N708-T710 VanDerWaalsContact C-N 3.34Å; T710-H712 VanDerWaalsContact C-N 3.34Å; T710-H712 PolarHBondContact O-N 3.3Å; T710-A713 PolarHBondContact O-N 3.31Å; T710-A714 VanDerWaalsContact O-CB 3.23Å; T710-A714 WeakPolarHBondContact O-CB 2.94Å; T710-A714 PolarHBondContact O-N 3.4Å
711L97.4Very high94.1Very high6 Ų664 Ų643%0.03132%0.319CS..Hα-helixtrans-61.7-40.5175.3-69-175.9000112.2I662 F707 N708 A714 A715 L738 C743 A747I662-L711 HydrophobicContact CD1-CD2 3.82Å; I662-L711 HydrophobicContact CG1-CD2 3.98Å; I662-L711 HydrophobicContact CG2-CD2 4.18Å; F707-L711 HydrophobicContact CD1-CD1 3.98Å; F707-L711 HydrophobicContact CD1-CG 4.39Å; F707-L711 HydrophobicContact CE1-CD1 3.64Å; F707-L711 HydrophobicContact CE1-CG 4.22Å; F707-L711 HydrophobicContact CZ-CD1 4.15Å; F707-L711 HydrophobicContact CZ-CD2 4.29Å; F707-L711 HydrophobicContact CZ-CG 4.38Å; F707-L711 WeakPolarHBondContact O-CG 3.35Å; F707-L711 PolarHBondContact O-N 2.89Å; N708-L711 PolarHBondContact O-N 3.37Å; L711-A714 PolarHBondContact O-N 2.93Å; L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 3.07Å; L711-L738 HydrophobicContact CD2-CD2 4.24Å; L711-C743 HydrophobicContact CD1-CB 4.23Å; L711-C743 HydrophobicContact CD2-CB 3.65Å; L711-A747 HydrophobicContact CD1-CB 4.08Å
712H96.2Very high93.9Very high123 Ų12361 Ų6157%0.56931%0.312SS*.Hα-helixtrans-64.9-45.3176-176.5-83.6000111.9N708 Q709 T710 A714 A715 Q716N708-H712 PolarHBondContact O-N 3.18Å; Q709-H712 PolarHBondContact O-N 3.03Å; T710-H712 VanDerWaalsContact C-N 3.34Å; T710-H712 PolarHBondContact O-N 3.3Å; H712-A714 VanDerWaalsContact C-N 3.33Å; H712-A714 PolarHBondContact O-N 3.06Å; H712-A715 PolarHBondContact O-N 3.03Å; H712-Q716 PolarHBondContact CE1-NE2 2.96Å; H712-Q716 PolarHBondContact O-N 3.33Å
713A96.2Very high93.7Very high43 Ų4366.4 Ų66.436%0.35533%0.331SS..Hα-helixtrans-62.3-41.4175.100000111.9Q709 T710 A715 Q716 I717Q709-A713 PolarHBondContact O-N 3.48Å; T710-A713 PolarHBondContact O-N 3.31Å; A713-A715 VanDerWaalsContact C-N 3.34Å; A713-A715 PolarHBondContact O-N 3.27Å; A713-Q716 WeakPolarHBondContact O-CB 3.23Å; A713-Q716 PolarHBondContact O-N 2.98Å; A713-I717 WeakPolarHBondContact O-CG1 3.34Å; A713-I717 PolarHBondContact O-N 3.46Å
714A95.9Very high93.6Very high0 Ų067.7 Ų67.70%034%0.336CS..Hα-helixtrans-62.2-38.3175.900000112.7I662 T710 L711 H712 I717 A718 M734 L738I662-A714 HydrophobicContact CD1-CB 3.78Å; T710-A714 VanDerWaalsContact O-CB 3.23Å; T710-A714 WeakPolarHBondContact O-CB 2.94Å; T710-A714 PolarHBondContact O-N 3.4Å; L711-A714 PolarHBondContact O-N 2.93Å; H712-A714 VanDerWaalsContact C-N 3.33Å; H712-A714 PolarHBondContact O-N 3.06Å; A714-I717 PolarHBondContact O-N 3.08Å; A714-A718 WeakPolarHBondContact O-CB 3.49Å; A714-A718 PolarHBondContact O-N 2.78Å; A714-M734 HydrophobicContact CB-CE 4.39Å; A714-M734 HydrophobicContact CB-CG 4.05Å; A714-M734 HydrophobicContact CB-SD 3.49Å; A714-M734 WeakPolarHBondContact CB-SD 3.33Å; A714-L738 HydrophobicContact CB-CD1 4.07Å
715A95.5Very high93.5Very high33 Ų3369 Ų6927%0.27335%0.345SS..Hα-helixtrans-62.1-43.6174.200000111.7L711 H712 A713 I717 A718 E719 L738L711-A715 WeakPolarHBondContact O-CB 3.38Å; L711-A715 PolarHBondContact O-N 3.07Å; H712-A715 PolarHBondContact O-N 3.03Å; A713-A715 VanDerWaalsContact C-N 3.34Å; A713-A715 PolarHBondContact O-N 3.27Å; A715-I717 VanDerWaalsContact C-N 3.32Å; A715-I717 PolarHBondContact O-N 2.93Å; A715-A718 PolarHBondContact O-N 3.08Å; A715-E719 WeakPolarHBondContact O-CG 3.32Å; A715-E719 PolarHBondContact O-N 3.47Å; A715-L738 HydrophobicContact CB-CD1 4.49Å
716Q94.8Very high93.3Very high102 Ų10267.9 Ų67.948%0.47733%0.334SS..Hα-helixtrans-63.2-36175.2-66.4179-1800112.8H712 A713H712-Q716 PolarHBondContact CE1-NE2 2.96Å; H712-Q716 PolarHBondContact O-N 3.33Å; A713-Q716 WeakPolarHBondContact O-CB 3.23Å; A713-Q716 PolarHBondContact O-N 2.98Å
717I93.6Very high93.1Very high27 Ų2765.1 Ų65.114%0.13832%0.322CS..Hα-helixtrans-66.1-46.1173.6-65.4164.4000109.9E654 A658 A713 A714 A715 E719 K720 M734E654-I717 HydrophobicContact CG-CD1 4Å; E654-I717 HydrophobicContact CG-CG1 4.45Å; A658-I717 HydrophobicContact CB-CD1 3.89Å; A713-I717 WeakPolarHBondContact O-CG1 3.34Å; A713-I717 PolarHBondContact O-N 3.46Å; A714-I717 PolarHBondContact O-N 3.08Å; A715-I717 VanDerWaalsContact C-N 3.32Å; A715-I717 PolarHBondContact O-N 2.93Å; I717-E719 VanDerWaalsContact C-N 3.29Å; I717-E719 PolarHBondContact O-N 3.31Å; I717-K720 WeakPolarHBondContact O-CB 3.46Å; I717-K720 PolarHBondContact O-N 3.48Å; I717-M734 HydrophobicContact CB-CE 4.03Å; I717-M734 HydrophobicContact CG2-CE 3.77Å
718A91.9Very high92.9Very high29 Ų2965.5 Ų65.524%0.2433%0.326CS..Hα-helixtrans-63.4-31.9179.900000113A714 A715 K720 R721 A735 L738A714-A718 WeakPolarHBondContact O-CB 3.49Å; A714-A718 PolarHBondContact O-N 2.78Å; A715-A718 PolarHBondContact O-N 3.08Å; A718-K720 PolarHBondContact O-N 2.69Å; A718-R721 PolarHBondContact O-N 2.91Å; A718-A735 HydrophobicContact CB-CB 3.98Å; A718-L738 HydrophobicContact CB-CD1 4.3Å
719E91.4Very high92.7Very high147 Ų14762.4 Ų62.469%0.68731%0.309SS*.Hα-helixtrans-62.1-27.4175.6-78.6173.8-173.500113.5A715 I717 R721A715-E719 WeakPolarHBondContact O-CG 3.32Å; A715-E719 PolarHBondContact O-N 3.47Å; I717-E719 VanDerWaalsContact C-N 3.29Å; I717-E719 PolarHBondContact O-N 3.31Å; E719-R721 PolarHBondContact O-N 3.32Å
720K86.4Confident92.4Very high102 Ų10256.6 Ų56.644%0.44328%0.283SS..THydrogen-bonded Turntrans-66.7-18.7179.3-63173.4-175.3168.20113.3R651 E654 I717 A718 T722R651-K720 VanDerWaalsContact NH1-NZ 3.16Å; E654-K720 IonicContact OE1-NZ 2.85Å; E654-K720 PolarHBondContact OE1-NZ 2.86Å; E654-K720 IonicContact OE2-NZ 3.8Å; I717-K720 WeakPolarHBondContact O-CB 3.46Å; I717-K720 PolarHBondContact O-N 3.48Å; A718-K720 PolarHBondContact O-N 2.69Å; K720-T722 VanDerWaalsContact C-N 3.32Å; K720-T722 PolarHBondContact O-N 3.46Å
721R83.8Confident92.1Very high215 Ų21558 Ų5881%0.81129%0.293SS*.  trans46.548.5177.8-63.4-176.4-179.2-171.70.5114.1A718 E719 Q723A718-R721 PolarHBondContact O-N 2.91Å; E719-R721 PolarHBondContact O-N 3.32Å; R721-Q723 PolarHBondContact O-N 2.98Å
722T86.4Confident92Very high45 Ų4558 Ų5828%0.27629%0.294SS..PPolyproline II helixtrans-57.2125.6176.2-46.10000110.5R651 K720 Y724R651-T722 HydrophobicContact CB-CG2 4.25Å; R651-T722 HydrophobicContact CG-CG2 4.42Å; K720-T722 VanDerWaalsContact C-N 3.32Å; K720-T722 PolarHBondContact O-N 3.46Å; T722-Y724 HydrophobicContact CG2-CD1 4.13Å; T722-Y724 HydrophobicContact CG2-CE1 3.63Å
723Q88.1Confident92Very high170 Ų17052.4 Ų52.479%0.79427%0.267SS*.PPolyproline II helixtrans-100.1117.2172.2-68.1-173.8-3.900109.3R721R721-Q723 PolarHBondContact O-N 2.98Å
724Y92.3Very high92Very high28 Ų2850.4 Ų50.411%0.1125%0.251CS..PPolyproline II helixtrans-88.9147.3174.3-56.3-66.1000110.5H648 R651 S652 E655 T722 P729 S731H648-Y724 HydrophobicContact CB-CD1 4.12Å; H648-Y724 HydrophobicContact CB-CE1 4.41Å; R651-Y724 HydrophobicContact CB-CE1 4.24Å; S652-Y724 WeakPolarHBondContact CA-OH 3.33Å; S652-Y724 PolarHBondContact N-OH 3.08Å; E655-Y724 WeakPolarHBondContact OE2-CE2 3.25Å; E655-Y724 PolarHBondContact OE2-OH 3.49Å; T722-Y724 HydrophobicContact CG2-CD1 4.13Å; T722-Y724 HydrophobicContact CG2-CE1 3.63Å; Y724-P729 WeakPolarHBondContact CB-O 3.43Å; Y724-P729 HydrophobicContact CD1-CG 3.85Å; Y724-P729 HydrophobicContact CE1-CG 4.23Å; Y724-P729 HydrophobicContact CG-CG 4.08Å; Y724-S731 WeakPolarHBondContact CD2-OG 3.48Å
725P92.4Very high92Very high31 Ų3152.5 Ų52.520%0.20127%0.268CS..PPolyproline II helixtrans-54.6147.4166.3-22.733.2000110.6L727 G728P725-L727 VanDerWaalsContact C-N 3.29Å; P725-L727 PolarHBondContact O-N 2.88Å; P725-G728 WeakPolarHBondContact O-CA 3.28Å; P725-G728 PolarHBondContact O-N 3.35Å
726L91.4Very high92Very high34 Ų3452.9 Ų52.918%0.17827%0.269CS..THydrogen-bonded Turntrans-56.4-44.1-176.4-175.773.5000112.4I449 W452 L487 L488 R491 G728I449-L726 HydrophobicContact CB-CD2 4.39Å; I449-L726 HydrophobicContact CD1-CD2 4.09Å; I449-L726 HydrophobicContact CG1-CD2 4.21Å; I449-L726 HydrophobicContact CG2-CD2 3.32Å; W452-L726 HydrophobicContact CZ3-CD1 4.34Å; W452-L726 HydrophobicContact CZ3-CD2 4.34Å; L487-L726 HydrophobicContact CD2-CG 4.32Å; L488-L726 HydrophobicContact CD2-CD2 4.43Å; R491-L726 HydrophobicContact CG-CD1 4.22Å; L726-G728 PolarHBondContact O-N 3.27Å
727L93.1Very high92.1Very high20 Ų2048 Ų4811%0.10525%0.246CC..THydrogen-bonded Turntrans-79.51.4178-54.5-178.6000113.3L484 L487 F634 N636 P725L484-L727 HydrophobicContact CD1-CD2 3.86Å; L487-L727 HydrophobicContact CD2-CD2 4.02Å; F634-L727 HydrophobicContact CB-CB 4.11Å; F634-L727 HydrophobicContact CB-CD1 4.39Å; F634-L727 HydrophobicContact CB-CD2 4.28Å; F634-L727 HydrophobicContact CB-CG 4.49Å; F634-L727 HydrophobicContact CD1-CD2 4.23Å; F634-L727 HydrophobicContact CG-CB 4.4Å; F634-L727 HydrophobicContact CG-CD2 4.26Å; N636-L727 HydrophobicContact CB-CD1 4.34Å; P725-L727 VanDerWaalsContact C-N 3.29Å; P725-L727 PolarHBondContact O-N 2.88Å
728G91.8Very high92.2Very high9 Ų947.6 Ų47.69%0.09324%0.244CC..SBendtrans-86.8-163.1176.100000112.6P725 L726P725-G728 WeakPolarHBondContact O-CA 3.28Å; P725-G728 PolarHBondContact O-N 3.35Å; L726-G728 PolarHBondContact O-N 3.27Å
729P93.3Very high92.4Very high0 Ų050.1 Ų50.10%026%0.26CS..PPolyproline II helixtrans-64.6138.9177.326.7-32.4000110.8L631 L644 S652 Y724L631-P729 HydrophobicContact CD1-CB 4.06Å; L631-P729 HydrophobicContact CD1-CG 4.25Å; L631-P729 HydrophobicContact CD2-CB 3.96Å; L644-P729 HydrophobicContact CD1-CG 4.21Å; S652-P729 VanDerWaalsContact OG-CB 3.28Å; S652-P729 WeakPolarHBondContact OG-CB 3.42Å; Y724-P729 WeakPolarHBondContact CB-O 3.43Å; Y724-P729 HydrophobicContact CD1-CG 3.85Å; Y724-P729 HydrophobicContact CE1-CG 4.23Å; Y724-P729 HydrophobicContact CG-CG 4.08Å
730P91.2Very high92.6Very high5 Ų543.4 Ų43.43%0.03223%0.229CC..PPolyproline II helixtrans-69.9139.517131-34.6000110.1F517 R521 Y522F517-P730 HydrophobicContact CD2-CG 4.46Å; F517-P730 HydrophobicContact CE2-CG 4.21Å; R521-P730 HydrophobicContact CG-CB 4.48Å; R521-P730 HydrophobicContact CG-CG 4.06Å; Y522-P730 WeakPolarHBondContact OH-CB 3.1Å
731S91.6Very high93.1Very high49 Ų4939.4 Ų39.434%0.34322%0.216SC..PPolyproline II helixtrans-57.3151.2167.9-53.50000110.3R521 Y724R521-S731 VanDerWaalsContact CZ-O 3.26Å; R521-S731 PolarHBondContact NE-O 3.44Å; R521-S731 PolarHBondContact NH2-O 3.46Å; Y724-S731 WeakPolarHBondContact CD2-OG 3.48Å
732T95Very high93.7Very high7 Ų729.2 Ų29.24%0.04318%0.178CC..  trans-77.5174.2175.972.30000111.6R521 E655 E656 W659 M734R521-T732 VanDerWaalsContact NH2-CA 3.34Å; R521-T732 PolarHBondContact NH2-O 3.23Å; E655-T732 HydrophobicContact CB-CG2 4.09Å; E655-T732 HydrophobicContact CG-CG2 3.72Å; E655-T732 WeakPolarHBondContact CG-OG1 3.41Å; E655-T732 WeakPolarHBondContact OE1-CB 3.43Å; E655-T732 PolarHBondContact OE1-N 3.17Å; E655-T732 PolarHBondContact OE1-OG1 3.36Å; E656-T732 HydrophobicContact CG-CG2 3.97Å; W659-T732 HydrophobicContact CB-CG2 4.34Å; T732-M734 PolarHBondContact O-N 3.46Å; T732-M734 WeakPolarHBondContact OG1-CB 3.49Å; T732-M734 PolarHBondContact OG1-N 2.84Å
733R95.1Very high94.2Very high4 Ų427.1 Ų27.12%0.01517%0.165CC..SBendtrans-75.2-8.5173.1-94.6169.9114.8-143-14.4113.6E524 S525 W659 A735 S736 A737 E812 F816 E819E524-R733 IonicContact OE1-CZ 3.9Å; E524-R733 IonicContact OE1-NH1 3.89Å; E524-R733 PolarHBondContact OE1-NH1 2.85Å; E524-R733 IonicContact OE2-CZ 3.08Å; E524-R733 IonicContact OE2-NH1 3.58Å; E524-R733 PolarHBondContact OE2-NH1 3.35Å; S525-R733 VanDerWaalsContact CB-CD 3.45Å; W659-R733 HydrophobicContact CD2-CB 4.47Å; W659-R733 HydrophobicContact CH2-CB 4.17Å; W659-R733 HydrophobicContact CZ2-CB 3.65Å; R733-A735 PolarHBondContact O-N 3.27Å; R733-S736 PolarHBondContact O-N 3.1Å; R733-A737 WeakPolarHBondContact O-CB 3.3Å; R733-A737 PolarHBondContact O-N 3.27Å; R733-E812 WeakPolarHBondContact CG-OE1 3.44Å; R733-E812 IonicContact NE-OE1 2.76Å; R733-E812 PolarHBondContact NE-OE1 2.92Å; R733-F816 HydrophobicContact CB-CE1 4.34Å; R733-F816 HydrophobicContact CB-CZ 3.99Å; R733-F816 HydrophobicContact CG-CE1 4.39Å; R733-F816 HydrophobicContact CG-CZ 3.94Å; R733-F816 VanDerWaalsContact CZ-CE1 3.45Å; R733-F816 VanDerWaalsContact NH2-CD1 3.29Å; R733-E819 IonicContact CZ-OE1 2.6Å; R733-E819 VanDerWaalsContact CZ-OE1 3.29Å; R733-E819 IonicContact NH1-OE1 3.5Å; R733-E819 PolarHBondContact NH1-OE1 3.01Å; R733-E819 IonicContact NH2-OE1 3.64Å; R733-E819 PolarHBondContact NH2-OE1 2.94Å
734M96.5Very high94.6Very high1 Ų124 Ų241%0.00515%0.15CC..Hα-helixtrans-60.5-50.3-167-175.5177.471.300112.6E655 A658 W659 I662 A714 I717 T732 A737 L738E655-M734 HydrophobicContact CG-CE 3.7Å; A658-M734 HydrophobicContact CB-CE 4.42Å; A658-M734 HydrophobicContact CB-SD 3.65Å; W659-M734 HydrophobicContact CB-CB 4.26Å; W659-M734 HydrophobicContact CD2-CB 4.24Å; W659-M734 HydrophobicContact CE3-CB 3.69Å; W659-M734 HydrophobicContact CE3-CG 4.06Å; W659-M734 HydrophobicContact CG-CB 4.49Å; W659-M734 HydrophobicContact CZ3-CB 4.43Å; I662-M734 HydrophobicContact CD1-CG 4.12Å; I662-M734 HydrophobicContact CD1-SD 4.32Å; A714-M734 HydrophobicContact CB-CE 4.39Å; A714-M734 HydrophobicContact CB-CG 4.05Å; A714-M734 HydrophobicContact CB-SD 3.49Å; A714-M734 WeakPolarHBondContact CB-SD 3.33Å; I717-M734 HydrophobicContact CB-CE 4.03Å; I717-M734 HydrophobicContact CG2-CE 3.77Å; T732-M734 PolarHBondContact O-N 3.46Å; T732-M734 WeakPolarHBondContact OG1-CB 3.49Å; T732-M734 PolarHBondContact OG1-N 2.84Å; M734-A737 PolarHBondContact O-N 3.23Å; M734-L738 HydrophobicContact CG-CD1 4.06Å; M734-L738 WeakPolarHBondContact O-CB 3.45Å; M734-L738 VanDerWaalsContact O-CG 3.29Å; M734-L738 WeakPolarHBondContact O-CG 3.44Å; M734-L738 PolarHBondContact O-N 3.44Å
735A95.8Very high94.9Very high44 Ų4422.6 Ų22.636%0.36415%0.145SC..Hα-helixtrans-63.6-43.7-179.400000111.9A718 R733 L738 S739A718-A735 HydrophobicContact CB-CB 3.98Å; R733-A735 PolarHBondContact O-N 3.27Å; A735-L738 PolarHBondContact O-N 3.32Å; A735-S739 WeakPolarHBondContact O-CB 3.42Å; A735-S739 PolarHBondContact O-N 2.89Å; A735-S739 PolarHBondContact O-OG 2.85Å
736S95.5Very high95.1Very high41 Ų4121.4 Ų21.429%0.28714%0.137SC..Hα-helixtrans-59.8-49.5174.7-56.90000111.4R733 L738 S739 V740 E812R733-S736 PolarHBondContact O-N 3.1Å; S736-L738 VanDerWaalsContact C-N 3.33Å; S736-L738 PolarHBondContact O-N 3.3Å; S736-S739 PolarHBondContact O-N 3.29Å; S736-S739 PolarHBondContact O-OG 2.91Å; S736-V740 WeakPolarHBondContact O-CB 3.43Å; S736-V740 VanDerWaalsContact O-CG2 3.3Å; S736-V740 WeakPolarHBondContact O-CG2 3.47Å; S736-V740 PolarHBondContact O-N 2.74Å; S736-E812 WeakPolarHBondContact CB-OE2 3.2Å; S736-E812 PolarHBondContact OG-OE2 3.34Å
737A97.1Very high95.4Very high0 Ų020.2 Ų20.20%013%0.132CC..Hα-helixtrans-60.4-40.3-179.500000112.8W659 R733 M734 G741 S742 F816W659-A737 HydrophobicContact CH2-CB 3.84Å; W659-A737 HydrophobicContact CZ3-CB 3.88Å; R733-A737 WeakPolarHBondContact O-CB 3.3Å; R733-A737 PolarHBondContact O-N 3.27Å; M734-A737 PolarHBondContact O-N 3.23Å; A737-G741 PolarHBondContact O-N 3.44Å; A737-S742 WeakPolarHBondContact O-CB 3.33Å; A737-S742 PolarHBondContact O-N 3.04Å; A737-F816 HydrophobicContact CB-CD1 4.22Å; A737-F816 HydrophobicContact CB-CE1 3.61Å; A737-F816 HydrophobicContact CB-CE2 4.26Å; A737-F816 HydrophobicContact CB-CZ 3.64Å
738L96.4Very high95.5Very high18 Ų1820.4 Ų20.49%0.09414%0.136CC..Hα-helixtrans-66.6-49.2176.2-72.7168.5000111.6L711 A714 A715 A718 M734 A735 S736 V740 G741 C743L711-L738 HydrophobicContact CD2-CD2 4.24Å; A714-L738 HydrophobicContact CB-CD1 4.07Å; A715-L738 HydrophobicContact CB-CD1 4.49Å; A718-L738 HydrophobicContact CB-CD1 4.3Å; M734-L738 HydrophobicContact CG-CD1 4.06Å; M734-L738 WeakPolarHBondContact O-CB 3.45Å; M734-L738 VanDerWaalsContact O-CG 3.29Å; M734-L738 WeakPolarHBondContact O-CG 3.44Å; M734-L738 PolarHBondContact O-N 3.44Å; A735-L738 PolarHBondContact O-N 3.32Å; S736-L738 VanDerWaalsContact C-N 3.33Å; S736-L738 PolarHBondContact O-N 3.3Å; L738-V740 VanDerWaalsContact C-N 3.35Å; L738-V740 PolarHBondContact O-N 2.77Å; L738-G741 PolarHBondContact O-N 3.23Å; L738-G741 VanDerWaalsContact O-N 3.12Å; L738-C743 HydrophobicContact CD2-CB 3.98Å
739S95.3Very high95.7Very high83 Ų8320 Ų2058%0.5813%0.132SC*.Hα-helixtrans-65.6-34.8-177.768.30000113.5A735 S736 G741 K791A735-S739 WeakPolarHBondContact O-CB 3.42Å; A735-S739 PolarHBondContact O-N 2.89Å; A735-S739 PolarHBondContact O-OG 2.85Å; S736-S739 PolarHBondContact O-N 3.29Å; S736-S739 PolarHBondContact O-OG 2.91Å; S739-G741 VanDerWaalsContact C-N 3.25Å; S739-G741 PolarHBondContact O-N 2.75Å; S739-K791 PolarHBondContact O-NZ 3.14Å
740V96.1Very high95.8Very high6 Ų620 Ų204%0.03613%0.132CC..Hα-helixtrans-70.4-26.1175.61680000111.3S736 L738 I788 K791 N813S736-V740 WeakPolarHBondContact O-CB 3.43Å; S736-V740 VanDerWaalsContact O-CG2 3.3Å; S736-V740 WeakPolarHBondContact O-CG2 3.47Å; S736-V740 PolarHBondContact O-N 2.74Å; L738-V740 VanDerWaalsContact C-N 3.35Å; L738-V740 PolarHBondContact O-N 2.77Å; V740-I788 HydrophobicContact CG1-CB 4.19Å; V740-I788 HydrophobicContact CG1-CG1 3.97Å; V740-I788 HydrophobicContact CG1-CG2 3.7Å; V740-K791 VanDerWaalsContact C-NZ 3.34Å; V740-K791 HydrophobicContact CB-CD 4.49Å; V740-K791 HydrophobicContact CG1-CD 4.39Å; V740-K791 PolarHBondContact O-NZ 2.98Å; V740-N813 WeakPolarHBondContact CG2-OD1 3.39Å
741G96.5Very high95.9Very high17 Ų1722.7 Ų22.718%0.17514%0.144CC..THydrogen-bonded Turntrans95.55.6-177.700000113.5A737 L738 S739 H744 C745A737-G741 PolarHBondContact O-N 3.44Å; L738-G741 PolarHBondContact O-N 3.23Å; L738-G741 VanDerWaalsContact O-N 3.12Å; S739-G741 VanDerWaalsContact C-N 3.25Å; S739-G741 PolarHBondContact O-N 2.75Å; G741-H744 PolarHBondContact O-N 3.14Å; G741-C745 WeakPolarHBondContact O-CB 3.3Å; G741-C745 PolarHBondContact O-N 3.02Å
742S97.1Very high95.9Very high1 Ų120.4 Ų20.41%0.00713%0.128CC..Hα-helixtrans-56.5-53.5180173.90000111.6A737 H744 C745 Q746 T820A737-S742 WeakPolarHBondContact O-CB 3.33Å; A737-S742 PolarHBondContact O-N 3.04Å; S742-H744 VanDerWaalsContact C-N 3.34Å; S742-H744 PolarHBondContact O-N 2.83Å; S742-C745 PolarHBondContact O-N 3.25Å; S742-Q746 WeakPolarHBondContact O-CG 3.44Å; S742-Q746 PolarHBondContact O-N 3.12Å; S742-Q746 PolarHBondContact OG-NE2 2.99Å; S742-T820 PolarHBondContact OG-OG1 2.7Å
743C97.1Very high95.6Very high1 Ų120.2 Ų20.21%0.00713%0.127CC..Hα-helixtrans-61-40.4-178.4-59.20000113.1L711 L738 Q746 A747L711-C743 HydrophobicContact CD1-CB 4.23Å; L711-C743 HydrophobicContact CD2-CB 3.65Å; L738-C743 HydrophobicContact CD2-CB 3.98Å; C743-Q746 PolarHBondContact O-N 3.29Å; C743-A747 WeakPolarHBondContact O-CB 3.44Å; C743-A747 PolarHBondContact O-N 3.27Å
744H95.9Very high95.3Very high104 Ų10420.3 Ų20.348%0.48113%0.128SC..Hα-helixtrans-68.2-38.8179.1-66.499.9000111.7G741 S742 A747 A748G741-H744 PolarHBondContact O-N 3.14Å; S742-H744 VanDerWaalsContact C-N 3.34Å; S742-H744 PolarHBondContact O-N 2.83Å; H744-A747 PolarHBondContact O-N 2.88Å; H744-A748 WeakPolarHBondContact O-CB 3.42Å; H744-A748 PolarHBondContact O-N 3.43Å
745C97.9Very high95Very high0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-65.6-42.4175.5-171.10000111.5G741 S742 A748 A749 Q784 I788 T820G741-C745 WeakPolarHBondContact O-CB 3.3Å; G741-C745 PolarHBondContact O-N 3.02Å; S742-C745 PolarHBondContact O-N 3.25Å; C745-A748 PolarHBondContact O-N 3.38Å; C745-A749 WeakPolarHBondContact O-CB 3.29Å; C745-A749 PolarHBondContact O-N 2.86Å; C745-Q784 HydrophobicContact CB-CB 4.08Å; C745-I788 HydrophobicContact CB-CD1 4.01Å; C745-T820 HydrophobicContact CB-CG2 3.71Å; C745-T820 VanDerWaalsContact SG-CG2 3.59Å
746Q97.6Very high94.7Very high6 Ų619.2 Ų19.23%0.02812%0.115CC..Hα-helixtrans-61.5-44.6173.5-66.2177.525.600111.7S742 C743 A748 A749 L750 T820 I823S742-Q746 WeakPolarHBondContact O-CG 3.44Å; S742-Q746 PolarHBondContact O-N 3.12Å; S742-Q746 PolarHBondContact OG-NE2 2.99Å; C743-Q746 PolarHBondContact O-N 3.29Å; Q746-A748 VanDerWaalsContact C-N 3.35Å; Q746-A748 PolarHBondContact O-N 3.01Å; Q746-A749 PolarHBondContact O-N 3.32Å; Q746-L750 VanDerWaalsContact O-CG 3.3Å; Q746-L750 WeakPolarHBondContact O-CG 3.36Å; Q746-L750 PolarHBondContact O-N 3.4Å; Q746-T820 HydrophobicContact CG-CG2 3.98Å; Q746-T820 PolarHBondContact NE2-OG1 3.44Å; Q746-I823 HydrophobicContact CB-CD1 4.38Å; Q746-I823 VanDerWaalsContact CD-CD1 3.44Å; Q746-I823 HydrophobicContact CG-CD1 3.7Å
747A96.6Very high94.2Very high8 Ų818.7 Ų18.77%0.06611%0.108CC..Hα-helixtrans-58.1-46.4175.900000111.7F707 L711 C743 H744 A749 L750 Q751F707-A747 HydrophobicContact CD1-CB 4.11Å; F707-A747 HydrophobicContact CE1-CB 3.78Å; L711-A747 HydrophobicContact CD1-CB 4.08Å; C743-A747 WeakPolarHBondContact O-CB 3.44Å; C743-A747 PolarHBondContact O-N 3.27Å; H744-A747 PolarHBondContact O-N 2.88Å; A747-A749 VanDerWaalsContact C-N 3.33Å; A747-A749 PolarHBondContact O-N 3.06Å; A747-L750 PolarHBondContact O-N 3.28Å; A747-Q751 VanDerWaalsContact O-CB 3.29Å; A747-Q751 WeakPolarHBondContact O-CB 3.43Å; A747-Q751 PolarHBondContact O-N 2.92Å
748A96.5Very high93.8Very high24 Ų2422 Ų2220%0.19812%0.124CC..Hα-helixtrans-63.5-37.9177.600000112.3H744 C745 Q746 L752 L781H744-A748 WeakPolarHBondContact O-CB 3.42Å; H744-A748 PolarHBondContact O-N 3.43Å; C745-A748 PolarHBondContact O-N 3.38Å; Q746-A748 VanDerWaalsContact C-N 3.35Å; Q746-A748 PolarHBondContact O-N 3.01Å; A748-L752 PolarHBondContact O-N 3.41Å; A748-L781 HydrophobicContact CB-CD2 3.8Å
749A96.6Very high93.4Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-66.8-40.6177.200000111.7C745 Q746 A747 L752 L781 I823 V824 S827C745-A749 WeakPolarHBondContact O-CB 3.29Å; C745-A749 PolarHBondContact O-N 2.86Å; Q746-A749 PolarHBondContact O-N 3.32Å; A747-A749 VanDerWaalsContact C-N 3.33Å; A747-A749 PolarHBondContact O-N 3.06Å; A749-L752 WeakPolarHBondContact O-CB 3.37Å; A749-L752 PolarHBondContact O-N 3.03Å; A749-L781 HydrophobicContact CB-CD1 4.49Å; A749-L781 HydrophobicContact CB-CD2 3.99Å; A749-I823 HydrophobicContact CB-CG2 4.31Å; A749-V824 HydrophobicContact CB-CG2 3.82Å; A749-S827 WeakPolarHBondContact O-CB 3.49Å; A749-S827 PolarHBondContact O-OG 3.45Å
750L94.5Very high92.9Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-72.9-37.6178.2-65.2167.6000111.5L669 L670 L673 H700 L704 Q746 A747 L752 S753 I823L669-L750 HydrophobicContact CB-CD1 3.94Å; L669-L750 HydrophobicContact CB-CD2 4.14Å; L669-L750 HydrophobicContact CD1-CD1 3.78Å; L669-L750 HydrophobicContact CG-CD1 4.46Å; L670-L750 HydrophobicContact CD2-CD2 4.16Å; L673-L750 HydrophobicContact CD1-CD2 4.23Å; H700-L750 PolarHBondContact NE2-O 3.37Å; L704-L750 HydrophobicContact CD1-CB 4.12Å; Q746-L750 VanDerWaalsContact O-CG 3.3Å; Q746-L750 WeakPolarHBondContact O-CG 3.36Å; Q746-L750 PolarHBondContact O-N 3.4Å; A747-L750 PolarHBondContact O-N 3.28Å; L750-L752 PolarHBondContact O-N 3.4Å; L750-S753 WeakPolarHBondContact O-CB 3.29Å; L750-S753 PolarHBondContact O-N 3.4Å; L750-S753 VanDerWaalsContact O-N 3.11Å; L750-S753 PolarHBondContact O-OG 3.37Å; L750-I823 HydrophobicContact CD2-CG2 4.19Å; L750-I823 HydrophobicContact CG-CG2 4.24Å
751Q93.3Very high92.4Very high62 Ų6227.2 Ų27.229%0.2915%0.15SC..Hα-helixtrans-58.9-31.3174.1-17771.854.900113.1L704 A747 S753 V754L704-Q751 HydrophobicContact CD2-CB 3.9Å; L704-Q751 VanDerWaalsContact CD2-CD 3.49Å; L704-Q751 HydrophobicContact CD2-CG 4.29Å; A747-Q751 VanDerWaalsContact O-CB 3.29Å; A747-Q751 WeakPolarHBondContact O-CB 3.43Å; A747-Q751 PolarHBondContact O-N 2.92Å; Q751-S753 PolarHBondContact O-N 3.22Å; Q751-V754 WeakPolarHBondContact O-CB 3.24Å; Q751-V754 PolarHBondContact O-N 3.48Å; Q751-V754 VanDerWaalsContact O-N 3.08Å
752L92.3Very high91.9Very high2 Ų228.9 Ų28.91%0.0116%0.162CC..Hα-helixtrans-55.9-34.3176.4-17958.1000112.4A748 A749 L750 V754 H755 L756 I774 V777 F778 L781 C831A748-L752 PolarHBondContact O-N 3.41Å; A749-L752 WeakPolarHBondContact O-CB 3.37Å; A749-L752 PolarHBondContact O-N 3.03Å; L750-L752 PolarHBondContact O-N 3.4Å; L752-V754 VanDerWaalsContact C-N 3.28Å; L752-V754 PolarHBondContact O-N 2.98Å; L752-H755 PolarHBondContact O-N 3.42Å; L752-L756 HydrophobicContact CD1-CD1 4.33Å; L752-L756 HydrophobicContact CD1-CG 4.4Å; L752-L756 HydrophobicContact CG-CD1 3.88Å; L752-L756 HydrophobicContact CG-CG 4.43Å; L752-L756 WeakPolarHBondContact O-CD1 3.29Å; L752-L756 VanDerWaalsContact O-CG 3.24Å; L752-L756 WeakPolarHBondContact O-CG 3.19Å; L752-L756 PolarHBondContact O-N 3.17Å; L752-I774 HydrophobicContact CD1-CG2 3.93Å; L752-V777 HydrophobicContact CB-CG1 4.28Å; L752-V777 HydrophobicContact CD1-CB 4.4Å; L752-V777 HydrophobicContact CD1-CG1 4.09Å; L752-F778 HydrophobicContact CD1-CD1 4.14Å; L752-F778 HydrophobicContact CD1-CE1 3.67Å; L752-F778 HydrophobicContact CD2-CD1 4.06Å; L752-F778 HydrophobicContact CD2-CE1 3.71Å; L752-F778 HydrophobicContact CG-CE1 4.24Å; L752-L781 HydrophobicContact CD2-CD1 4.14Å; L752-C831 VanDerWaalsContact CD2-SG 3.6Å
753S87.8Confident91.3Very high3 Ų329.8 Ų29.82%0.02117%0.171CC..Hα-helixtrans-62.1-34.6178.573.40000112.7H700 L750 Q751 L756 Q757H700-S753 PolarHBondContact CE1-OG 2.94Å; H700-S753 PolarHBondContact NE2-OG 3.04Å; L750-S753 WeakPolarHBondContact O-CB 3.29Å; L750-S753 PolarHBondContact O-N 3.4Å; L750-S753 VanDerWaalsContact O-N 3.11Å; L750-S753 PolarHBondContact O-OG 3.37Å; Q751-S753 PolarHBondContact O-N 3.22Å; S753-L756 PolarHBondContact O-N 3.49Å; S753-Q757 WeakPolarHBondContact O-CG 3.46Å; S753-Q757 PolarHBondContact O-N 3.16Å
754V89.4Confident90.7Very high6 Ų630.6 Ų30.64%0.03618%0.176CC..Hα-helixtrans-65.5-48.2176.6179.80000110.6R701 L704 Q751 L752 L756 Q757 E758R701-V754 HydrophobicContact CG-CG1 4Å; R701-V754 HydrophobicContact CG-CG2 4.05Å; L704-V754 HydrophobicContact CD2-CG2 4.05Å; Q751-V754 WeakPolarHBondContact O-CB 3.24Å; Q751-V754 PolarHBondContact O-N 3.48Å; Q751-V754 VanDerWaalsContact O-N 3.08Å; L752-V754 VanDerWaalsContact C-N 3.28Å; L752-V754 PolarHBondContact O-N 2.98Å; V754-L756 VanDerWaalsContact C-N 3.25Å; V754-L756 PolarHBondContact O-N 3.48Å; V754-Q757 PolarHBondContact O-N 3.13Å; V754-E758 WeakPolarHBondContact O-CG 3.48Å; V754-E758 PolarHBondContact O-N 3.37Å; V754-E758 VanDerWaalsContact O-N 3.13Å
755H90.1Very high89.8Confident20 Ų2029.9 Ų29.99%0.09318%0.175CC..Hα-helixtrans-63.5-33.2177.9-64.4-46.4000112.2L752 E758 L759 L770 Q773 I774L752-H755 PolarHBondContact O-N 3.42Å; H755-E758 IonicContact ND1-OE2 3.65Å; H755-E758 PolarHBondContact O-N 3.35Å; H755-L759 WeakPolarHBondContact O-CB 3.34Å; H755-L759 PolarHBondContact O-N 3.48Å; H755-L770 HydrophobicContact CB-CD1 4.14Å; H755-Q773 PolarHBondContact CE1-NE2 3.2Å; H755-I774 HydrophobicContact CB-CD1 4.17Å; H755-I774 HydrophobicContact CB-CG1 3.73Å
756L88.1Confident88.8Confident1 Ų138.4 Ų38.41%0.00522%0.215CC..Hα-helixtrans-71.7-36177.3-70.2162.3000113.1L752 S753 V754 E758 L759 E760 I774 Y830 C831 I834L752-L756 HydrophobicContact CD1-CD1 4.33Å; L752-L756 HydrophobicContact CD1-CG 4.4Å; L752-L756 HydrophobicContact CG-CD1 3.88Å; L752-L756 HydrophobicContact CG-CG 4.43Å; L752-L756 WeakPolarHBondContact O-CD1 3.29Å; L752-L756 VanDerWaalsContact O-CG 3.24Å; L752-L756 WeakPolarHBondContact O-CG 3.19Å; L752-L756 PolarHBondContact O-N 3.17Å; S753-L756 PolarHBondContact O-N 3.49Å; V754-L756 VanDerWaalsContact C-N 3.25Å; V754-L756 PolarHBondContact O-N 3.48Å; L756-E758 VanDerWaalsContact C-N 3.34Å; L756-L759 HydrophobicContact CD2-CD2 4.47Å; L756-L759 WeakPolarHBondContact O-CB 3.43Å; L756-L759 PolarHBondContact O-N 3.05Å; L756-E760 WeakPolarHBondContact O-CB 3.44Å; L756-E760 PolarHBondContact O-N 3.08Å; L756-I774 HydrophobicContact CD2-CD1 4.29Å; L756-Y830 HydrophobicContact CB-CE1 4.39Å; L756-Y830 HydrophobicContact CD1-CD1 4.05Å; L756-Y830 HydrophobicContact CD1-CE1 4.42Å; L756-C831 HydrophobicContact CD1-CB 3.99Å; L756-C831 WeakPolarHBondContact CD1-SG 3.42Å; L756-C831 HydrophobicContact CD2-CB 4.45Å; L756-I834 HydrophobicContact CB-CD1 3.8Å
757Q86.1Confident88.2Confident31 Ų3138.5 Ų38.515%0.14522%0.217CC..Hα-helixtrans-65.4-39.5173.4-71.91727.300111.5S697 S753 V754 L759 E760 S761 Y830S697-Q757 PolarHBondContact OG-OE1 3.25Å; S753-Q757 WeakPolarHBondContact O-CG 3.46Å; S753-Q757 PolarHBondContact O-N 3.16Å; V754-Q757 PolarHBondContact O-N 3.13Å; Q757-L759 VanDerWaalsContact C-N 3.31Å; Q757-E760 PolarHBondContact O-N 3.17Å; Q757-S761 PolarHBondContact O-N 3.5Å; Q757-S761 PolarHBondContact O-OG 3Å; Q757-Y830 WeakPolarHBondContact CG-OH 3.49Å; Q757-Y830 PolarHBondContact NE2-OH 3.22Å
758E87.8Confident87.6Confident69 Ų6942.1 Ų42.132%0.32224%0.241SC..Hα-helixtrans-62.9-40.6172.6-70.1172.6173.100111R701 V754 H755 L756 S761 A762 L770R701-E758 IonicContact CZ-OE1 2.92Å; R701-E758 IonicContact NH1-OE1 2.66Å; R701-E758 IonicContact NH2-OE1 3.3Å; R701-E758 PolarHBondContact NH2-OE1 2.92Å; V754-E758 WeakPolarHBondContact O-CG 3.48Å; V754-E758 PolarHBondContact O-N 3.37Å; V754-E758 VanDerWaalsContact O-N 3.13Å; H755-E758 IonicContact ND1-OE2 3.65Å; H755-E758 PolarHBondContact O-N 3.35Å; L756-E758 VanDerWaalsContact C-N 3.34Å; E758-S761 PolarHBondContact O-N 3.28Å; E758-A762 WeakPolarHBondContact O-CB 3.43Å; E758-A762 PolarHBondContact O-N 2.95Å; E758-L770 HydrophobicContact CB-CD2 3.73Å
759L88.1Confident87.3Confident0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-66.7-40.2177.2-176.770000112.1H755 L756 Q757 S761 A762 G763 L764 S767 L770 Q771 I774 L835 V859H755-L759 WeakPolarHBondContact O-CB 3.34Å; H755-L759 PolarHBondContact O-N 3.48Å; L756-L759 HydrophobicContact CD2-CD2 4.47Å; L756-L759 WeakPolarHBondContact O-CB 3.43Å; L756-L759 PolarHBondContact O-N 3.05Å; Q757-L759 VanDerWaalsContact C-N 3.31Å; L759-S761 VanDerWaalsContact C-N 3.29Å; L759-S761 PolarHBondContact O-N 2.92Å; L759-A762 PolarHBondContact O-N 3.34Å; L759-G763 WeakPolarHBondContact O-CA 3.41Å; L759-G763 PolarHBondContact O-N 2.96Å; L759-L764 HydrophobicContact CD1-CD2 4.34Å; L759-L764 HydrophobicContact CD2-CD2 4.32Å; L759-S767 WeakPolarHBondContact CD1-OG 3.38Å; L759-L770 HydrophobicContact CB-CD2 3.83Å; L759-L770 HydrophobicContact CB-CG 4.5Å; L759-L770 HydrophobicContact CD1-CD2 4.25Å; L759-L770 VanDerWaalsContact N-CD2 3.34Å; L759-Q771 HydrophobicContact CD1-CG 3.85Å; L759-I774 HydrophobicContact CB-CD1 4Å; L759-I774 HydrophobicContact CD2-CD1 3.76Å; L759-I774 HydrophobicContact CG-CD1 4.33Å; L759-L835 HydrophobicContact CD2-CD2 3.81Å; L759-V859 HydrophobicContact CD2-CG1 4.23Å; L759-V859 HydrophobicContact CD2-CG2 4.17Å
760E86.4Confident87Confident107 Ų10749.8 Ų49.850%0.527%0.274SS..Hα-helixtrans-61.5-41.2175.7-174.6171.5-148.900111.3L756 Q757 I834L756-E760 WeakPolarHBondContact O-CB 3.44Å; L756-E760 PolarHBondContact O-N 3.08Å; Q757-E760 PolarHBondContact O-N 3.17Å; E760-I834 HydrophobicContact CB-CG2 3.99Å; E760-I834 HydrophobicContact CG-CG2 4.39Å
761S85.8Confident86.9Confident109 Ų10950.3 Ų50.376%0.76228%0.276SS*.Hα-helixtrans-69.3-42.8178.5-56.40000112.5Q757 E758 L759Q757-S761 PolarHBondContact O-N 3.5Å; Q757-S761 PolarHBondContact O-OG 3Å; E758-S761 PolarHBondContact O-N 3.28Å; L759-S761 VanDerWaalsContact C-N 3.29Å; L759-S761 PolarHBondContact O-N 2.92Å
762A85.7Confident86.8Confident53 Ų5351.3 Ų51.344%0.43828%0.283SS..Hα-helixtrans-79-27.2-179.100000113.5E758 L759E758-A762 WeakPolarHBondContact O-CB 3.43Å; E758-A762 PolarHBondContact O-N 2.95Å; L759-A762 PolarHBondContact O-N 3.34Å
763G83.6Confident86.9Confident19 Ų1955.6 Ų55.620%0.19630%0.302CS..  trans73.8170.1-172.300000113.6L759 S767L759-G763 WeakPolarHBondContact O-CA 3.41Å; L759-G763 PolarHBondContact O-N 2.96Å; G763-S767 VanDerWaalsContact O-CB 3.25Å; G763-S767 WeakPolarHBondContact O-CB 2.99Å; G763-S767 PolarHBondContact O-OG 2.83Å
764L84.1Confident87.2Confident18 Ų1855.4 Ų55.49%0.09430%0.301CS..SBendtrans-79.4-18.4-171.6-69.1174000115.3L759 Q771 L838 L842 P857 V859L759-L764 HydrophobicContact CD1-CD2 4.34Å; L759-L764 HydrophobicContact CD2-CD2 4.32Å; L764-Q771 PolarHBondContact O-NE2 3.26Å; L764-L838 HydrophobicContact CD1-CB 3.72Å; L764-L838 HydrophobicContact CG-CB 4.02Å; L764-L842 HydrophobicContact CB-CD2 4.27Å; L764-L842 HydrophobicContact CD1-CB 4.33Å; L764-L842 HydrophobicContact CD1-CD2 4.05Å; L764-P857 HydrophobicContact CD1-CB 4.48Å; L764-P857 HydrophobicContact CD1-CG 4.14Å; L764-P857 HydrophobicContact CD2-CB 4.47Å; L764-V859 HydrophobicContact CD2-CG1 3.67Å
765D78.3Confident87.4Confident89 Ų8955.6 Ų55.648%0.47630%0.303SS..SBendtrans-81.8-27.7-173.6-72.8-50.2000112.8L842 K846D765-L842 WeakPolarHBondContact OD1-CD1 3.47Å; D765-L842 WeakPolarHBondContact OD2-CD1 3.32Å; D765-K846 WeakPolarHBondContact OD1-CE 3.35Å; D765-K846 IonicContact OD1-NZ 3.28Å; D765-K846 PolarHBondContact OD1-NZ 3.29Å
766E76.3Confident87.7Confident180 Ų18059.1 Ų59.184%0.84132%0.322SS*.SBendtrans-118.515.4-170.5-64-179.1-175.400113.7
767S84.2Confident88Confident8 Ų860.3 Ų60.36%0.05633%0.329CS..  trans-123.332.5-167.557.50000114.7L759 G763 E769 L770 Q771L759-S767 WeakPolarHBondContact CD1-OG 3.38Å; G763-S767 VanDerWaalsContact O-CB 3.25Å; G763-S767 WeakPolarHBondContact O-CB 2.99Å; G763-S767 PolarHBondContact O-OG 2.83Å; S767-E769 VanDerWaalsContact C-N 3.34Å; S767-E769 PolarHBondContact O-N 3.11Å; S767-L770 PolarHBondContact O-N 2.9Å; S767-Q771 WeakPolarHBondContact O-CG 3.45Å; S767-Q771 PolarHBondContact O-N 3.06Å; S767-Q771 PolarHBondContact OG-NE2 3.25Å
768S85.8Confident88.6Confident83 Ų8359 Ų5958%0.5832%0.323SS*.Hα-helixtrans-56.8-41.3-173.1530000114.1Q771 I772S768-Q771 PolarHBondContact O-N 3.31Å; S768-I772 WeakPolarHBondContact O-CG1 3.3Å; S768-I772 PolarHBondContact O-N 3.14Å; S768-I772 VanDerWaalsContact O-N 3.1Å
769E89Confident88.9Confident161 Ų16161.5 Ų61.575%0.75233%0.333SS*.Hα-helixtrans-66-44.8178.2-67.9-176.4171.200111.9S767 Q771 I772 Q773S767-E769 VanDerWaalsContact C-N 3.34Å; S767-E769 PolarHBondContact O-N 3.11Å; E769-Q771 VanDerWaalsContact C-N 3.32Å; E769-Q771 PolarHBondContact O-N 3.35Å; E769-I772 WeakPolarHBondContact O-CB 3.28Å; E769-I772 PolarHBondContact O-N 3.25Å; E769-I772 VanDerWaalsContact O-N 3.16Å; E769-Q773 PolarHBondContact O-N 3.11Å
770L90.4Very high89.3Confident24 Ų2463.9 Ų63.913%0.12635%0.35CS..Hα-helixtrans-64.2-37.7177.5-174.862.5000111.7H755 E758 L759 S767 I772 Q773 I774H755-L770 HydrophobicContact CB-CD1 4.14Å; E758-L770 HydrophobicContact CB-CD2 3.73Å; L759-L770 HydrophobicContact CB-CD2 3.83Å; L759-L770 HydrophobicContact CB-CG 4.5Å; L759-L770 HydrophobicContact CD1-CD2 4.25Å; L759-L770 VanDerWaalsContact N-CD2 3.34Å; S767-L770 PolarHBondContact O-N 2.9Å; L770-I772 VanDerWaalsContact C-N 3.35Å; L770-I772 PolarHBondContact O-N 3.48Å; L770-Q773 PolarHBondContact O-N 3.09Å; L770-I774 HydrophobicContact CG-CD1 4.12Å; L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.22Å; L770-I774 PolarHBondContact O-N 3.21Å
771Q91.8Very high89.9Confident11 Ų1158.9 Ų58.95%0.05133%0.327CS..Hα-helixtrans-62.6-40.3173.4-70.117846.600112L759 L764 S767 S768 E769 I774 C775 L858 V859L759-Q771 HydrophobicContact CD1-CG 3.85Å; L764-Q771 PolarHBondContact O-NE2 3.26Å; S767-Q771 WeakPolarHBondContact O-CG 3.45Å; S767-Q771 PolarHBondContact O-N 3.06Å; S767-Q771 PolarHBondContact OG-NE2 3.25Å; S768-Q771 PolarHBondContact O-N 3.31Å; E769-Q771 VanDerWaalsContact C-N 3.32Å; E769-Q771 PolarHBondContact O-N 3.35Å; Q771-I774 PolarHBondContact O-N 3.2Å; Q771-C775 WeakPolarHBondContact O-CB 3.44Å; Q771-C775 PolarHBondContact O-N 3.42Å; Q771-C775 PolarHBondContact O-SG 3.26Å; Q771-C775 VanDerWaalsContact O-SG 3.36Å; Q771-L858 HydrophobicContact CB-CD2 4.2Å; Q771-V859 HydrophobicContact CB-CB 4.08Å; Q771-V859 HydrophobicContact CG-CB 3.9Å; Q771-V859 HydrophobicContact CG-CG1 3.91Å
772I92.6Very high90.4Very high84 Ų8454.7 Ų54.743%0.43130%0.296SS..Hα-helixtrans-63.8-44.8174.8-68.1164.8000110.2S768 E769 L770 I774 C775 N776 L858S768-I772 WeakPolarHBondContact O-CG1 3.3Å; S768-I772 PolarHBondContact O-N 3.14Å; S768-I772 VanDerWaalsContact O-N 3.1Å; E769-I772 WeakPolarHBondContact O-CB 3.28Å; E769-I772 PolarHBondContact O-N 3.25Å; E769-I772 VanDerWaalsContact O-N 3.16Å; L770-I772 VanDerWaalsContact C-N 3.35Å; L770-I772 PolarHBondContact O-N 3.48Å; I772-I774 PolarHBondContact O-N 3.41Å; I772-C775 PolarHBondContact O-N 3.36Å; I772-N776 VanDerWaalsContact O-CG 3.24Å; I772-N776 PolarHBondContact O-N 3.28Å; I772-N776 PolarHBondContact O-ND2 3.29Å; I772-L858 HydrophobicContact CG1-CD2 3.9Å
773Q92.8Very high91Very high91 Ų9156 Ų5643%0.42530%0.299SS..Hα-helixtrans-59.9-46.1178.2-171.3174.23.200111.8H755 E769 L770 C775 N776 V777H755-Q773 PolarHBondContact CE1-NE2 3.2Å; E769-Q773 PolarHBondContact O-N 3.11Å; L770-Q773 PolarHBondContact O-N 3.09Å; Q773-C775 PolarHBondContact O-N 2.93Å; Q773-N776 WeakPolarHBondContact O-CB 3.5Å; Q773-N776 PolarHBondContact O-N 3.12Å; Q773-V777 WeakPolarHBondContact O-CG2 3.48Å; Q773-V777 PolarHBondContact O-N 3.41Å
774I94.6Very high91.7Very high0 Ų057 Ų570%030%0.298CS..Hα-helixtrans-60.5-45.3175.8-70.3166.7000111.2L752 H755 L756 L759 L770 Q771 I772 N776 V777 F778 V859L752-I774 HydrophobicContact CD1-CG2 3.93Å; H755-I774 HydrophobicContact CB-CD1 4.17Å; H755-I774 HydrophobicContact CB-CG1 3.73Å; L756-I774 HydrophobicContact CD2-CD1 4.29Å; L759-I774 HydrophobicContact CB-CD1 4Å; L759-I774 HydrophobicContact CD2-CD1 3.76Å; L759-I774 HydrophobicContact CG-CD1 4.33Å; L770-I774 HydrophobicContact CG-CD1 4.12Å; L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.22Å; L770-I774 PolarHBondContact O-N 3.21Å; Q771-I774 PolarHBondContact O-N 3.2Å; I772-I774 PolarHBondContact O-N 3.41Å; I774-N776 VanDerWaalsContact C-N 3.3Å; I774-N776 PolarHBondContact O-N 3Å; I774-V777 WeakPolarHBondContact O-CB 3.44Å; I774-V777 PolarHBondContact O-N 2.94Å; I774-V777 VanDerWaalsContact O-N 3.17Å; I774-F778 HydrophobicContact CG2-CD1 4.33Å; I774-F778 HydrophobicContact CG2-CD2 4.28Å; I774-F778 HydrophobicContact CG2-CE1 3.7Å; I774-F778 HydrophobicContact CG2-CE2 3.62Å; I774-F778 HydrophobicContact CG2-CZ 3.29Å; I774-F778 WeakPolarHBondContact O-CG 3.38Å; I774-F778 PolarHBondContact O-N 3.47Å; I774-V859 HydrophobicContact CB-CG2 4.25Å; I774-V859 HydrophobicContact CG2-CG2 3.64Å
775C94.8Very high92.4Very high10 Ų1056.1 Ų56.17%0.06829%0.294CS..Hα-helixtrans-62.3-35.5176.3-75.80000113Q771 I772 Q773 F778 K779 L858Q771-C775 WeakPolarHBondContact O-CB 3.44Å; Q771-C775 PolarHBondContact O-N 3.42Å; Q771-C775 PolarHBondContact O-SG 3.26Å; Q771-C775 VanDerWaalsContact O-SG 3.36Å; I772-C775 PolarHBondContact O-N 3.36Å; Q773-C775 PolarHBondContact O-N 2.93Å; C775-F778 WeakPolarHBondContact O-CB 3.47Å; C775-F778 PolarHBondContact O-N 2.97Å; C775-K779 WeakPolarHBondContact O-CG 3.46Å; C775-K779 PolarHBondContact O-N 2.94Å; C775-K779 VanDerWaalsContact O-N 3.08Å; C775-L858 HydrophobicContact CB-CD2 4.12Å; C775-L858 VanDerWaalsContact SG-CD2 3.56Å
776N94.8Very high93.3Very high93 Ų9354.2 Ų54.250%0.49728%0.282SS..Hα-helixtrans-66.2-40174.8-69.5-20.1000111.3I772 Q773 I774 K779 S780I772-N776 VanDerWaalsContact O-CG 3.24Å; I772-N776 PolarHBondContact O-N 3.28Å; I772-N776 PolarHBondContact O-ND2 3.29Å; Q773-N776 WeakPolarHBondContact O-CB 3.5Å; Q773-N776 PolarHBondContact O-N 3.12Å; I774-N776 VanDerWaalsContact C-N 3.3Å; I774-N776 PolarHBondContact O-N 3Å; N776-K779 PolarHBondContact O-N 2.96Å; N776-S780 WeakPolarHBondContact O-CB 3.41Å; N776-S780 PolarHBondContact O-N 3.41Å
777V95.7Very high94.3Very high26 Ų2650.4 Ų50.416%0.15826%0.264CS..Hα-helixtrans-61.7-46.4172.9176.10000110.4L752 Q773 I774 K779 S780 L781L752-V777 HydrophobicContact CB-CG1 4.28Å; L752-V777 HydrophobicContact CD1-CB 4.4Å; L752-V777 HydrophobicContact CD1-CG1 4.09Å; Q773-V777 WeakPolarHBondContact O-CG2 3.48Å; Q773-V777 PolarHBondContact O-N 3.41Å; I774-V777 WeakPolarHBondContact O-CB 3.44Å; I774-V777 PolarHBondContact O-N 2.94Å; I774-V777 VanDerWaalsContact O-N 3.17Å; V777-K779 VanDerWaalsContact C-N 3.32Å; V777-K779 PolarHBondContact O-N 3.3Å; V777-S780 PolarHBondContact O-N 3.44Å; V777-S780 VanDerWaalsContact O-N 3.12Å; V777-L781 HydrophobicContact CG1-CD1 4.07Å; V777-L781 HydrophobicContact CG1-CG 4.19Å; V777-L781 WeakPolarHBondContact O-CG 3.47Å; V777-L781 PolarHBondContact O-N 3.36Å
778F97.1Very high95Very high4 Ų450.1 Ų50.12%0.01826%0.262CS..Hα-helixtrans-54-47.5176-64.8-20.2000112.6L752 I774 C775 L781 V782 V859 F863 L866L752-F778 HydrophobicContact CD1-CD1 4.14Å; L752-F778 HydrophobicContact CD1-CE1 3.67Å; L752-F778 HydrophobicContact CD2-CD1 4.06Å; L752-F778 HydrophobicContact CD2-CE1 3.71Å; L752-F778 HydrophobicContact CG-CE1 4.24Å; I774-F778 HydrophobicContact CG2-CD1 4.33Å; I774-F778 HydrophobicContact CG2-CD2 4.28Å; I774-F778 HydrophobicContact CG2-CE1 3.7Å; I774-F778 HydrophobicContact CG2-CE2 3.62Å; I774-F778 HydrophobicContact CG2-CZ 3.29Å; I774-F778 WeakPolarHBondContact O-CG 3.38Å; I774-F778 PolarHBondContact O-N 3.47Å; C775-F778 WeakPolarHBondContact O-CB 3.47Å; C775-F778 PolarHBondContact O-N 2.97Å; F778-L781 PolarHBondContact O-N 3.39Å; F778-V782 WeakPolarHBondContact O-CG2 3.24Å; F778-V782 PolarHBondContact O-N 3.17Å; F778-V859 HydrophobicContact CE2-CG2 4.2Å; F778-V859 HydrophobicContact CZ-CG2 4.47Å; F778-F863 HydrophobicContact CE1-CD2 4.39Å; F778-F863 HydrophobicContact CE2-CB 3.8Å; F778-F863 HydrophobicContact CE2-CD2 4.24Å; F778-F863 HydrophobicContact CZ-CB 4.21Å; F778-F863 AromaticContact CZ-CD2 3.87Å; F778-F863 HydrophobicContact CZ-CD2 3.87Å; F778-L866 HydrophobicContact CB-CB 4.2Å; F778-L866 HydrophobicContact CB-CD1 4.3Å; F778-L866 HydrophobicContact CB-CD2 4.35Å; F778-L866 HydrophobicContact CD1-CD2 3.63Å; F778-L866 HydrophobicContact CE1-CD2 3.98Å; F778-L866 HydrophobicContact CG-CB 4.3Å; F778-L866 HydrophobicContact CG-CD2 3.97Å
779K95.8Very high95.6Very high121 Ų12146.1 Ų46.153%0.52623%0.234SC..Hα-helixtrans-63.3-44.1177.1-70.4176.2-179.1-179.90111.7C775 N776 V777 L781 V782 V783C775-K779 WeakPolarHBondContact O-CG 3.46Å; C775-K779 PolarHBondContact O-N 2.94Å; C775-K779 VanDerWaalsContact O-N 3.08Å; N776-K779 PolarHBondContact O-N 2.96Å; V777-K779 VanDerWaalsContact C-N 3.32Å; V777-K779 PolarHBondContact O-N 3.3Å; K779-L781 PolarHBondContact O-N 3.05Å; K779-V782 PolarHBondContact O-N 3.28Å; K779-V783 WeakPolarHBondContact O-CG2 3.09Å; K779-V783 PolarHBondContact O-N 3.11Å; K779-V783 VanDerWaalsContact O-N 3.12Å
780S96.7Very high95.9Very high51 Ų5142 Ų4236%0.35722%0.217SC..Hα-helixtrans-61.5-41.8178.8-173.10000112.2N776 V777 V782 V783 Q784N776-S780 WeakPolarHBondContact O-CB 3.41Å; N776-S780 PolarHBondContact O-N 3.41Å; V777-S780 PolarHBondContact O-N 3.44Å; V777-S780 VanDerWaalsContact O-N 3.12Å; S780-V782 PolarHBondContact O-N 3.46Å; S780-V783 PolarHBondContact O-N 3.14Å; S780-Q784 WeakPolarHBondContact O-CB 3.37Å; S780-Q784 VanDerWaalsContact O-CG 3.31Å; S780-Q784 WeakPolarHBondContact O-CG 3.24Å; S780-Q784 PolarHBondContact O-N 3.45Å; S780-Q784 PolarHBondContact OG-NE2 3.25Å
781L97.8Very high96.2Very high1 Ų145 Ų451%0.00523%0.229CC..Hα-helixtrans-60.3-44.2177.8-70.6174.6000112.1A748 A749 L752 V777 F778 K779 Q784 L785 V824A748-L781 HydrophobicContact CB-CD2 3.8Å; A749-L781 HydrophobicContact CB-CD1 4.49Å; A749-L781 HydrophobicContact CB-CD2 3.99Å; L752-L781 HydrophobicContact CD2-CD1 4.14Å; V777-L781 HydrophobicContact CG1-CD1 4.07Å; V777-L781 HydrophobicContact CG1-CG 4.19Å; V777-L781 WeakPolarHBondContact O-CG 3.47Å; V777-L781 PolarHBondContact O-N 3.36Å; F778-L781 PolarHBondContact O-N 3.39Å; K779-L781 PolarHBondContact O-N 3.05Å; L781-Q784 PolarHBondContact O-N 3.29Å; L781-L785 WeakPolarHBondContact O-CB 3.48Å; L781-L785 WeakPolarHBondContact O-CG 3.42Å; L781-L785 PolarHBondContact O-N 2.82Å; L781-V824 HydrophobicContact CD1-CG1 4.48Å; L781-V824 HydrophobicContact CD2-CG2 4.39Å
782V97.6Very high96.3Very high21 Ų2144.5 Ų44.513%0.12723%0.227CC..Hα-helixtrans-62.7-45177.2173.60000111F778 K779 S780 L785 Q786 L866 N869 L873F778-V782 WeakPolarHBondContact O-CG2 3.24Å; F778-V782 PolarHBondContact O-N 3.17Å; K779-V782 PolarHBondContact O-N 3.28Å; S780-V782 PolarHBondContact O-N 3.46Å; V782-L785 PolarHBondContact O-N 3.36Å; V782-Q786 WeakPolarHBondContact O-CB 3.29Å; V782-Q786 PolarHBondContact O-N 3.39Å; V782-L866 HydrophobicContact CG2-CD1 3.64Å; V782-N869 HydrophobicContact CB-CB 4.45Å; V782-N869 HydrophobicContact CG1-CB 3.76Å; V782-N869 HydrophobicContact CG2-CB 3.78Å; V782-L873 HydrophobicContact CG1-CD1 3.93Å
783V97.9Very high96.3Very high81 Ų8145.1 Ų45.149%0.49123%0.226SC..Hα-helixtrans-61.7-47.9178.2172.80000110.9K779 S780 L785 Q786 E787K779-V783 WeakPolarHBondContact O-CG2 3.09Å; K779-V783 PolarHBondContact O-N 3.11Å; K779-V783 VanDerWaalsContact O-N 3.12Å; S780-V783 PolarHBondContact O-N 3.14Å; V783-L785 PolarHBondContact O-N 3.09Å; V783-Q786 WeakPolarHBondContact O-CB 3.38Å; V783-Q786 PolarHBondContact O-N 3.21Å; V783-E787 WeakPolarHBondContact O-CG 3.47Å; V783-E787 PolarHBondContact O-N 3.26Å
784Q98Very high96.2Very high39 Ų3942.4 Ų42.418%0.18222%0.223CC..Hα-helixtrans-62.7-43.7178.8-70.6-179.955.300112C745 S780 L781 Q786 E787 I788C745-Q784 HydrophobicContact CB-CB 4.08Å; S780-Q784 WeakPolarHBondContact O-CB 3.37Å; S780-Q784 VanDerWaalsContact O-CG 3.31Å; S780-Q784 WeakPolarHBondContact O-CG 3.24Å; S780-Q784 PolarHBondContact O-N 3.45Å; S780-Q784 PolarHBondContact OG-NE2 3.25Å; L781-Q784 PolarHBondContact O-N 3.29Å; Q784-Q786 VanDerWaalsContact C-N 3.32Å; Q784-Q786 PolarHBondContact O-N 2.85Å; Q784-E787 WeakPolarHBondContact O-CB 3.43Å; Q784-E787 PolarHBondContact O-N 3.1Å; Q784-I788 VanDerWaalsContact O-CG1 3.26Å; Q784-I788 WeakPolarHBondContact O-CG1 3.4Å; Q784-I788 PolarHBondContact O-N 3.11Å
785L98.4Very high96.1Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-61.4-40.7174.7-77174000112.1L781 V782 V783 E787 I788 L789 F817 T820 V821 V824 L870 L873L781-L785 WeakPolarHBondContact O-CB 3.48Å; L781-L785 WeakPolarHBondContact O-CG 3.42Å; L781-L785 PolarHBondContact O-N 2.82Å; V782-L785 PolarHBondContact O-N 3.36Å; V783-L785 PolarHBondContact O-N 3.09Å; L785-E787 VanDerWaalsContact C-N 3.34Å; L785-I788 PolarHBondContact O-N 3.09Å; L785-L789 WeakPolarHBondContact O-CB 3.33Å; L785-L789 PolarHBondContact O-N 3.09Å; L785-F817 HydrophobicContact CB-CE2 4.3Å; L785-F817 HydrophobicContact CD2-CD2 4.41Å; L785-F817 HydrophobicContact CD2-CE2 4.28Å; L785-T820 HydrophobicContact CD2-CG2 3.77Å; L785-V821 HydrophobicContact CD1-CG2 4.21Å; L785-V821 HydrophobicContact CD2-CB 4.12Å; L785-V824 HydrophobicContact CD1-CB 4.28Å; L785-V824 HydrophobicContact CD1-CG1 4.05Å; L785-V824 HydrophobicContact CD1-CG2 4.12Å; L785-V824 HydrophobicContact CD2-CG2 4.47Å; L785-V824 HydrophobicContact CG-CG2 4.5Å; L785-L870 HydrophobicContact CD1-CD2 3.55Å; L785-L873 HydrophobicContact CB-CD1 3.95Å; L785-L873 HydrophobicContact CD1-CD1 4.42Å
786Q98.1Very high96Very high49 Ų4946.6 Ų46.623%0.22925%0.245CC..Hα-helixtrans-63.2-40.3175.8-174.76678.900111.6V782 V783 Q784 L789 N790 L873V782-Q786 WeakPolarHBondContact O-CB 3.29Å; V782-Q786 PolarHBondContact O-N 3.39Å; V783-Q786 WeakPolarHBondContact O-CB 3.38Å; V783-Q786 PolarHBondContact O-N 3.21Å; Q784-Q786 VanDerWaalsContact C-N 3.32Å; Q784-Q786 PolarHBondContact O-N 2.85Å; Q786-L789 PolarHBondContact O-N 3.16Å; Q786-N790 PolarHBondContact NE2-OD1 3.26Å; Q786-N790 WeakPolarHBondContact O-CB 3.4Å; Q786-N790 PolarHBondContact O-N 2.74Å; Q786-N790 PolarHBondContact O-ND2 2.77Å; Q786-L873 HydrophobicContact CB-CD2 3.95Å; Q786-L873 HydrophobicContact CG-CD2 4.34Å
787E97.5Very high95.9Very high101 Ų10142.6 Ų42.647%0.47222%0.223SC..Hα-helixtrans-63.9-44.4175.2-74.2176.4-169.700112V783 Q784 L785 L789 N790 K791V783-E787 WeakPolarHBondContact O-CG 3.47Å; V783-E787 PolarHBondContact O-N 3.26Å; Q784-E787 WeakPolarHBondContact O-CB 3.43Å; Q784-E787 PolarHBondContact O-N 3.1Å; L785-E787 VanDerWaalsContact C-N 3.34Å; E787-L789 PolarHBondContact O-N 3.4Å; E787-N790 PolarHBondContact O-N 2.7Å; E787-K791 WeakPolarHBondContact O-CG 3.47Å; E787-K791 PolarHBondContact O-N 2.85Å
788I97.9Very high95.6Very high1 Ų143.7 Ų43.71%0.00523%0.227CC..Hα-helixtrans-59-48.5175.5-64.7166000110V740 C745 Q784 L785 N790 K791 S792 F817 T820V740-I788 HydrophobicContact CG1-CB 4.19Å; V740-I788 HydrophobicContact CG1-CG1 3.97Å; V740-I788 HydrophobicContact CG1-CG2 3.7Å; C745-I788 HydrophobicContact CB-CD1 4.01Å; Q784-I788 VanDerWaalsContact O-CG1 3.26Å; Q784-I788 WeakPolarHBondContact O-CG1 3.4Å; Q784-I788 PolarHBondContact O-N 3.11Å; L785-I788 PolarHBondContact O-N 3.09Å; I788-N790 VanDerWaalsContact C-N 3.31Å; I788-N790 PolarHBondContact O-N 3.29Å; I788-K791 PolarHBondContact O-N 2.99Å; I788-S792 PolarHBondContact O-N 3.31Å; I788-F817 HydrophobicContact CB-CD2 4.47Å; I788-F817 HydrophobicContact CG2-CB 3.83Å; I788-F817 HydrophobicContact CG2-CD2 4.2Å; I788-T820 HydrophobicContact CD1-CG2 4.1Å
789L97.4Very high95Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-63.8-35176.8-177.361.4000112.3L785 Q786 E787 S792 L814 F817 L873 Q876 A877L785-L789 WeakPolarHBondContact O-CB 3.33Å; L785-L789 PolarHBondContact O-N 3.09Å; Q786-L789 PolarHBondContact O-N 3.16Å; E787-L789 PolarHBondContact O-N 3.4Å; L789-S792 PolarHBondContact O-N 2.9Å; L789-S792 PolarHBondContact O-OG 3.47Å; L789-L814 HydrophobicContact CD1-CD2 4.41Å; L789-F817 HydrophobicContact CB-CD2 3.85Å; L789-F817 HydrophobicContact CB-CE2 3.8Å; L789-F817 HydrophobicContact CB-CZ 4.46Å; L789-F817 HydrophobicContact CD1-CD1 4.42Å; L789-F817 HydrophobicContact CD1-CE1 4.44Å; L789-F817 HydrophobicContact CD1-CG 4.45Å; L789-F817 HydrophobicContact CD1-CZ 4.49Å; L789-F817 HydrophobicContact CD2-CE2 4.41Å; L789-F817 HydrophobicContact CD2-CZ 4.32Å; L789-F817 HydrophobicContact CG-CE2 4.47Å; L789-L873 HydrophobicContact CD2-CD2 4.37Å; L789-Q876 HydrophobicContact CD2-CB 4.23Å; L789-A877 HydrophobicContact CD1-CB 3.78Å; L789-A877 HydrophobicContact CD2-CB 4.1Å
790N96.9Very high94.2Very high74 Ų7446.5 Ų46.540%0.39624%0.244SC..Hα-helixtrans-68.6-36.5176.4-73.8-22.1000111.8Q786 E787 I788 S792 K793Q786-N790 PolarHBondContact NE2-OD1 3.26Å; Q786-N790 WeakPolarHBondContact O-CB 3.4Å; Q786-N790 PolarHBondContact O-N 2.74Å; Q786-N790 PolarHBondContact O-ND2 2.77Å; E787-N790 PolarHBondContact O-N 2.7Å; I788-N790 VanDerWaalsContact C-N 3.31Å; I788-N790 PolarHBondContact O-N 3.29Å; N790-S792 PolarHBondContact O-N 2.81Å; N790-K793 WeakPolarHBondContact O-CB 3.44Å; N790-K793 PolarHBondContact O-N 3.23Å; N790-K793 VanDerWaalsContact O-N 3.17Å; N790-K793 WeakPolarHBondContact OD1-CE 3.24Å; N790-K793 PolarHBondContact OD1-NZ 3.15Å
791K96.2Very high93Very high87 Ų8753.1 Ų53.138%0.37827%0.269SS..Hα-helixtrans-68.5-13.5174.5-71.5175.7-176.3172.60113.5S739 V740 E787 I788 L810 N813S739-K791 PolarHBondContact O-NZ 3.14Å; V740-K791 VanDerWaalsContact C-NZ 3.34Å; V740-K791 HydrophobicContact CB-CD 4.49Å; V740-K791 HydrophobicContact CG1-CD 4.39Å; V740-K791 PolarHBondContact O-NZ 2.98Å; E787-K791 WeakPolarHBondContact O-CG 3.47Å; E787-K791 PolarHBondContact O-N 2.85Å; I788-K791 PolarHBondContact O-N 2.99Å; K791-L810 WeakPolarHBondContact O-CD2 3.44Å; K791-N813 PolarHBondContact O-ND2 2.98Å
792S94.1Very high91.7Very high0 Ų056 Ų560%029%0.289CS..THydrogen-bonded Turntrans-94-6.9174810000113.4I788 L789 N790 L814 H880I788-S792 PolarHBondContact O-N 3.31Å; L789-S792 PolarHBondContact O-N 2.9Å; L789-S792 PolarHBondContact O-OG 3.47Å; N790-S792 PolarHBondContact O-N 2.81Å; S792-L814 WeakPolarHBondContact OG-CD2 3.47Å; S792-H880 PolarHBondContact O-NE2 3.34Å
793K93Very high91Very high97 Ų9758.8 Ų58.842%0.42230%0.299SS..  trans-76.1136.2178.4-70.1175.1-179.6167.90110.9N790N790-K793 WeakPolarHBondContact O-CB 3.44Å; N790-K793 PolarHBondContact O-N 3.23Å; N790-K793 VanDerWaalsContact O-N 3.17Å; N790-K793 WeakPolarHBondContact OD1-CE 3.24Å; N790-K793 PolarHBondContact OD1-NZ 3.15Å
794G91.1Very high90.5Very high34 Ų3455 Ų5535%0.35128%0.277SS..SBendtrans153.2-178.2179.500000108.8Q884G794-Q884 VanDerWaalsContact O-CD 3.27Å; G794-Q884 PolarHBondContact O-NE2 3.3Å; G794-Q884 PolarHBondContact O-OE1 2.75Å
795D91.3Very high90.2Very high97 Ų9757.4 Ų57.452%0.51929%0.286SS..  trans-92.1120.9174.4-64.3-37000109.4L797D795-L797 VanDerWaalsContact C-N 3.27Å; D795-L797 PolarHBondContact O-N 3.09Å
796L93.2Very high90Very high1 Ų157.8 Ų57.81%0.00529%0.289CS..SBendtrans-66.5-33.6178.5-66.4-179.1000112.4Q807 L810 L811 I888 Y920 L924L796-Q807 PolarHBondContact O-N 3.07Å; L796-L810 HydrophobicContact CD2-CB 3.4Å; L796-L810 HydrophobicContact CD2-CD1 4.32Å; L796-L810 HydrophobicContact CD2-CG 4.49Å; L796-L811 HydrophobicContact CD2-CB 4.15Å; L796-I888 HydrophobicContact CB-CD1 4.18Å; L796-I888 HydrophobicContact CD1-CD1 4.34Å; L796-Y920 HydrophobicContact CB-CD1 3.95Å; L796-Y920 HydrophobicContact CB-CE1 3.95Å; L796-Y920 HydrophobicContact CD1-CD1 4.01Å; L796-Y920 HydrophobicContact CD1-CE1 4.41Å; L796-Y920 HydrophobicContact CD2-CE1 4.47Å; L796-Y920 HydrophobicContact CG-CD1 4.48Å; L796-L924 HydrophobicContact CD1-CD1 3.97Å; L796-L924 HydrophobicContact CD1-CD2 3.77Å; L796-L924 HydrophobicContact CD1-CG 4.05Å
797L92.4Very high89.8Confident10 Ų1058.1 Ų58.15%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-127.3114.2174.8-64.4179.1000108.3D795 L804 K805 T806 I888 L891 V916 Q917 Y920D795-L797 VanDerWaalsContact C-N 3.27Å; D795-L797 PolarHBondContact O-N 3.09Å; L797-L804 HydrophobicContact CB-CD1 4.23Å; L797-L804 HydrophobicContact CD2-CD1 4.45Å; L797-K805 WeakPolarHBondContact CA-O 3.41Å; L797-T806 HydrophobicContact CD2-CG2 3.78Å; L797-I888 HydrophobicContact CB-CG1 4.46Å; L797-I888 HydrophobicContact CD1-CD1 4.35Å; L797-I888 HydrophobicContact CD1-CG1 4.17Å; L797-I888 HydrophobicContact CD1-CG2 3.84Å; L797-I888 HydrophobicContact CG-CD1 4.49Å; L797-I888 HydrophobicContact CG-CG1 4.43Å; L797-L891 HydrophobicContact CB-CD1 3.66Å; L797-L891 HydrophobicContact CD1-CD1 4.26Å; L797-V916 HydrophobicContact CD2-CG1 4.42Å; L797-Q917 HydrophobicContact CD1-CB 4.36Å; L797-Q917 HydrophobicContact CD1-CG 4.22Å; L797-Y920 HydrophobicContact CD2-CD2 4.07Å; L797-Y920 HydrophobicContact CD2-CE2 4.01Å; L797-Y920 HydrophobicContact CG-CD2 4.48Å
798E88.8Confident89.7Confident49 Ų4955 Ų5523%0.22928%0.279CS..EExtended strand (participates in β ladder)trans-109.4127.6-179.5-178.9172.9-141.500109.6K800 K805E798-K800 VanDerWaalsContact CD-NZ 3.35Å; E798-K800 HydrophobicContact CG-CD 4.08Å; E798-K800 HydrophobicContact CG-CG 4.02Å; E798-K800 WeakPolarHBondContact OE1-CD 3.34Å; E798-K800 WeakPolarHBondContact OE1-CE 3.48Å; E798-K800 IonicContact OE1-NZ 2.7Å; E798-K800 PolarHBondContact OE1-NZ 3.43Å; E798-K800 IonicContact OE2-NZ 2.8Å; E798-K800 PolarHBondContact OE2-NZ 3.17Å; E798-K805 HydrophobicContact CB-CB 4.34Å; E798-K805 PolarHBondContact N-O 2.99Å; E798-K805 PolarHBondContact O-N 3.47Å
799V84.8Confident89.6Confident58 Ų5857.7 Ų57.735%0.35230%0.297SS..EExtended strand (participates in β ladder)trans-108.2110.2173.2178.80000108.7K803 L804 L891 L893 L896V799-K803 WeakPolarHBondContact CA-O 3.24Å; V799-L804 HydrophobicContact CG2-CD1 3.79Å; V799-L891 HydrophobicContact CB-CD2 4.49Å; V799-L891 HydrophobicContact CG2-CD1 4.4Å; V799-L891 HydrophobicContact CG2-CD2 3.86Å; V799-L893 HydrophobicContact CG2-CD2 4.27Å; V799-L896 HydrophobicContact CG1-CD2 3.84Å
800K78.4Confident89.6Confident126 Ų12658.7 Ų58.755%0.54830%0.303SS..EExtended strand (participates in β ladder)trans-127.9130.7177.2-84.4176.4167156.70109.3E798 S802 K803E798-K800 VanDerWaalsContact CD-NZ 3.35Å; E798-K800 HydrophobicContact CG-CD 4.08Å; E798-K800 HydrophobicContact CG-CG 4.02Å; E798-K800 WeakPolarHBondContact OE1-CD 3.34Å; E798-K800 WeakPolarHBondContact OE1-CE 3.48Å; E798-K800 IonicContact OE1-NZ 2.7Å; E798-K800 PolarHBondContact OE1-NZ 3.43Å; E798-K800 IonicContact OE2-NZ 2.8Å; E798-K800 PolarHBondContact OE2-NZ 3.17Å; K800-S802 PolarHBondContact O-N 2.88Å; K800-S802 VanDerWaalsContact O-N 3.11Å; K800-K803 PolarHBondContact N-O 2.64Å; K800-K803 WeakPolarHBondContact O-CA 3.36Å; K800-K803 WeakPolarHBondContact O-CB 3.3Å; K800-K803 PolarHBondContact O-N 3.22Å
801E71.6Confident89.6Confident189 Ų18955.2 Ų55.288%0.88328%0.284SS*.THydrogen-bonded Turntrans51.737.6175.3-58.2-179.9173.400113.4K803E801-K803 PolarHBondContact O-N 3.45Å
802S72.1Confident89.6Confident61 Ų6152.3 Ų52.343%0.42727%0.272SS..THydrogen-bonded Turntrans66.88.5-175.1-50.20000116.2K800K800-S802 PolarHBondContact O-N 2.88Å; K800-S802 VanDerWaalsContact O-N 3.11Å
803K81.6Confident89.8Confident80 Ų8053.1 Ų53.135%0.34828%0.276SS..EExtended strand (participates in β ladder)trans-96.8137.8170.4-57.5-168.9178.8-126.50110.6D457 D459 V799 K800 E801D457-K803 IonicContact OD1-NZ 3.8Å; D457-K803 PolarHBondContact OD1-NZ 2.89Å; D457-K803 IonicContact OD2-NZ 3.84Å; D457-K803 PolarHBondContact OD2-NZ 2.9Å; D459-K803 VanDerWaalsContact OD2-CD 3.29Å; D459-K803 WeakPolarHBondContact OD2-CD 3.43Å; D459-K803 WeakPolarHBondContact OD2-CE 3.25Å; D459-K803 WeakPolarHBondContact OD2-CG 3.23Å; D459-K803 IonicContact OD2-NZ 3.81Å; D459-K803 PolarHBondContact OD2-NZ 3.47Å; V799-K803 WeakPolarHBondContact CA-O 3.24Å; K800-K803 PolarHBondContact N-O 2.64Å; K800-K803 WeakPolarHBondContact O-CA 3.36Å; K800-K803 WeakPolarHBondContact O-CB 3.3Å; K800-K803 PolarHBondContact O-N 3.22Å; E801-K803 PolarHBondContact O-N 3.45Å
804L88.1Confident90Very high2 Ų248.6 Ų48.61%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-97.1124.4174.117864.6000109.2W462 L797 V799 L893 L896 M913W462-L804 HydrophobicContact CH2-CD2 3.89Å; W462-L804 HydrophobicContact CZ2-CB 4.35Å; W462-L804 HydrophobicContact CZ2-CD2 3.54Å; W462-L804 HydrophobicContact CZ2-CG 3.83Å; W462-L804 PolarHBondContact NE1-O 3.06Å; L797-L804 HydrophobicContact CB-CD1 4.23Å; L797-L804 HydrophobicContact CD2-CD1 4.45Å; V799-L804 HydrophobicContact CG2-CD1 3.79Å; L804-L893 HydrophobicContact CD1-CD2 4.03Å; L804-L893 HydrophobicContact CD2-CD1 4.07Å; L804-L893 HydrophobicContact CD2-CD2 4.06Å; L804-L896 HydrophobicContact CB-CD1 4.38Å; L804-M913 HydrophobicContact CD2-CB 4.22Å; L804-M913 HydrophobicContact CD2-CG 4.05Å; L804-M913 HydrophobicContact CD2-SD 4.35Å
805K91.4Very high90.4Very high90 Ų9047 Ų4739%0.39124%0.24SC..EExtended strand (participates in β ladder)trans-114.9133.1177.4-160.7-178.4177.7159.30111.3E458 L797 E798E458-K805 VanDerWaalsContact CD-CG 3.44Å; E458-K805 VanDerWaalsContact OE1-CE 3.25Å; E458-K805 WeakPolarHBondContact OE1-CE 3.3Å; E458-K805 WeakPolarHBondContact OE1-CG 3.3Å; E458-K805 VanDerWaalsContact OE2-CA 3.26Å; E458-K805 WeakPolarHBondContact OE2-CA 3.3Å; L797-K805 WeakPolarHBondContact CA-O 3.41Å; E798-K805 HydrophobicContact CB-CB 4.34Å; E798-K805 PolarHBondContact N-O 2.99Å; E798-K805 PolarHBondContact O-N 3.47Å
806T93.7Very high90.7Very high7 Ų742.4 Ų42.44%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-101.1146.1176.4660000112.1E458 W462 L492 L797 V916E458-T806 PolarHBondContact OE2-N 3.39Å; W462-T806 HydrophobicContact CH2-CG2 3.99Å; W462-T806 HydrophobicContact CZ2-CG2 3.71Å; L492-T806 HydrophobicContact CB-CG2 4.5Å; L492-T806 HydrophobicContact CD2-CG2 4.12Å; L492-T806 WeakPolarHBondContact CD2-OG1 3.38Å; L797-T806 HydrophobicContact CD2-CG2 3.78Å; T806-V916 HydrophobicContact CG2-CG1 4.24Å
807Q94.7Very high91Very high57 Ų5742.3 Ų42.327%0.26622%0.215SC..  trans-126.271.3176.4-65.2-70.5-7.600110.8L796 S809 L810L796-Q807 PolarHBondContact O-N 3.07Å; Q807-S809 PolarHBondContact O-N 3.34Å; Q807-L810 HydrophobicContact CB-CD1 3.78Å; Q807-L810 HydrophobicContact CB-CG 4.05Å; Q807-L810 HydrophobicContact CG-CD1 4.36Å; Q807-L810 PolarHBondContact O-N 2.8Å
808P95.2Very high91.3Very high35 Ų3542 Ų4223%0.22721%0.213CC..Hα-helixtrans-61.1-28.4-176.824.3-35.4000113.9L810 L811 E812 Y920P808-L810 VanDerWaalsContact C-N 3.3Å; P808-L810 PolarHBondContact O-N 2.7Å; P808-L811 PolarHBondContact O-N 2.96Å; P808-E812 PolarHBondContact O-N 2.92Å; P808-Y920 WeakPolarHBondContact CA-OH 3.33Å
809S95.8Very high91.7Very high57 Ų5739.8 Ų39.840%0.39920%0.203SC..Hα-helixtrans-62.1-35.317856.40000113Q807 E812 N813Q807-S809 PolarHBondContact O-N 3.34Å; S809-E812 PolarHBondContact O-N 2.77Å; S809-N813 WeakPolarHBondContact O-CB 3.38Å; S809-N813 PolarHBondContact O-N 2.9Å; S809-N813 PolarHBondContact O-ND2 3.27Å; S809-N813 PolarHBondContact O-OD1 2.85Å
810L96.8Very high92.3Very high22 Ų2237 Ų3712%0.11519%0.186CC..Hα-helixtrans-67-38.6177.1-66.5-178.7000111.5K791 L796 Q807 P808 N813 L814K791-L810 WeakPolarHBondContact O-CD2 3.44Å; L796-L810 HydrophobicContact CD2-CB 3.4Å; L796-L810 HydrophobicContact CD2-CD1 4.32Å; L796-L810 HydrophobicContact CD2-CG 4.49Å; Q807-L810 HydrophobicContact CB-CD1 3.78Å; Q807-L810 HydrophobicContact CB-CG 4.05Å; Q807-L810 HydrophobicContact CG-CD1 4.36Å; Q807-L810 PolarHBondContact O-N 2.8Å; P808-L810 VanDerWaalsContact C-N 3.3Å; P808-L810 PolarHBondContact O-N 2.7Å; L810-N813 PolarHBondContact O-N 2.98Å; L810-L814 PolarHBondContact O-N 3.13Å; L810-L814 VanDerWaalsContact O-N 3.1Å
811L97Very high93.3Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-66.7-44.9174.2-179.261.5000111L526 L796 P808 N813 L814 V815 Y920L526-L811 HydrophobicContact CD2-CD2 4.43Å; L796-L811 HydrophobicContact CD2-CB 4.15Å; P808-L811 PolarHBondContact O-N 2.96Å; L811-N813 VanDerWaalsContact C-N 3.27Å; L811-N813 PolarHBondContact O-N 3.34Å; L811-L814 WeakPolarHBondContact O-CB 3.39Å; L811-L814 PolarHBondContact O-N 2.89Å; L811-L814 VanDerWaalsContact O-N 3.1Å; L811-V815 PolarHBondContact O-N 3.36Å; L811-V815 VanDerWaalsContact O-N 3.08Å; L811-Y920 HydrophobicContact CB-CE1 4.3Å; L811-Y920 HydrophobicContact CD2-CD1 4.04Å; L811-Y920 HydrophobicContact CD2-CE1 3.98Å
812E97.4Very high94.5Very high26 Ų2622 Ų2212%0.12112%0.118CC..Hα-helixtrans-59.9-37.8175.3-173.2175.2-126.300111.7R733 S736 P808 S809 L814 V815 F816R733-E812 WeakPolarHBondContact CG-OE1 3.44Å; R733-E812 IonicContact NE-OE1 2.76Å; R733-E812 PolarHBondContact NE-OE1 2.92Å; S736-E812 WeakPolarHBondContact CB-OE2 3.2Å; S736-E812 PolarHBondContact OG-OE2 3.34Å; P808-E812 PolarHBondContact O-N 2.92Å; S809-E812 PolarHBondContact O-N 2.77Å; E812-L814 PolarHBondContact O-N 3.34Å; E812-V815 PolarHBondContact O-N 3.29Å; E812-F816 HydrophobicContact CG-CD2 4.12Å; E812-F816 HydrophobicContact CG-CE2 3.58Å; E812-F816 HydrophobicContact CG-CZ 3.99Å; E812-F816 WeakPolarHBondContact O-CD2 3.34Å; E812-F816 PolarHBondContact O-N 2.9Å
813N97.8Very high95.7Very high18 Ų1819.1 Ų19.110%0.09610%0.098CC..Hα-helixtrans-64.3-36.8174.6-66.8-10.7000112.6V740 K791 S809 L810 L811 V815 F816 F817V740-N813 WeakPolarHBondContact CG2-OD1 3.39Å; K791-N813 PolarHBondContact O-ND2 2.98Å; S809-N813 WeakPolarHBondContact O-CB 3.38Å; S809-N813 PolarHBondContact O-N 2.9Å; S809-N813 PolarHBondContact O-ND2 3.27Å; S809-N813 PolarHBondContact O-OD1 2.85Å; L810-N813 PolarHBondContact O-N 2.98Å; L811-N813 VanDerWaalsContact C-N 3.27Å; L811-N813 PolarHBondContact O-N 3.34Å; N813-V815 VanDerWaalsContact C-N 3.35Å; N813-F816 PolarHBondContact O-N 3.16Å; N813-F817 PolarHBondContact O-N 3.04Å
814L97.8Very high96.5Very high1 Ų115.4 Ų15.41%0.0058%0.082CC..Hα-helixtrans-64-40.1172.3-74.6173.8000111.8L789 S792 L810 L811 E812 F817 L818 I881 L924L789-L814 HydrophobicContact CD1-CD2 4.41Å; S792-L814 WeakPolarHBondContact OG-CD2 3.47Å; L810-L814 PolarHBondContact O-N 3.13Å; L810-L814 VanDerWaalsContact O-N 3.1Å; L811-L814 WeakPolarHBondContact O-CB 3.39Å; L811-L814 PolarHBondContact O-N 2.89Å; L811-L814 VanDerWaalsContact O-N 3.1Å; E812-L814 PolarHBondContact O-N 3.34Å; L814-F817 WeakPolarHBondContact O-CB 3.42Å; L814-F817 PolarHBondContact O-N 3.31Å; L814-L818 PolarHBondContact O-N 3.16Å; L814-I881 HydrophobicContact CD1-CG1 4.37Å; L814-L924 HydrophobicContact CD1-CD2 3.98Å
815V98.3Very high96.9Very high0 Ų015.5 Ų15.50%08%0.082CC..Hα-helixtrans-65.3-44.5175.6-179.10000110.2E524 F529 L811 E812 N813 F817 L818 E819 V927E524-V815 WeakPolarHBondContact O-CG1 3.31Å; F529-V815 HydrophobicContact CE1-CG1 4.4Å; F529-V815 HydrophobicContact CZ-CG1 4.4Å; L811-V815 PolarHBondContact O-N 3.36Å; L811-V815 VanDerWaalsContact O-N 3.08Å; E812-V815 PolarHBondContact O-N 3.29Å; N813-V815 VanDerWaalsContact C-N 3.35Å; V815-F817 VanDerWaalsContact C-N 3.29Å; V815-F817 PolarHBondContact O-N 2.86Å; V815-L818 WeakPolarHBondContact O-CB 3.41Å; V815-L818 PolarHBondContact O-N 3.5Å; V815-L818 VanDerWaalsContact O-N 3.14Å; V815-E819 HydrophobicContact CG1-CG 4.46Å; V815-E819 WeakPolarHBondContact CG1-OE1 3.41Å; V815-E819 WeakPolarHBondContact O-CG 3.19Å; V815-E819 PolarHBondContact O-N 3.2Å; V815-V927 HydrophobicContact CG2-CG2 4.21Å
816F98.5Very high97.1Very high1 Ų111.4 Ų11.40%0.0047%0.065CC..Hα-helixtrans-59.9-38.2173.8-72.1-45.3000112.9W659 R733 A737 E812 N813 T820W659-F816 HydrophobicContact CH2-CE1 4.44Å; R733-F816 HydrophobicContact CB-CE1 4.34Å; R733-F816 HydrophobicContact CB-CZ 3.99Å; R733-F816 HydrophobicContact CG-CE1 4.39Å; R733-F816 HydrophobicContact CG-CZ 3.94Å; R733-F816 VanDerWaalsContact CZ-CE1 3.45Å; R733-F816 VanDerWaalsContact NH2-CD1 3.29Å; A737-F816 HydrophobicContact CB-CD1 4.22Å; A737-F816 HydrophobicContact CB-CE1 3.61Å; A737-F816 HydrophobicContact CB-CE2 4.26Å; A737-F816 HydrophobicContact CB-CZ 3.64Å; E812-F816 HydrophobicContact CG-CD2 4.12Å; E812-F816 HydrophobicContact CG-CE2 3.58Å; E812-F816 HydrophobicContact CG-CZ 3.99Å; E812-F816 WeakPolarHBondContact O-CD2 3.34Å; E812-F816 PolarHBondContact O-N 2.9Å; N813-F816 PolarHBondContact O-N 3.16Å; F816-T820 WeakPolarHBondContact O-CB 3.33Å; F816-T820 PolarHBondContact O-N 3.24Å; F816-T820 PolarHBondContact O-OG1 3.49Å
817F98.5Very high97.1Very high0 Ų011.2 Ų11.20%06%0.064CC..Hα-helixtrans-59.8-48.7173.6176.4-99.5000111.1L785 I788 L789 N813 L814 V815 T820 V821 L874 A877 L931L785-F817 HydrophobicContact CB-CE2 4.3Å; L785-F817 HydrophobicContact CD2-CD2 4.41Å; L785-F817 HydrophobicContact CD2-CE2 4.28Å; I788-F817 HydrophobicContact CB-CD2 4.47Å; I788-F817 HydrophobicContact CG2-CB 3.83Å; I788-F817 HydrophobicContact CG2-CD2 4.2Å; L789-F817 HydrophobicContact CB-CD2 3.85Å; L789-F817 HydrophobicContact CB-CE2 3.8Å; L789-F817 HydrophobicContact CB-CZ 4.46Å; L789-F817 HydrophobicContact CD1-CD1 4.42Å; L789-F817 HydrophobicContact CD1-CE1 4.44Å; L789-F817 HydrophobicContact CD1-CG 4.45Å; L789-F817 HydrophobicContact CD1-CZ 4.49Å; L789-F817 HydrophobicContact CD2-CE2 4.41Å; L789-F817 HydrophobicContact CD2-CZ 4.32Å; L789-F817 HydrophobicContact CG-CE2 4.47Å; N813-F817 PolarHBondContact O-N 3.04Å; L814-F817 WeakPolarHBondContact O-CB 3.42Å; L814-F817 PolarHBondContact O-N 3.31Å; V815-F817 VanDerWaalsContact C-N 3.29Å; V815-F817 PolarHBondContact O-N 2.86Å; F817-T820 PolarHBondContact O-N 3.45Å; F817-V821 HydrophobicContact CE1-CG1 4.33Å; F817-V821 WeakPolarHBondContact O-CB 3.3Å; F817-V821 WeakPolarHBondContact O-CG1 3.48Å; F817-V821 PolarHBondContact O-N 3.09Å; F817-L874 HydrophobicContact CE1-CD2 4.39Å; F817-A877 HydrophobicContact CD1-CB 4.24Å; F817-A877 HydrophobicContact CE1-CB 3.5Å; F817-A877 VanDerWaalsContact CE1-CB 3.5Å; F817-A877 HydrophobicContact CZ-CB 4.04Å; F817-L931 HydrophobicContact CD1-CD2 4.29Å; F817-L931 HydrophobicContact CE1-CD2 4.09Å
818L98.2Very high97Very high3 Ų38.6 Ų8.62%0.0165%0.051CC..Hα-helixtrans-60.4-47.5178.8169.669.8000112.5F529 L814 V815 T820 V821 S822 V927 L930 L931F529-L818 HydrophobicContact CE1-CD2 4.41Å; F529-L818 HydrophobicContact CE2-CD2 3.62Å; F529-L818 HydrophobicContact CZ-CD2 3.37Å; L814-L818 PolarHBondContact O-N 3.16Å; V815-L818 WeakPolarHBondContact O-CB 3.41Å; V815-L818 PolarHBondContact O-N 3.5Å; V815-L818 VanDerWaalsContact O-N 3.14Å; L818-T820 VanDerWaalsContact C-N 3.34Å; L818-V821 WeakPolarHBondContact O-CG1 3.36Å; L818-S822 WeakPolarHBondContact O-CB 3.38Å; L818-S822 PolarHBondContact O-N 3.12Å; L818-S822 VanDerWaalsContact O-N 3.11Å; L818-S822 PolarHBondContact O-OG 3.4Å; L818-V927 HydrophobicContact CD2-CG1 4.29Å; L818-L930 HydrophobicContact CD1-CB 4.22Å; L818-L930 HydrophobicContact CD1-CD2 3.98Å; L818-L930 HydrophobicContact CD1-CG 3.97Å; L818-L930 HydrophobicContact CD2-CB 4.48Å; L818-L930 HydrophobicContact CD2-CD2 3.82Å; L818-L930 HydrophobicContact CG-CD2 4.27Å; L818-L931 HydrophobicContact CB-CD2 4.27Å; L818-L931 HydrophobicContact CD1-CD2 3.5Å; L818-L931 HydrophobicContact CD1-CG 3.78Å; L818-L931 HydrophobicContact CG-CD2 4.49Å
819E98.1Very high96.9Very high2 Ų28 Ų81%0.0095%0.048CC..Hα-helixtrans-61-45.5177.3-70.7176.4-121.100111E524 Y595 R663 R733 V815 S822 I823E524-E819 VanDerWaalsContact OE1-CD 3.26Å; Y595-E819 HydrophobicContact CD2-CG 4.39Å; Y595-E819 HydrophobicContact CE1-CB 4.13Å; Y595-E819 HydrophobicContact CE1-CG 4.41Å; Y595-E819 HydrophobicContact CE2-CB 4.37Å; Y595-E819 HydrophobicContact CE2-CG 3.89Å; R663-E819 IonicContact CZ-OE2 3.89Å; R663-E819 IonicContact NH1-OE2 3.5Å; R663-E819 PolarHBondContact NH1-OE2 2.88Å; R663-E819 IonicContact NH2-OE2 3.92Å; R663-E819 PolarHBondContact NH2-OE2 3Å; R733-E819 IonicContact CZ-OE1 2.6Å; R733-E819 VanDerWaalsContact CZ-OE1 3.29Å; R733-E819 IonicContact NH1-OE1 3.5Å; R733-E819 PolarHBondContact NH1-OE1 3.01Å; R733-E819 IonicContact NH2-OE1 3.64Å; R733-E819 PolarHBondContact NH2-OE1 2.94Å; V815-E819 HydrophobicContact CG1-CG 4.46Å; V815-E819 WeakPolarHBondContact CG1-OE1 3.41Å; V815-E819 WeakPolarHBondContact O-CG 3.19Å; V815-E819 PolarHBondContact O-N 3.2Å; E819-S822 WeakPolarHBondContact O-CB 3.08Å; E819-S822 PolarHBondContact O-N 2.92Å; E819-I823 PolarHBondContact O-N 3.32Å
820T98.4Very high96.7Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-69.4-45.6-176.8-57.90000111.8S742 C745 Q746 L785 I788 F816 F817 L818 S822 I823 V824S742-T820 PolarHBondContact OG-OG1 2.7Å; C745-T820 HydrophobicContact CB-CG2 3.71Å; C745-T820 VanDerWaalsContact SG-CG2 3.59Å; Q746-T820 HydrophobicContact CG-CG2 3.98Å; Q746-T820 PolarHBondContact NE2-OG1 3.44Å; L785-T820 HydrophobicContact CD2-CG2 3.77Å; I788-T820 HydrophobicContact CD1-CG2 4.1Å; F816-T820 WeakPolarHBondContact O-CB 3.33Å; F816-T820 PolarHBondContact O-N 3.24Å; F816-T820 PolarHBondContact O-OG1 3.49Å; F817-T820 PolarHBondContact O-N 3.45Å; L818-T820 VanDerWaalsContact C-N 3.34Å; T820-S822 PolarHBondContact O-N 3.18Å; T820-I823 PolarHBondContact O-N 3.38Å; T820-I823 VanDerWaalsContact O-N 3.16Å; T820-V824 WeakPolarHBondContact O-CG2 3.33Å; T820-V824 PolarHBondContact O-N 2.88Å
821V97.9Very high96.5Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-64.6-32.7178.676.40000111L785 F817 L818 V824 L825 L874 L931L785-V821 HydrophobicContact CD1-CG2 4.21Å; L785-V821 HydrophobicContact CD2-CB 4.12Å; F817-V821 HydrophobicContact CE1-CG1 4.33Å; F817-V821 WeakPolarHBondContact O-CB 3.3Å; F817-V821 WeakPolarHBondContact O-CG1 3.48Å; F817-V821 PolarHBondContact O-N 3.09Å; L818-V821 WeakPolarHBondContact O-CG1 3.36Å; V821-V824 PolarHBondContact O-N 3.24Å; V821-L825 HydrophobicContact CG2-CD1 4.49Å; V821-L825 HydrophobicContact CG2-CG 4.47Å; V821-L825 WeakPolarHBondContact O-CB 3.37Å; V821-L825 WeakPolarHBondContact O-CG 3.38Å; V821-L825 PolarHBondContact O-N 3.33Å; V821-L874 HydrophobicContact CG1-CD2 3.93Å; V821-L874 HydrophobicContact CG2-CD2 3.87Å; V821-L874 HydrophobicContact CG2-CG 4.37Å; V821-L931 HydrophobicContact CG1-CD2 4.07Å
822S97.5Very high96.3Very high0 Ų06.2 Ų6.20%03%0.032CC..Hα-helixtrans-61.4-44.7173.7-60.10000111.7L818 E819 T820 L825 W826L818-S822 WeakPolarHBondContact O-CB 3.38Å; L818-S822 PolarHBondContact O-N 3.12Å; L818-S822 VanDerWaalsContact O-N 3.11Å; L818-S822 PolarHBondContact O-OG 3.4Å; E819-S822 WeakPolarHBondContact O-CB 3.08Å; E819-S822 PolarHBondContact O-N 2.92Å; T820-S822 PolarHBondContact O-N 3.18Å; S822-L825 PolarHBondContact O-N 2.87Å; S822-W826 VanDerWaalsContact O-CD2 3.28Å; S822-W826 PolarHBondContact O-N 3.38Å
823I97.5Very high95.9Very high0 Ų09.9 Ų9.90%05%0.048CC..Hα-helixtrans-64.7-41.2175.7-66.5166.8000111.7Y595 T666 L670 Q746 A749 L750 E819 T820 L825 W826 S827Y595-I823 HydrophobicContact CE1-CG1 4.37Å; T666-I823 HydrophobicContact CG2-CD1 3.73Å; L670-I823 HydrophobicContact CD1-CG1 4.36Å; L670-I823 HydrophobicContact CD2-CG1 4.33Å; L670-I823 HydrophobicContact CD2-CG2 4.29Å; Q746-I823 HydrophobicContact CB-CD1 4.38Å; Q746-I823 VanDerWaalsContact CD-CD1 3.44Å; Q746-I823 HydrophobicContact CG-CD1 3.7Å; A749-I823 HydrophobicContact CB-CG2 4.31Å; L750-I823 HydrophobicContact CD2-CG2 4.19Å; L750-I823 HydrophobicContact CG-CG2 4.24Å; E819-I823 PolarHBondContact O-N 3.32Å; T820-I823 PolarHBondContact O-N 3.38Å; T820-I823 VanDerWaalsContact O-N 3.16Å; I823-L825 VanDerWaalsContact C-N 3.33Å; I823-L825 PolarHBondContact O-N 3.38Å; I823-W826 HydrophobicContact CG1-CE3 4.09Å; I823-W826 HydrophobicContact CG1-CZ3 4.02Å; I823-W826 PolarHBondContact O-N 3.03Å; I823-S827 WeakPolarHBondContact O-CB 3.42Å; I823-S827 PolarHBondContact O-N 3.47Å; I823-S827 PolarHBondContact O-OG 2.91Å
824V97.3Very high95.5Very high2 Ų29.5 Ų9.51%0.0125%0.045CC..Hα-helixtrans-62.8-40.4175.41730000111A749 L781 L785 T820 V821 S827 A828 L870A749-V824 HydrophobicContact CB-CG2 3.82Å; L781-V824 HydrophobicContact CD1-CG1 4.48Å; L781-V824 HydrophobicContact CD2-CG2 4.39Å; L785-V824 HydrophobicContact CD1-CB 4.28Å; L785-V824 HydrophobicContact CD1-CG1 4.05Å; L785-V824 HydrophobicContact CD1-CG2 4.12Å; L785-V824 HydrophobicContact CD2-CG2 4.47Å; L785-V824 HydrophobicContact CG-CG2 4.5Å; T820-V824 WeakPolarHBondContact O-CG2 3.33Å; T820-V824 PolarHBondContact O-N 2.88Å; V821-V824 PolarHBondContact O-N 3.24Å; V824-S827 PolarHBondContact O-N 3.39Å; V824-A828 WeakPolarHBondContact O-CB 2.97Å; V824-A828 PolarHBondContact O-N 2.68Å; V824-L870 HydrophobicContact CG1-CD1 4.18Å; V824-L870 HydrophobicContact CG1-CD2 3.99Å
825L96.3Very high95.1Very high5 Ų59.4 Ų9.43%0.0265%0.045CC..Hα-helixtrans-66.1-42.1176.9-73.3171.7000112.3V821 S822 I823 S827 A828 S829 L870 L874 R934 I938 L941V821-L825 HydrophobicContact CG2-CD1 4.49Å; V821-L825 HydrophobicContact CG2-CG 4.47Å; V821-L825 WeakPolarHBondContact O-CB 3.37Å; V821-L825 WeakPolarHBondContact O-CG 3.38Å; V821-L825 PolarHBondContact O-N 3.33Å; S822-L825 PolarHBondContact O-N 2.87Å; I823-L825 VanDerWaalsContact C-N 3.33Å; I823-L825 PolarHBondContact O-N 3.38Å; L825-S827 VanDerWaalsContact C-N 3.33Å; L825-A828 PolarHBondContact O-N 3.3Å; L825-S829 WeakPolarHBondContact O-CB 3.32Å; L825-S829 PolarHBondContact O-N 2.85Å; L825-L870 HydrophobicContact CD2-CD1 4.22Å; L825-L874 HydrophobicContact CD1-CD1 4.27Å; L825-R934 HydrophobicContact CD1-CB 4.12Å; L825-I938 HydrophobicContact CD2-CD1 4.02Å; L825-I938 HydrophobicContact CD2-CG1 3.61Å; L825-L941 HydrophobicContact CD2-CD1 4.11Å
826W95.5Very high94.7Very high4 Ų414.6 Ų14.62%0.0156%0.064CC..Hα-helixtrans-63.8-40.2173.8-67.2-38.4000112.1L594 Y595 G598 L604 L670 S822 I823 S829 Y830L594-W826 HydrophobicContact CB-CH2 3.73Å; L594-W826 HydrophobicContact CB-CZ2 4.21Å; L594-W826 HydrophobicContact CB-CZ3 4.45Å; L594-W826 VanDerWaalsContact O-CZ2 3.23Å; L594-W826 WeakPolarHBondContact O-CZ2 3.43Å; Y595-W826 AromaticContact CD1-CH2 3.52Å; Y595-W826 HydrophobicContact CD1-CH2 3.52Å; Y595-W826 AromaticContact CD1-CZ3 3.99Å; Y595-W826 HydrophobicContact CD1-CZ3 3.99Å; Y595-W826 AromaticContact CE1-CH2 3.87Å; Y595-W826 HydrophobicContact CE1-CH2 3.87Å; Y595-W826 AromaticContact CE1-CZ3 3.84Å; Y595-W826 HydrophobicContact CE1-CZ3 3.84Å; Y595-W826 HydrophobicContact CG-CH2 4.4Å; G598-W826 PolarHBondContact O-NE1 2.9Å; L604-W826 HydrophobicContact CD1-CD2 4.39Å; L604-W826 HydrophobicContact CD2-CB 3.95Å; L604-W826 HydrophobicContact CD2-CD2 4.46Å; L604-W826 HydrophobicContact CD2-CG 3.91Å; L670-W826 HydrophobicContact CD1-CE3 3.99Å; L670-W826 HydrophobicContact CD1-CZ3 3.74Å; L670-W826 HydrophobicContact CD2-CE3 3.71Å; L670-W826 HydrophobicContact CD2-CZ3 4.33Å; L670-W826 HydrophobicContact CG-CE3 4.5Å; S822-W826 VanDerWaalsContact O-CD2 3.28Å; S822-W826 PolarHBondContact O-N 3.38Å; I823-W826 HydrophobicContact CG1-CE3 4.09Å; I823-W826 HydrophobicContact CG1-CZ3 4.02Å; I823-W826 PolarHBondContact O-N 3.03Å; W826-S829 WeakPolarHBondContact O-CB 3.37Å; W826-S829 PolarHBondContact O-N 3.39Å; W826-Y830 PolarHBondContact O-N 2.97Å
827S94.1Very high94.3Very high3 Ų318.3 Ų18.32%0.0219%0.089CC..Hα-helixtrans-63.2-42.5173.9-55.30000110.9A749 I823 V824 L825 S829 Y830 C831A749-S827 WeakPolarHBondContact O-CB 3.49Å; A749-S827 PolarHBondContact O-OG 3.45Å; I823-S827 WeakPolarHBondContact O-CB 3.42Å; I823-S827 PolarHBondContact O-N 3.47Å; I823-S827 PolarHBondContact O-OG 2.91Å; V824-S827 PolarHBondContact O-N 3.39Å; L825-S827 VanDerWaalsContact C-N 3.33Å; S827-S829 VanDerWaalsContact C-N 3.35Å; S827-S829 PolarHBondContact O-N 2.97Å; S827-Y830 WeakPolarHBondContact O-CB 3.36Å; S827-Y830 PolarHBondContact O-N 3.21Å; S827-C831 PolarHBondContact O-N 2.92Å; S827-C831 PolarHBondContact O-SG 2.75Å
828A93.9Very high93.7Very high1 Ų119.7 Ų19.71%0.00810%0.096CC..Hα-helixtrans-64.9-35174.600000113V824 L825 C831 A832 F863 L866 L941V824-A828 WeakPolarHBondContact O-CB 2.97Å; V824-A828 PolarHBondContact O-N 2.68Å; L825-A828 PolarHBondContact O-N 3.3Å; A828-C831 VanDerWaalsContact O-CB 3.31Å; A828-C831 WeakPolarHBondContact O-CB 3.43Å; A828-C831 PolarHBondContact O-N 3.42Å; A828-A832 PolarHBondContact O-N 3.43Å; A828-F863 HydrophobicContact CB-CE2 4.13Å; A828-F863 WeakPolarHBondContact O-CZ 3.37Å; A828-L866 HydrophobicContact CB-CD2 4.48Å; A828-L941 HydrophobicContact CB-CD1 3.98Å
829S92.8Very high93.2Very high22 Ų2220.7 Ų20.715%0.15410%0.1CC..Hα-helixtrans-61.7-44171.9-172.90000111L825 W826 S827 A832 K833L825-S829 WeakPolarHBondContact O-CB 3.32Å; L825-S829 PolarHBondContact O-N 2.85Å; W826-S829 WeakPolarHBondContact O-CB 3.37Å; W826-S829 PolarHBondContact O-N 3.39Å; S827-S829 VanDerWaalsContact C-N 3.35Å; S827-S829 PolarHBondContact O-N 2.97Å; S829-A832 PolarHBondContact O-N 3.45Å; S829-K833 WeakPolarHBondContact O-CG 3.35Å; S829-K833 PolarHBondContact O-N 3.45Å; S829-K833 VanDerWaalsContact O-N 3.07Å
830Y91.3Very high92.6Very high38 Ų3823.3 Ų23.315%0.14912%0.116CC..Hα-helixtrans-61.5-43.9171.9-176.4-105.2000112.2L673 L756 Q757 W826 S827 A832 K833 I834L673-Y830 WeakPolarHBondContact O-CD2 3.4Å; L756-Y830 HydrophobicContact CB-CE1 4.39Å; L756-Y830 HydrophobicContact CD1-CD1 4.05Å; L756-Y830 HydrophobicContact CD1-CE1 4.42Å; Q757-Y830 WeakPolarHBondContact CG-OH 3.49Å; Q757-Y830 PolarHBondContact NE2-OH 3.22Å; W826-Y830 PolarHBondContact O-N 2.97Å; S827-Y830 WeakPolarHBondContact O-CB 3.36Å; S827-Y830 PolarHBondContact O-N 3.21Å; Y830-A832 VanDerWaalsContact C-N 3.33Å; Y830-A832 PolarHBondContact O-N 2.89Å; Y830-K833 WeakPolarHBondContact O-CB 3.44Å; Y830-K833 PolarHBondContact O-N 3.5Å; Y830-I834 HydrophobicContact CD1-CD1 4.03Å; Y830-I834 HydrophobicContact CE1-CD1 3.41Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.41Å; Y830-I834 HydrophobicContact CE2-CD1 4.21Å; Y830-I834 PolarHBondContact O-N 3.09Å
831C92.6Very high92Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-54.4-48.4172.6-53.30000112L752 L756 S827 A828 K833 I834 L835 F863L752-C831 VanDerWaalsContact CD2-SG 3.6Å; L756-C831 HydrophobicContact CD1-CB 3.99Å; L756-C831 WeakPolarHBondContact CD1-SG 3.42Å; L756-C831 HydrophobicContact CD2-CB 4.45Å; S827-C831 PolarHBondContact O-N 2.92Å; S827-C831 PolarHBondContact O-SG 2.75Å; A828-C831 VanDerWaalsContact O-CB 3.31Å; A828-C831 WeakPolarHBondContact O-CB 3.43Å; A828-C831 PolarHBondContact O-N 3.42Å; C831-K833 VanDerWaalsContact C-N 3.29Å; C831-K833 PolarHBondContact O-N 3.06Å; C831-I834 PolarHBondContact O-N 2.68Å; C831-L835 WeakPolarHBondContact O-CB 3.43Å; C831-L835 WeakPolarHBondContact O-CG 3.46Å; C831-L835 PolarHBondContact O-N 3.31Å; C831-F863 HydrophobicContact CB-CD2 3.9Å; C831-F863 HydrophobicContact CB-CE2 3.46Å; C831-F863 VanDerWaalsContact CB-CE2 3.46Å; C831-F863 HydrophobicContact CB-CZ 4.18Å
832A91.8Very high91.3Very high4 Ų427 Ų273%0.03314%0.141CC..Hα-helixtrans-62.2-38.2-178.300000111.6A828 S829 Y830 I834 R836 F863 L941 I943A828-A832 PolarHBondContact O-N 3.43Å; S829-A832 PolarHBondContact O-N 3.45Å; Y830-A832 VanDerWaalsContact C-N 3.33Å; Y830-A832 PolarHBondContact O-N 2.89Å; A832-I834 VanDerWaalsContact C-N 3.31Å; A832-I834 PolarHBondContact O-N 3.34Å; A832-R836 WeakPolarHBondContact O-CB 3.46Å; A832-R836 PolarHBondContact O-N 3.41Å; A832-R836 VanDerWaalsContact O-N 3.08Å; A832-F863 HydrophobicContact CB-CE1 4.1Å; A832-F863 HydrophobicContact CB-CZ 3.87Å; A832-L941 HydrophobicContact CB-CD2 4.46Å; A832-I943 HydrophobicContact CB-CG2 3.93Å
833K89.8Confident90.5Very high104 Ų10432.6 Ų32.645%0.45217%0.167SC..Hα-helixtrans-61.5-35.9176.1-72.5177.2-176.2-179.20112.5S829 Y830 C831 P837S829-K833 WeakPolarHBondContact O-CG 3.35Å; S829-K833 PolarHBondContact O-N 3.45Å; S829-K833 VanDerWaalsContact O-N 3.07Å; Y830-K833 WeakPolarHBondContact O-CB 3.44Å; Y830-K833 PolarHBondContact O-N 3.5Å; C831-K833 VanDerWaalsContact C-N 3.29Å; C831-K833 PolarHBondContact O-N 3.06Å; K833-P837 WeakPolarHBondContact O-CD 3.27Å; K833-P837 WeakPolarHBondContact O-CG 3.49Å
834I89.5Confident89.8Confident9 Ų939.4 Ų39.45%0.04620%0.197CC..Hα-helixtrans-82.3-46.6177.8-67.3173.4000111.9L756 E760 Y830 C831 A832 R836 P837 L838L756-I834 HydrophobicContact CB-CD1 3.8Å; E760-I834 HydrophobicContact CB-CG2 3.99Å; E760-I834 HydrophobicContact CG-CG2 4.39Å; Y830-I834 HydrophobicContact CD1-CD1 4.03Å; Y830-I834 HydrophobicContact CE1-CD1 3.41Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.41Å; Y830-I834 HydrophobicContact CE2-CD1 4.21Å; Y830-I834 PolarHBondContact O-N 3.09Å; C831-I834 PolarHBondContact O-N 2.68Å; A832-I834 VanDerWaalsContact C-N 3.31Å; A832-I834 PolarHBondContact O-N 3.34Å; I834-R836 PolarHBondContact O-N 2.95Å; I834-P837 WeakPolarHBondContact O-CD 3.41Å; I834-L838 HydrophobicContact CG2-CD1 3.74Å; I834-L838 WeakPolarHBondContact O-CG 3.41Å; I834-L838 PolarHBondContact O-N 2.87Å
835L90.4Very high88.9Confident0 Ų045.5 Ų45.50%022%0.223CC..Hα-helixtrans-70.7-33.5-173.6-68.4178.6000113.1L759 C831 L838 K839 V859 F863 I943L759-L835 HydrophobicContact CD2-CD2 3.81Å; C831-L835 WeakPolarHBondContact O-CB 3.43Å; C831-L835 WeakPolarHBondContact O-CG 3.46Å; C831-L835 PolarHBondContact O-N 3.31Å; L835-L838 PolarHBondContact O-N 3.16Å; L835-K839 VanDerWaalsContact O-CB 3.28Å; L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.99Å; L835-V859 HydrophobicContact CD1-CG2 4.26Å; L835-V859 HydrophobicContact CD2-CG1 3.93Å; L835-V859 HydrophobicContact CD2-CG2 4.08Å; L835-F863 HydrophobicContact CD1-CB 3.9Å; L835-F863 HydrophobicContact CD1-CD1 4.42Å; L835-F863 HydrophobicContact CD1-CD2 4.25Å; L835-F863 HydrophobicContact CD1-CG 3.93Å; L835-I943 HydrophobicContact CB-CD1 3.8Å; L835-I943 HydrophobicContact CD1-CD1 4.05Å
836R89.8Confident87.7Confident108 Ų10848 Ų4841%0.40823%0.234SC..Hα-helixtrans-63.4-47.9-177.4-176.6-175.5-75.3150.9-3.5112.3A832 I834 T840 N940 K942 I943A832-R836 WeakPolarHBondContact O-CB 3.46Å; A832-R836 PolarHBondContact O-N 3.41Å; A832-R836 VanDerWaalsContact O-N 3.08Å; I834-R836 PolarHBondContact O-N 2.95Å; R836-T840 WeakPolarHBondContact O-CB 3.42Å; R836-T840 PolarHBondContact O-N 3.22Å; R836-T840 VanDerWaalsContact O-N 3.16Å; R836-T840 PolarHBondContact O-OG1 2.96Å; R836-N940 PolarHBondContact NH2-O 2.77Å; R836-K942 PolarHBondContact NH2-O 3.47Å; R836-I943 HydrophobicContact CB-CG2 4.04Å
837P88.9Confident86.6Confident79 Ų7956.9 Ų56.951%0.51327%0.273SS..Hα-helixtrans-60.8-45.2170.1-24.433.3000113.6K833 I834 K839 T840 S841K833-P837 WeakPolarHBondContact O-CD 3.27Å; K833-P837 WeakPolarHBondContact O-CG 3.49Å; I834-P837 WeakPolarHBondContact O-CD 3.41Å; P837-K839 PolarHBondContact O-N 2.97Å; P837-T840 PolarHBondContact O-N 3.11Å; P837-S841 WeakPolarHBondContact O-CB 3.26Å; P837-S841 PolarHBondContact O-N 3.2Å
838L86.5Confident85.5Confident29 Ų2965.7 Ų65.715%0.15231%0.31CS..Hα-helixtrans-61.8-45.3-178.6-71175.4000112.2L764 I834 L835 T840 S841 L842L764-L838 HydrophobicContact CD1-CB 3.72Å; L764-L838 HydrophobicContact CG-CB 4.02Å; I834-L838 HydrophobicContact CG2-CD1 3.74Å; I834-L838 WeakPolarHBondContact O-CG 3.41Å; I834-L838 PolarHBondContact O-N 2.87Å; L835-L838 PolarHBondContact O-N 3.16Å; L838-T840 VanDerWaalsContact C-N 3.34Å; L838-T840 PolarHBondContact O-N 3.04Å; L838-S841 PolarHBondContact O-N 2.89Å; L838-L842 WeakPolarHBondContact O-CB 3.02Å; L838-L842 PolarHBondContact O-N 2.99Å
839K87.1Confident84.3Confident25 Ų2573.3 Ų73.311%0.10934%0.343CS..Hα-helixtrans-58-46.6173.9-177.8-176.4-179.6-178.20111.1L835 P837 L842 Q843 V860 I943L835-K839 VanDerWaalsContact O-CB 3.28Å; L835-K839 WeakPolarHBondContact O-CB 3.42Å; L835-K839 PolarHBondContact O-N 2.99Å; P837-K839 PolarHBondContact O-N 2.97Å; K839-L842 PolarHBondContact O-N 3.29Å; K839-Q843 WeakPolarHBondContact O-CB 3.5Å; K839-Q843 WeakPolarHBondContact O-CG 3.3Å; K839-Q843 PolarHBondContact O-N 3.23Å; K839-V860 HydrophobicContact CD-CG1 3.91Å; K839-I943 PolarHBondContact NZ-O 3Å; K839-I943 PolarHBondContact NZ-OXT 3.39Å
840T86.4Confident82.8Confident56 Ų5681.6 Ų81.634%0.34438%0.377SS..Hα-helixtrans-64.8-40.8179.5-55.20000111.8R836 P837 L838 K844R836-T840 WeakPolarHBondContact O-CB 3.42Å; R836-T840 PolarHBondContact O-N 3.22Å; R836-T840 VanDerWaalsContact O-N 3.16Å; R836-T840 PolarHBondContact O-OG1 2.96Å; P837-T840 PolarHBondContact O-N 3.11Å; L838-T840 VanDerWaalsContact C-N 3.34Å; L838-T840 PolarHBondContact O-N 3.04Å; T840-K844 HydrophobicContact CG2-CD 4.38Å; T840-K844 WeakPolarHBondContact O-CB 3.3Å; T840-K844 WeakPolarHBondContact O-CG 3.42Å; T840-K844 PolarHBondContact O-N 3.22Å
841S85.1Confident81.2Confident64 Ų6484.4 Ų84.445%0.44839%0.394SS..Hα-helixtrans-63.8-45.3177.1-172.80000111.7P837 L838 K844 K845P837-S841 WeakPolarHBondContact O-CB 3.26Å; P837-S841 PolarHBondContact O-N 3.2Å; L838-S841 PolarHBondContact O-N 2.89Å; S841-K844 PolarHBondContact O-N 3.05Å; S841-K845 PolarHBondContact O-N 3.4Å
842L82.6Confident79.1Confident15 Ų1589.3 Ų89.38%0.07944%0.435CS..Hα-helixtrans-61.4-46.8176.6-17667.7000111.8L764 D765 L838 K839 K844 K845 K846 P857L764-L842 HydrophobicContact CB-CD2 4.27Å; L764-L842 HydrophobicContact CD1-CB 4.33Å; L764-L842 HydrophobicContact CD1-CD2 4.05Å; D765-L842 WeakPolarHBondContact OD1-CD1 3.47Å; D765-L842 WeakPolarHBondContact OD2-CD1 3.32Å; L838-L842 WeakPolarHBondContact O-CB 3.02Å; L838-L842 PolarHBondContact O-N 2.99Å; K839-L842 PolarHBondContact O-N 3.29Å; L842-K844 VanDerWaalsContact C-N 3.31Å; L842-K844 PolarHBondContact O-N 3.44Å; L842-K845 PolarHBondContact O-N 3.44Å; L842-K846 HydrophobicContact CD1-CD 4.16Å; L842-K846 HydrophobicContact CD1-CG 4.45Å; L842-K846 HydrophobicContact CG-CD 4.38Å; L842-K846 PolarHBondContact O-N 2.97Å; L842-P857 HydrophobicContact CD2-CG 3.39Å
843Q81.9Confident77.2Confident117 Ų11796.9 Ų96.955%0.54748%0.475SS..Hα-helixtrans-59.4-41.8176.1-75178.4-9.500111.6K839 K847K839-Q843 WeakPolarHBondContact O-CB 3.5Å; K839-Q843 WeakPolarHBondContact O-CG 3.3Å; K839-Q843 PolarHBondContact O-N 3.23Å; Q843-K847 VanDerWaalsContact O-CB 3.27Å; Q843-K847 WeakPolarHBondContact O-CB 3.47Å; Q843-K847 PolarHBondContact O-N 2.87Å
844K81.6Confident75.5Confident142 Ų14295.6 Ų95.662%0.61748%0.476SS*.Hα-helixtrans-65.8-43.3175.3-74.5175.7-179.4177.50112.6T840 S841 L842 K848T840-K844 HydrophobicContact CG2-CD 4.38Å; T840-K844 WeakPolarHBondContact O-CB 3.3Å; T840-K844 WeakPolarHBondContact O-CG 3.42Å; T840-K844 PolarHBondContact O-N 3.22Å; S841-K844 PolarHBondContact O-N 3.05Å; L842-K844 VanDerWaalsContact C-N 3.31Å; L842-K844 PolarHBondContact O-N 3.44Å; K844-K848 PolarHBondContact O-N 3.35Å
845K78.3Confident74.4Confident131 Ų13199.5 Ų99.557%0.5751%0.509SS*.Hα-helixtrans-60.8-44.8176.6-98-176.8174.8179.50111.6S841 L842 K848 K849S841-K845 PolarHBondContact O-N 3.4Å; L842-K845 PolarHBondContact O-N 3.44Å; K845-K848 WeakPolarHBondContact O-CB 3.41Å; K845-K848 PolarHBondContact O-N 2.93Å; K845-K849 PolarHBondContact O-N 3.41Å
846K72.8Confident73.6Confident58 Ų58102.8 Ų102.825%0.25253%0.525SS..Hα-helixtrans-78.2-32-176.7-68.1-171.9175.4175.80113.2D765 L842 K848 K849 K850 T854D765-K846 WeakPolarHBondContact OD1-CE 3.35Å; D765-K846 IonicContact OD1-NZ 3.28Å; D765-K846 PolarHBondContact OD1-NZ 3.29Å; L842-K846 HydrophobicContact CD1-CD 4.16Å; L842-K846 HydrophobicContact CD1-CG 4.45Å; L842-K846 HydrophobicContact CG-CD 4.38Å; L842-K846 PolarHBondContact O-N 2.97Å; K846-K848 PolarHBondContact O-N 2.85Å; K846-K849 PolarHBondContact O-N 3.48Å; K846-K850 PolarHBondContact O-N 2.97Å; K846-T854 HydrophobicContact CD-CG2 3.67Å
847K72.1Confident73.3Confident190 Ų19098.6 Ų98.683%0.82651%0.512SS*.Hα-helixtrans-59.9-31.9168.5-166.5173.8-176.1176.70112.4Q843Q843-K847 VanDerWaalsContact O-CB 3.27Å; Q843-K847 WeakPolarHBondContact O-CB 3.47Å; Q843-K847 PolarHBondContact O-N 2.87Å
848K70.3Confident73.2Confident187 Ų18799.1 Ų99.181%0.81351%0.51SS*.Hα-helixtrans-71.9-25.2172-74.3-178.1176.3-176.20113.7K844 K845 K846K844-K848 PolarHBondContact O-N 3.35Å; K845-K848 WeakPolarHBondContact O-CB 3.41Å; K845-K848 PolarHBondContact O-N 2.93Å; K846-K848 PolarHBondContact O-N 2.85Å
849K69.3Low73.3Confident161 Ų16197.7 Ų97.770%0.750%0.503SS*.Hα-helixtrans-90.7-1.7-178.8-74.2-172.4175.4-176.50115.1K845 K846 D851K845-K849 PolarHBondContact O-N 3.41Å; K846-K849 PolarHBondContact O-N 3.48Å; K849-D851 PolarHBondContact O-N 3.32Å
850K61.6Low73.5Confident197 Ų19796.5 Ų96.586%0.85750%0.498SS*.THydrogen-bonded Turntrans58.725.2-175.6-74.7-175175.8179.20114.8K846 A852K846-K850 PolarHBondContact O-N 2.97Å; K850-A852 PolarHBondContact O-N 3.47Å
851D58.1Low73.6Confident96 Ų9696.1 Ų96.151%0.51350%0.497SS..  trans-78.1108.4170.5-74.9-37.8000110K849K849-D851 PolarHBondContact O-N 3.32Å
852A47.1Very low74Confident103 Ų10393.4 Ų93.485%0.85148%0.479SS*.  trans-84.1-14.9-172.900000114.7K850K850-A852 PolarHBondContact O-N 3.47Å
853N51.7Low74.6Confident164 Ų16492.8 Ų92.888%0.87748%0.476SS*.  trans-117.7107.2177.3-101.9-8.6000109.4
854T55.2Low75.1Confident76 Ų7691.1 Ų91.147%0.46647%0.468SS..  trans-121.3111.4176.2-39.30000109.8K846K846-T854 HydrophobicContact CD-CG2 3.67Å
855A65Low75.7Confident91 Ų9189.5 Ų89.575%0.75246%0.463SS*.PPolyproline II helixtrans-62.4137165.300000109.1
856M74Confident76.5Confident69 Ų6983.5 Ų83.534%0.3444%0.437SS..PPolyproline II helixtrans-66.1138.1178.6-168.6149.2100.600109.6L858 V860 Q864M856-L858 PolarHBondContact O-N 3.2Å; M856-V860 HydrophobicContact CE-CB 4.3Å; M856-V860 HydrophobicContact CE-CG1 3.59Å; M856-V860 HydrophobicContact CG-CB 4.06Å; M856-V860 HydrophobicContact CG-CG1 3.98Å; M856-V860 HydrophobicContact SD-CG1 3.9Å; M856-Q864 HydrophobicContact CE-CG 4.4Å
857P83.3Confident77.6Confident21 Ų2181.4 Ų81.414%0.13643%0.429CS..PPolyproline II helixtrans-55.6139.1-179.2-25.935.1000111.2L764 L842 V859 V860 C861L764-P857 HydrophobicContact CD1-CB 4.48Å; L764-P857 HydrophobicContact CD1-CG 4.14Å; L764-P857 HydrophobicContact CD2-CB 4.47Å; L842-P857 HydrophobicContact CD2-CG 3.39Å; P857-V859 HydrophobicContact CB-CG1 4.44Å; P857-V859 PolarHBondContact O-N 2.9Å; P857-V860 HydrophobicContact CB-CG2 4.04Å; P857-V860 HydrophobicContact CG-CG2 4.26Å; P857-V860 WeakPolarHBondContact O-CB 3.48Å; P857-V860 PolarHBondContact O-N 3.42Å; P857-C861 PolarHBondContact O-N 3.15Å
858L87.5Confident78.6Confident89 Ų8973.9 Ų73.947%0.46641%0.405SS..Hα-helixtrans-53.8-43.1-173.5-177118.8000111.8Q771 I772 C775 M856 V860 C861 G862Q771-L858 HydrophobicContact CB-CD2 4.2Å; I772-L858 HydrophobicContact CG1-CD2 3.9Å; C775-L858 HydrophobicContact CB-CD2 4.12Å; C775-L858 VanDerWaalsContact SG-CD2 3.56Å; M856-L858 PolarHBondContact O-N 3.2Å; L858-V860 VanDerWaalsContact C-N 3.31Å; L858-V860 PolarHBondContact O-N 3.26Å; L858-C861 PolarHBondContact O-N 3Å; L858-G862 PolarHBondContact O-N 3.33Å
859V89.4Confident79.9Confident0 Ų068.1 Ų68.10%038%0.383CS..Hα-helixtrans-63.7-31.9178.267.80000113.6L759 L764 Q771 I774 F778 L835 P857 F863L759-V859 HydrophobicContact CD2-CG1 4.23Å; L759-V859 HydrophobicContact CD2-CG2 4.17Å; L764-V859 HydrophobicContact CD2-CG1 3.67Å; Q771-V859 HydrophobicContact CB-CB 4.08Å; Q771-V859 HydrophobicContact CG-CB 3.9Å; Q771-V859 HydrophobicContact CG-CG1 3.91Å; I774-V859 HydrophobicContact CB-CG2 4.25Å; I774-V859 HydrophobicContact CG2-CG2 3.64Å; F778-V859 HydrophobicContact CE2-CG2 4.2Å; F778-V859 HydrophobicContact CZ-CG2 4.47Å; L835-V859 HydrophobicContact CD1-CG2 4.26Å; L835-V859 HydrophobicContact CD2-CG1 3.93Å; L835-V859 HydrophobicContact CD2-CG2 4.08Å; P857-V859 HydrophobicContact CB-CG1 4.44Å; P857-V859 PolarHBondContact O-N 2.9Å; V859-F863 VanDerWaalsContact O-CB 3.28Å; V859-F863 WeakPolarHBondContact O-CB 3.05Å; V859-F863 PolarHBondContact O-N 3.45Å
860V89.6Confident81.2Confident0 Ų060.5 Ų60.50%035%0.35CS..Hα-helixtrans-74-40.4177.9-178.90000110K839 M856 P857 L858 F863 Q864 I943K839-V860 HydrophobicContact CD-CG1 3.91Å; M856-V860 HydrophobicContact CE-CB 4.3Å; M856-V860 HydrophobicContact CE-CG1 3.59Å; M856-V860 HydrophobicContact CG-CB 4.06Å; M856-V860 HydrophobicContact CG-CG1 3.98Å; M856-V860 HydrophobicContact SD-CG1 3.9Å; P857-V860 HydrophobicContact CB-CG2 4.04Å; P857-V860 HydrophobicContact CG-CG2 4.26Å; P857-V860 WeakPolarHBondContact O-CB 3.48Å; P857-V860 PolarHBondContact O-N 3.42Å; L858-V860 VanDerWaalsContact C-N 3.31Å; L858-V860 PolarHBondContact O-N 3.26Å; V860-F863 PolarHBondContact O-N 3.36Å; V860-Q864 WeakPolarHBondContact O-CG 3.49Å; V860-Q864 PolarHBondContact O-N 2.91Å; V860-Q864 VanDerWaalsContact O-N 3.08Å; V860-I943 HydrophobicContact CG1-CD1 3.94Å; V860-I943 HydrophobicContact CG1-CG1 4.36Å
861C90.3Very high82.8Confident47 Ų4754 Ų5432%0.31832%0.322SS..Hα-helixtrans-62.3-49.1172.3-640000111.1P857 L858 F863 Q864 E865P857-C861 PolarHBondContact O-N 3.15Å; L858-C861 PolarHBondContact O-N 3Å; C861-F863 VanDerWaalsContact C-N 3.27Å; C861-F863 PolarHBondContact O-N 3.31Å; C861-Q864 WeakPolarHBondContact O-CB 3.4Å; C861-Q864 PolarHBondContact O-N 2.89Å; C861-Q864 VanDerWaalsContact O-N 3.1Å; C861-E865 PolarHBondContact O-N 3Å
862G92.3Very high84.6Confident8 Ų853.8 Ų53.88%0.08232%0.322CS..Hα-helixtrans-61-34.6178.200000113L858 E865 L866L858-G862 PolarHBondContact O-N 3.33Å; G862-E865 PolarHBondContact O-N 3.24Å; G862-L866 PolarHBondContact O-N 3.49Å
863F94.8Very high87Confident1 Ų149 Ų490%0.00428%0.282CS..Hα-helixtrans-70.1-37.2174.6-175.1-101.2000112.6F778 A828 C831 A832 L835 V859 V860 C861 L866 T867 L941 I943F778-F863 HydrophobicContact CE1-CD2 4.39Å; F778-F863 HydrophobicContact CE2-CB 3.8Å; F778-F863 HydrophobicContact CE2-CD2 4.24Å; F778-F863 HydrophobicContact CZ-CB 4.21Å; F778-F863 AromaticContact CZ-CD2 3.87Å; F778-F863 HydrophobicContact CZ-CD2 3.87Å; A828-F863 HydrophobicContact CB-CE2 4.13Å; A828-F863 WeakPolarHBondContact O-CZ 3.37Å; C831-F863 HydrophobicContact CB-CD2 3.9Å; C831-F863 HydrophobicContact CB-CE2 3.46Å; C831-F863 VanDerWaalsContact CB-CE2 3.46Å; C831-F863 HydrophobicContact CB-CZ 4.18Å; A832-F863 HydrophobicContact CB-CE1 4.1Å; A832-F863 HydrophobicContact CB-CZ 3.87Å; L835-F863 HydrophobicContact CD1-CB 3.9Å; L835-F863 HydrophobicContact CD1-CD1 4.42Å; L835-F863 HydrophobicContact CD1-CD2 4.25Å; L835-F863 HydrophobicContact CD1-CG 3.93Å; V859-F863 VanDerWaalsContact O-CB 3.28Å; V859-F863 WeakPolarHBondContact O-CB 3.05Å; V859-F863 PolarHBondContact O-N 3.45Å; V860-F863 PolarHBondContact O-N 3.36Å; C861-F863 VanDerWaalsContact C-N 3.27Å; C861-F863 PolarHBondContact O-N 3.31Å; F863-L866 HydrophobicContact CD2-CD2 4.09Å; F863-L866 HydrophobicContact CE2-CD2 4.23Å; F863-L866 WeakPolarHBondContact O-CB 3.1Å; F863-L866 PolarHBondContact O-N 3.22Å; F863-T867 HydrophobicContact CD1-CG2 4.26Å; F863-T867 HydrophobicContact CE1-CG2 3.81Å; F863-T867 HydrophobicContact CE2-CG2 4.4Å; F863-T867 HydrophobicContact CZ-CG2 3.88Å; F863-T867 WeakPolarHBondContact O-CG2 3.48Å; F863-T867 PolarHBondContact O-N 2.84Å; F863-T867 PolarHBondContact O-OG1 3.38Å; F863-L941 VanDerWaalsContact CE1-O 3.32Å; F863-L941 WeakPolarHBondContact CE1-O 3.35Å; F863-L941 HydrophobicContact CZ-CB 4.44Å; F863-I943 HydrophobicContact CB-CD1 4.38Å; F863-I943 HydrophobicContact CD1-CD1 3.35Å; F863-I943 HydrophobicContact CD1-CG1 3.67Å; F863-I943 HydrophobicContact CE1-CD1 3.94Å; F863-I943 HydrophobicContact CE1-CG1 4.02Å; F863-I943 HydrophobicContact CE1-CG2 4.2Å; F863-I943 HydrophobicContact CG-CD1 4.15Å
864Q93.3Very high89.1Confident83 Ų8341.2 Ų41.239%0.38824%0.24SC..Hα-helixtrans-63.2-42.7172.8-73-179-14.400111.4M856 V860 C861 T867 G868 I943M856-Q864 HydrophobicContact CE-CG 4.4Å; V860-Q864 WeakPolarHBondContact O-CG 3.49Å; V860-Q864 PolarHBondContact O-N 2.91Å; V860-Q864 VanDerWaalsContact O-N 3.08Å; C861-Q864 WeakPolarHBondContact O-CB 3.4Å; C861-Q864 PolarHBondContact O-N 2.89Å; C861-Q864 VanDerWaalsContact O-N 3.1Å; Q864-T867 PolarHBondContact O-N 3.49Å; Q864-T867 PolarHBondContact O-OG1 3.2Å; Q864-G868 PolarHBondContact O-N 3.16Å; Q864-I943 PolarHBondContact NE2-O 3Å
865E94.2Very high91Very high108 Ų10840.3 Ų40.351%0.50524%0.235SC..Hα-helixtrans-59.2-45.6172.3-70.8176.8-171.600111.7C861 G862 T867 G868 N869C861-E865 PolarHBondContact O-N 3Å; G862-E865 PolarHBondContact O-N 3.24Å; E865-T867 PolarHBondContact O-N 2.91Å; E865-G868 PolarHBondContact O-N 3.42Å; E865-N869 WeakPolarHBondContact O-CB 3.43Å; E865-N869 VanDerWaalsContact O-CG 3.23Å; E865-N869 PolarHBondContact O-N 3.46Å; E865-N869 PolarHBondContact O-ND2 2.91Å
866L95.3Very high92.5Very high4 Ų439.6 Ų39.62%0.02122%0.215CC..Hα-helixtrans-54.5-52.1174.9175.866.9000111.2F778 V782 A828 G862 F863 G868 N869 L870F778-L866 HydrophobicContact CB-CB 4.2Å; F778-L866 HydrophobicContact CB-CD1 4.3Å; F778-L866 HydrophobicContact CB-CD2 4.35Å; F778-L866 HydrophobicContact CD1-CD2 3.63Å; F778-L866 HydrophobicContact CE1-CD2 3.98Å; F778-L866 HydrophobicContact CG-CB 4.3Å; F778-L866 HydrophobicContact CG-CD2 3.97Å; V782-L866 HydrophobicContact CG2-CD1 3.64Å; A828-L866 HydrophobicContact CB-CD2 4.48Å; G862-L866 PolarHBondContact O-N 3.49Å; F863-L866 HydrophobicContact CD2-CD2 4.09Å; F863-L866 HydrophobicContact CE2-CD2 4.23Å; F863-L866 WeakPolarHBondContact O-CB 3.1Å; F863-L866 PolarHBondContact O-N 3.22Å; L866-G868 VanDerWaalsContact C-N 3.3Å; L866-G868 PolarHBondContact O-N 3.17Å; L866-N869 PolarHBondContact O-N 3.47Å; L866-L870 HydrophobicContact CD1-CD1 3.95Å; L866-L870 HydrophobicContact CD1-CD2 4.45Å; L866-L870 HydrophobicContact CD1-CG 3.98Å; L866-L870 HydrophobicContact CD2-CD1 4.47Å; L866-L870 HydrophobicContact CG-CD1 3.87Å; L866-L870 HydrophobicContact CG-CG 4.27Å; L866-L870 WeakPolarHBondContact O-CB 3.26Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.43Å; L866-L870 PolarHBondContact O-N 3.33Å
867T95Very high93.6Very high15 Ų1536.3 Ų36.39%0.09220%0.199CC..Hα-helixtrans-63-36.1-177.8580000112.9F863 Q864 E865 Q871 L941F863-T867 HydrophobicContact CD1-CG2 4.26Å; F863-T867 HydrophobicContact CE1-CG2 3.81Å; F863-T867 HydrophobicContact CE2-CG2 4.4Å; F863-T867 HydrophobicContact CZ-CG2 3.88Å; F863-T867 WeakPolarHBondContact O-CG2 3.48Å; F863-T867 PolarHBondContact O-N 2.84Å; F863-T867 PolarHBondContact O-OG1 3.38Å; Q864-T867 PolarHBondContact O-N 3.49Å; Q864-T867 PolarHBondContact O-OG1 3.2Å; E865-T867 PolarHBondContact O-N 2.91Å; T867-Q871 PolarHBondContact O-N 3.05Å; T867-Q871 VanDerWaalsContact O-N 3.14Å; T867-L941 HydrophobicContact CG2-CB 3.93Å; T867-L941 HydrophobicContact CG2-CD1 4.46Å
868G94.4Very high94.2Very high31 Ų3136.1 Ų36.132%0.3220%0.198SC..Hα-helixtrans-64.4-50.7173.500000111.6Q864 E865 L866 L870 Q871 D872Q864-G868 PolarHBondContact O-N 3.16Å; E865-G868 PolarHBondContact O-N 3.42Å; L866-G868 VanDerWaalsContact C-N 3.3Å; L866-G868 PolarHBondContact O-N 3.17Å; G868-L870 VanDerWaalsContact C-N 3.32Å; G868-L870 PolarHBondContact O-N 3.37Å; G868-Q871 WeakPolarHBondContact O-CB 3.4Å; G868-Q871 PolarHBondContact O-N 3.04Å; G868-Q871 VanDerWaalsContact O-N 3.12Å; G868-D872 PolarHBondContact O-N 3.42Å
869N96.4Very high94.6Very high67 Ų6737.5 Ų37.536%0.35820%0.202SC..Hα-helixtrans-62.8-37.1179.7-67.7-26.9000112.7V782 E865 L866 D872 L873V782-N869 HydrophobicContact CB-CB 4.45Å; V782-N869 HydrophobicContact CG1-CB 3.76Å; V782-N869 HydrophobicContact CG2-CB 3.78Å; E865-N869 WeakPolarHBondContact O-CB 3.43Å; E865-N869 VanDerWaalsContact O-CG 3.23Å; E865-N869 PolarHBondContact O-N 3.46Å; E865-N869 PolarHBondContact O-ND2 2.91Å; L866-N869 PolarHBondContact O-N 3.47Å; N869-D872 PolarHBondContact O-N 2.95Å; N869-L873 WeakPolarHBondContact O-CB 3.42Å; N869-L873 WeakPolarHBondContact O-CG 3.47Å; N869-L873 PolarHBondContact O-N 3.28Å
870L96.5Very high94.9Very high0 Ų039.1 Ų39.10%021%0.209CC..Hα-helixtrans-65.6-38.9174.8-71.3176.4000111.9L785 V824 L825 L866 G868 L873 L874 I938L785-L870 HydrophobicContact CD1-CD2 3.55Å; V824-L870 HydrophobicContact CG1-CD1 4.18Å; V824-L870 HydrophobicContact CG1-CD2 3.99Å; L825-L870 HydrophobicContact CD2-CD1 4.22Å; L866-L870 HydrophobicContact CD1-CD1 3.95Å; L866-L870 HydrophobicContact CD1-CD2 4.45Å; L866-L870 HydrophobicContact CD1-CG 3.98Å; L866-L870 HydrophobicContact CD2-CD1 4.47Å; L866-L870 HydrophobicContact CG-CD1 3.87Å; L866-L870 HydrophobicContact CG-CG 4.27Å; L866-L870 WeakPolarHBondContact O-CB 3.26Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.43Å; L866-L870 PolarHBondContact O-N 3.33Å; G868-L870 VanDerWaalsContact C-N 3.32Å; G868-L870 PolarHBondContact O-N 3.37Å; L870-L873 PolarHBondContact O-N 3.44Å; L870-L874 WeakPolarHBondContact O-CG 3.37Å; L870-L874 PolarHBondContact O-N 3Å; L870-I938 HydrophobicContact CB-CD1 3.96Å
871Q95.9Very high95.2Very high60 Ų6039.2 Ų39.228%0.2821%0.21SC..Hα-helixtrans-63.1-43.8174.7-178.365.356.400111.1T867 G868 T875 A935 I938T867-Q871 PolarHBondContact O-N 3.05Å; T867-Q871 VanDerWaalsContact O-N 3.14Å; G868-Q871 WeakPolarHBondContact O-CB 3.4Å; G868-Q871 PolarHBondContact O-N 3.04Å; G868-Q871 VanDerWaalsContact O-N 3.12Å; Q871-T875 WeakPolarHBondContact O-CB 3.47Å; Q871-T875 PolarHBondContact O-N 3.21Å; Q871-T875 PolarHBondContact O-OG1 3.11Å; Q871-A935 PolarHBondContact OE1-O 3.44Å; Q871-I938 HydrophobicContact CB-CD1 4.14Å; Q871-I938 HydrophobicContact CB-CG2 4.45Å
872D95.6Very high95.5Very high93 Ų9343.8 Ų43.850%0.49722%0.221SC..Hα-helixtrans-64.7-44.3178.4-67.1-19000111.1G868 N869 T875 Q876G868-D872 PolarHBondContact O-N 3.42Å; N869-D872 PolarHBondContact O-N 2.95Å; D872-T875 PolarHBondContact O-N 2.94Å; D872-Q876 WeakPolarHBondContact O-CG 3.5Å; D872-Q876 PolarHBondContact O-N 3.47Å
873L96.6Very high95.6Very high3 Ų345.4 Ų45.42%0.01624%0.237CC..Hα-helixtrans-59.6-47.1176.2-82.2171.7000112.9V782 L785 Q786 L789 N869 L870 T875 Q876 A877V782-L873 HydrophobicContact CG1-CD1 3.93Å; L785-L873 HydrophobicContact CB-CD1 3.95Å; L785-L873 HydrophobicContact CD1-CD1 4.42Å; Q786-L873 HydrophobicContact CB-CD2 3.95Å; Q786-L873 HydrophobicContact CG-CD2 4.34Å; L789-L873 HydrophobicContact CD2-CD2 4.37Å; N869-L873 WeakPolarHBondContact O-CB 3.42Å; N869-L873 WeakPolarHBondContact O-CG 3.47Å; N869-L873 PolarHBondContact O-N 3.28Å; L870-L873 PolarHBondContact O-N 3.44Å; L873-T875 VanDerWaalsContact C-N 3.3Å; L873-T875 PolarHBondContact O-N 2.8Å; L873-Q876 PolarHBondContact O-N 3.34Å; L873-A877 WeakPolarHBondContact O-CB 3.23Å; L873-A877 PolarHBondContact O-N 3.09Å
874L96.4Very high95.5Very high0 Ų046.3 Ų46.30%024%0.242CC..Hα-helixtrans-64.4-37.7177.4-73.3175.2000111.6F817 V821 L825 L870 A877 V878 L931 A935 I938F817-L874 HydrophobicContact CE1-CD2 4.39Å; V821-L874 HydrophobicContact CG1-CD2 3.93Å; V821-L874 HydrophobicContact CG2-CD2 3.87Å; V821-L874 HydrophobicContact CG2-CG 4.37Å; L825-L874 HydrophobicContact CD1-CD1 4.27Å; L870-L874 WeakPolarHBondContact O-CG 3.37Å; L870-L874 PolarHBondContact O-N 3Å; L874-A877 PolarHBondContact O-N 3.39Å; L874-V878 WeakPolarHBondContact O-CG2 3.19Å; L874-V878 PolarHBondContact O-N 3.4Å; L874-L931 HydrophobicContact CD2-CD2 3.75Å; L874-A935 HydrophobicContact CB-CB 4.1Å; L874-A935 HydrophobicContact CD1-CB 3.91Å; L874-I938 HydrophobicContact CD1-CD1 3.51Å; L874-I938 HydrophobicContact CD1-CG1 4.3Å
875T96.1Very high95.6Very high57 Ų5744.6 Ų44.635%0.3523%0.233SC..Hα-helixtrans-63.3-46.9176-53.10000110.5Q871 D872 L873 A877 V878 E879Q871-T875 WeakPolarHBondContact O-CB 3.47Å; Q871-T875 PolarHBondContact O-N 3.21Å; Q871-T875 PolarHBondContact O-OG1 3.11Å; D872-T875 PolarHBondContact O-N 2.94Å; L873-T875 VanDerWaalsContact C-N 3.3Å; L873-T875 PolarHBondContact O-N 2.8Å; T875-A877 VanDerWaalsContact C-N 3.32Å; T875-A877 PolarHBondContact O-N 3.36Å; T875-V878 PolarHBondContact O-N 2.88Å; T875-E879 WeakPolarHBondContact O-CG 3.29Å; T875-E879 PolarHBondContact O-N 2.97Å
876Q96.5Very high95.5Very high75 Ų7543 Ų4335%0.3523%0.234SC..Hα-helixtrans-58.4-42.1174.4-71.5175.544.700112.4L789 D872 L873 E879 H880L789-Q876 HydrophobicContact CD2-CB 4.23Å; D872-Q876 WeakPolarHBondContact O-CG 3.5Å; D872-Q876 PolarHBondContact O-N 3.47Å; L873-Q876 PolarHBondContact O-N 3.34Å; Q876-E879 PolarHBondContact O-N 3.1Å; Q876-H880 WeakPolarHBondContact O-CB 2.99Å; Q876-H880 PolarHBondContact O-N 2.85Å
877A96.7Very high95.3Very high0 Ų044.7 Ų44.70%025%0.252CS..Hα-helixtrans-64.9-44.1178.900000112L789 F817 L873 L874 T875 H880 I881 L931L789-A877 HydrophobicContact CD1-CB 3.78Å; L789-A877 HydrophobicContact CD2-CB 4.1Å; F817-A877 HydrophobicContact CD1-CB 4.24Å; F817-A877 HydrophobicContact CE1-CB 3.5Å; F817-A877 VanDerWaalsContact CE1-CB 3.5Å; F817-A877 HydrophobicContact CZ-CB 4.04Å; L873-A877 WeakPolarHBondContact O-CB 3.23Å; L873-A877 PolarHBondContact O-N 3.09Å; L874-A877 PolarHBondContact O-N 3.39Å; T875-A877 VanDerWaalsContact C-N 3.32Å; T875-A877 PolarHBondContact O-N 3.36Å; A877-H880 PolarHBondContact O-N 2.84Å; A877-I881 WeakPolarHBondContact O-CG1 3.48Å; A877-I881 PolarHBondContact O-N 3.42Å; A877-L931 HydrophobicContact CB-CD1 4.11Å
878V96.5Very high95.2Very high18 Ų1844.1 Ų44.111%0.10925%0.249CC..Hα-helixtrans-65.1-38.8176.6170.90000111.6L874 T875 R882 L931 K932L874-V878 WeakPolarHBondContact O-CG2 3.19Å; L874-V878 PolarHBondContact O-N 3.4Å; T875-V878 PolarHBondContact O-N 2.88Å; V878-R882 PolarHBondContact O-N 3.03Å; V878-L931 HydrophobicContact CG2-CB 3.88Å; V878-K932 HydrophobicContact CG1-CG 3.98Å; V878-K932 HydrophobicContact CG2-CG 4.07Å
879E95.7Very high95Very high117 Ų11747.1 Ų47.155%0.54726%0.261SS..Hα-helixtrans-65.9-42.2174.6-74.4178.6171.300112.1T875 Q876 R882 G883T875-E879 WeakPolarHBondContact O-CG 3.29Å; T875-E879 PolarHBondContact O-N 2.97Å; Q876-E879 PolarHBondContact O-N 3.1Å; E879-R882 PolarHBondContact O-N 3.38Å; E879-G883 PolarHBondContact O-N 2.92Å
880H95.5Very high94.6Very high34 Ų3447.4 Ų47.416%0.15727%0.273CS..Hα-helixtrans-59.9-46.6175.517456.6000111.6S792 Q876 A877 R882 G883 Q884S792-H880 PolarHBondContact O-NE2 3.34Å; Q876-H880 WeakPolarHBondContact O-CB 2.99Å; Q876-H880 PolarHBondContact O-N 2.85Å; A877-H880 PolarHBondContact O-N 2.84Å; H880-R882 PolarHBondContact O-N 2.84Å; H880-G883 PolarHBondContact O-N 2.88Å; H880-Q884 PolarHBondContact O-N 3.47Å
881I96Very high94.1Very high3 Ų349.5 Ų49.52%0.01528%0.284CS..Hα-helixtrans-59.5-46.9176-72.1169.3000111.1L814 A877 G883 Q884 E885 L924 V927 L931L814-I881 HydrophobicContact CD1-CG1 4.37Å; A877-I881 WeakPolarHBondContact O-CG1 3.48Å; A877-I881 PolarHBondContact O-N 3.42Å; I881-G883 PolarHBondContact O-N 3.14Å; I881-Q884 WeakPolarHBondContact O-CB 3.35Å; I881-Q884 PolarHBondContact O-N 3.49Å; I881-Q884 VanDerWaalsContact O-N 3.09Å; I881-E885 HydrophobicContact CG2-CG 4.33Å; I881-E885 WeakPolarHBondContact O-CG 3.45Å; I881-E885 PolarHBondContact O-N 3.4Å; I881-L924 HydrophobicContact CG1-CD2 4.28Å; I881-L924 HydrophobicContact CG2-CB 4.14Å; I881-L924 HydrophobicContact CG2-CD2 4.12Å; I881-L924 WeakPolarHBondContact CG2-O 3.35Å; I881-V927 HydrophobicContact CD1-CG1 3.83Å; I881-L931 HydrophobicContact CD1-CD1 3.54Å
882R95.3Very high93.4Very high143 Ų14354.5 Ų54.554%0.5431%0.305SS..Hα-helixtrans-59.5-38.1177.1-171.1-171.8-58.4170.74.8112.1V878 E879 H880 S886V878-R882 PolarHBondContact O-N 3.03Å; E879-R882 PolarHBondContact O-N 3.38Å; H880-R882 PolarHBondContact O-N 2.84Å; R882-S886 WeakPolarHBondContact O-CB 3.4Å; R882-S886 PolarHBondContact O-N 2.58Å; R882-S886 PolarHBondContact O-OG 3.18Å
883G94.1Very high92.7Very high42 Ų4250.3 Ų50.343%0.43328%0.282SS..Hα-helixtrans-61.8-45.3174.200000112E879 H880 I881 S886 G887E879-G883 PolarHBondContact O-N 2.92Å; H880-G883 PolarHBondContact O-N 2.88Å; I881-G883 PolarHBondContact O-N 3.14Å; G883-S886 PolarHBondContact O-N 2.76Å; G883-G887 PolarHBondContact O-N 3Å
884Q94.4Very high91.4Very high20 Ų2053.4 Ų53.49%0.09331%0.308CS..Hα-helixtrans-64-45.6175.6-69.2-63.2-55.400112.1G794 H880 I881 S886 G887 I888 L924G794-Q884 VanDerWaalsContact O-CD 3.27Å; G794-Q884 PolarHBondContact O-NE2 3.3Å; G794-Q884 PolarHBondContact O-OE1 2.75Å; H880-Q884 PolarHBondContact O-N 3.47Å; I881-Q884 WeakPolarHBondContact O-CB 3.35Å; I881-Q884 PolarHBondContact O-N 3.49Å; I881-Q884 VanDerWaalsContact O-N 3.09Å; Q884-S886 VanDerWaalsContact C-N 3.3Å; Q884-S886 PolarHBondContact O-N 3.49Å; Q884-G887 PolarHBondContact O-N 2.86Å; Q884-I888 WeakPolarHBondContact O-CB 3.42Å; Q884-I888 WeakPolarHBondContact O-CG1 3.32Å; Q884-I888 PolarHBondContact O-N 2.8Å; Q884-L924 HydrophobicContact CB-CD1 3.77Å; Q884-L924 HydrophobicContact CB-CD2 4.38Å
885E94.5Very high89.8Confident47 Ų4757.7 Ų57.722%0.2234%0.338CS..Hα-helixtrans-55.9-45.8175.9-71.3174.6158.500111.4I881 T889 L921 L924I881-E885 HydrophobicContact CG2-CG 4.33Å; I881-E885 WeakPolarHBondContact O-CG 3.45Å; I881-E885 PolarHBondContact O-N 3.4Å; E885-T889 VanDerWaalsContact O-CB 3.28Å; E885-T889 WeakPolarHBondContact O-CB 3.47Å; E885-T889 PolarHBondContact O-N 2.62Å; E885-T889 PolarHBondContact O-OG1 3.06Å; E885-L921 HydrophobicContact CB-CD2 4.43Å; E885-L924 HydrophobicContact CG-CB 3.89Å; E885-L924 HydrophobicContact CG-CD1 4.03Å
886S92.9Very high88.8Confident73 Ų7355.6 Ų55.651%0.5133%0.325SS..Hα-helixtrans-65.6-43178.5-55.20000111.6R882 G883 Q884 A890R882-S886 WeakPolarHBondContact O-CB 3.4Å; R882-S886 PolarHBondContact O-N 2.58Å; R882-S886 PolarHBondContact O-OG 3.18Å; G883-S886 PolarHBondContact O-N 2.76Å; Q884-S886 VanDerWaalsContact C-N 3.3Å; Q884-S886 PolarHBondContact O-N 3.49Å; S886-A890 WeakPolarHBondContact O-CB 3.49Å; S886-A890 PolarHBondContact O-N 3.02Å; S886-A890 VanDerWaalsContact O-N 3.1Å
887G90.8Very high87.4Confident40 Ų4056.5 Ų56.541%0.41234%0.336SS..Hα-helixtrans-63-49178.100000112.2G883 Q884 A890 L891G883-G887 PolarHBondContact O-N 3Å; Q884-G887 PolarHBondContact O-N 2.86Å; G887-A890 WeakPolarHBondContact O-CB 3.3Å; G887-A890 PolarHBondContact O-N 3.27Å; G887-L891 PolarHBondContact O-N 3.1Å
888I92.3Very high86.3Confident3 Ų358.1 Ų58.12%0.01534%0.344CS..Hα-helixtrans-62.9-44.6177.9-67.6173.9000110.8L796 L797 Q884 A890 L891 Q917 L921 L924L796-I888 HydrophobicContact CB-CD1 4.18Å; L796-I888 HydrophobicContact CD1-CD1 4.34Å; L797-I888 HydrophobicContact CB-CG1 4.46Å; L797-I888 HydrophobicContact CD1-CD1 4.35Å; L797-I888 HydrophobicContact CD1-CG1 4.17Å; L797-I888 HydrophobicContact CD1-CG2 3.84Å; L797-I888 HydrophobicContact CG-CD1 4.49Å; L797-I888 HydrophobicContact CG-CG1 4.43Å; Q884-I888 WeakPolarHBondContact O-CB 3.42Å; Q884-I888 WeakPolarHBondContact O-CG1 3.32Å; Q884-I888 PolarHBondContact O-N 2.8Å; I888-A890 PolarHBondContact O-N 3.11Å; I888-L891 WeakPolarHBondContact O-CB 3.33Å; I888-L891 PolarHBondContact O-N 2.9Å; I888-L891 VanDerWaalsContact O-N 3.08Å; I888-Q917 HydrophobicContact CG2-CG 3.59Å; I888-Q917 PolarHBondContact O-NE2 2.93Å; I888-L921 HydrophobicContact CB-CD2 3.87Å; I888-L921 HydrophobicContact CB-CG 4.41Å; I888-L921 HydrophobicContact CG2-CD1 4.17Å; I888-L921 HydrophobicContact CG2-CD2 3.68Å; I888-L921 HydrophobicContact CG2-CG 3.67Å; I888-L924 HydrophobicContact CD1-CD1 3.71Å
889T90.6Very high84.8Confident95 Ų9565.6 Ų65.658%0.58338%0.378SS*.Hα-helixtrans-62.8-29.4178.8-55.80000112.2E885 L891E885-T889 VanDerWaalsContact O-CB 3.28Å; E885-T889 WeakPolarHBondContact O-CB 3.47Å; E885-T889 PolarHBondContact O-N 2.62Å; E885-T889 PolarHBondContact O-OG1 3.06Å; T889-L891 VanDerWaalsContact C-N 3.29Å; T889-L891 PolarHBondContact O-N 3.38Å
890A88.4Confident83.1Confident73 Ų7364.1 Ų64.160%0.60339%0.394SS*.Hα-helixtrans-74.9-16.3177.700000113.6S886 G887 I888 K892S886-A890 WeakPolarHBondContact O-CB 3.49Å; S886-A890 PolarHBondContact O-N 3.02Å; S886-A890 VanDerWaalsContact O-N 3.1Å; G887-A890 WeakPolarHBondContact O-CB 3.3Å; G887-A890 PolarHBondContact O-N 3.27Å; I888-A890 PolarHBondContact O-N 3.11Å; A890-K892 PolarHBondContact O-N 3.04Å
891L86.3Confident81.7Confident43 Ų4364 Ų6423%0.22540%0.396CS..  trans-68.3120.8178.4-62.4176.7000110.7L797 V799 G887 I888 T889 L893 Q917L797-L891 HydrophobicContact CB-CD1 3.66Å; L797-L891 HydrophobicContact CD1-CD1 4.26Å; V799-L891 HydrophobicContact CB-CD2 4.49Å; V799-L891 HydrophobicContact CG2-CD1 4.4Å; V799-L891 HydrophobicContact CG2-CD2 3.86Å; G887-L891 PolarHBondContact O-N 3.1Å; I888-L891 WeakPolarHBondContact O-CB 3.33Å; I888-L891 PolarHBondContact O-N 2.9Å; I888-L891 VanDerWaalsContact O-N 3.08Å; T889-L891 VanDerWaalsContact C-N 3.29Å; T889-L891 PolarHBondContact O-N 3.38Å; L891-L893 HydrophobicContact CB-CD2 4.17Å; L891-L893 HydrophobicContact CB-CG 4.44Å; L891-L893 PolarHBondContact O-N 3.13Å; L891-Q917 PolarHBondContact O-NE2 2.9Å; L891-Q917 VanDerWaalsContact O-NE2 3.09Å
892K81.5Confident80.6Confident166 Ų16666.5 Ų66.572%0.72241%0.414SS*.  trans-97.774.1176.2-65.1-176.1-179.5179.60110.6A890 A894 S895A890-K892 PolarHBondContact O-N 3.04Å; K892-A894 PolarHBondContact O-N 2.92Å; K892-S895 WeakPolarHBondContact O-CB 3.32Å; K892-S895 PolarHBondContact O-N 3.38Å; K892-S895 PolarHBondContact O-OG 3.34Å
893L80.1Confident79.7Confident4 Ų471 Ų712%0.02143%0.431CS..G310 helixtrans-61.3-30.7-175.6-57.8-177.7000112.9V799 L804 L891 S895 L896 M913 Q917V799-L893 HydrophobicContact CG2-CD2 4.27Å; L804-L893 HydrophobicContact CD1-CD2 4.03Å; L804-L893 HydrophobicContact CD2-CD1 4.07Å; L804-L893 HydrophobicContact CD2-CD2 4.06Å; L891-L893 HydrophobicContact CB-CD2 4.17Å; L891-L893 HydrophobicContact CB-CG 4.44Å; L891-L893 PolarHBondContact O-N 3.13Å; L893-S895 PolarHBondContact O-N 3Å; L893-L896 HydrophobicContact CB-CD1 4.49Å; L893-L896 HydrophobicContact CD2-CD1 3.92Å; L893-L896 WeakPolarHBondContact O-CB 3.44Å; L893-L896 WeakPolarHBondContact O-CG 3.43Å; L893-L896 PolarHBondContact O-N 3.06Å; L893-M913 HydrophobicContact CD1-CB 4.13Å; L893-Q917 HydrophobicContact CD1-CB 3.77Å; L893-Q917 HydrophobicContact CD1-CG 4.12Å; L893-Q917 VanDerWaalsContact CD1-OE1 3.29Å
894A69.2Low79.1Confident69 Ų6974.5 Ų74.557%0.5744%0.436SS*.G310 helixtrans-55.3-26173.800000114.2K892 K910K892-A894 PolarHBondContact O-N 2.92Å; A894-K910 PolarHBondContact O-NZ 3.37Å
895S63.3Low78.5Confident89 Ų8974.7 Ų74.762%0.62244%0.437SS*.G310 helixtrans-85.8-6.4-178.769.70000114.8K892 L893K892-S895 WeakPolarHBondContact O-CB 3.32Å; K892-S895 PolarHBondContact O-N 3.38Å; K892-S895 PolarHBondContact O-OG 3.34Å; L893-S895 PolarHBondContact O-N 3Å
896L74.5Confident78.1Confident13 Ų1373.2 Ų73.27%0.06843%0.433CS..  trans-67.3132.6175.8-63.4174.1000110.4V799 L804 L893 K910 M913V799-L896 HydrophobicContact CG1-CD2 3.84Å; L804-L896 HydrophobicContact CB-CD1 4.38Å; L893-L896 HydrophobicContact CB-CD1 4.49Å; L893-L896 HydrophobicContact CD2-CD1 3.92Å; L893-L896 WeakPolarHBondContact O-CB 3.44Å; L893-L896 WeakPolarHBondContact O-CG 3.43Å; L893-L896 PolarHBondContact O-N 3.06Å; L896-K910 VanDerWaalsContact O-CE 3.23Å; L896-K910 WeakPolarHBondContact O-CE 3.38Å; L896-K910 PolarHBondContact O-NZ 3.36Å; L896-M913 HydrophobicContact CD1-SD 4.26Å
897T67.8Low78.1Confident95 Ų9572.8 Ų72.858%0.58343%0.43SS*.  trans-86.311417244.20000108.9
898L73.4Confident78.2Confident33 Ų3372.9 Ų72.917%0.17342%0.419CS..  trans-91108.6173.5-62.5172.1000107.8A906 T909 K910 M913L898-A906 HydrophobicContact CB-CB 4.48Å; L898-A906 HydrophobicContact CD1-CB 4.03Å; L898-T909 HydrophobicContact CD1-CG2 3.64Å; L898-T909 HydrophobicContact CD2-CG2 4.3Å; L898-K910 HydrophobicContact CD1-CG 4.09Å; L898-M913 HydrophobicContact CD2-CE 4.01Å
899E63.7Low78.2Confident176 Ų17672.8 Ų72.882%0.82242%0.419SS*.THydrogen-bonded Turntrans-73.8147178-64.5-174.4173.900110.9C901E899-C901 VanDerWaalsContact C-N 3.34Å; E899-C901 PolarHBondContact O-N 3.39Å
900G61.6Low78.2Confident85 Ų8570.9 Ų70.988%0.87640%0.402SS*.THydrogen-bonded Turntrans73.513.4171.900000116.9
901C64.6Low78.4Confident32 Ų3269.5 Ų69.522%0.21639%0.391CS..  trans-117.1149.8-179.4-55.80000112.1Q463 E899 E905 A906Q463-C901 PolarHBondContact NE2-SG 3.35Å; Q463-C901 PolarHBondContact OE1-SG 3.09Å; E899-C901 VanDerWaalsContact C-N 3.34Å; E899-C901 PolarHBondContact O-N 3.39Å; C901-E905 WeakPolarHBondContact CA-OE2 3.27Å; C901-E905 HydrophobicContact CB-CB 4.2Å; C901-A906 HydrophobicContact CB-CB 4.45Å
902S73.7Confident78.7Confident56 Ų5667.4 Ų67.439%0.39238%0.38SS..  trans-64.4161168.593.80000110.6E904 E905 A906S902-E904 PolarHBondContact O-N 3.03Å; S902-E904 PolarHBondContact OG-N 3.28Å; S902-E905 PolarHBondContact N-OE2 3.29Å; S902-E905 PolarHBondContact O-N 3.45Å; S902-E905 VanDerWaalsContact OG-CG 3.29Å; S902-E905 WeakPolarHBondContact OG-CG 3.2Å; S902-E905 PolarHBondContact OG-N 3Å; S902-E905 VanDerWaalsContact OG-N 3.12Å; S902-A906 VanDerWaalsContact O-CB 3.29Å; S902-A906 WeakPolarHBondContact O-CB 3.39Å; S902-A906 PolarHBondContact O-N 3.43Å
903R76.9Confident79.3Confident236 Ų23659.6 Ų59.689%0.89135%0.346SS*.Hα-helixtrans-61.2-33178.4-176.3178.6176.2-174.9-1.3112.2S907R903-S907 PolarHBondContact O-N 3Å
904E80.2Confident80Confident116 Ų11662.5 Ų62.554%0.54236%0.361SS..Hα-helixtrans-75.6-47.1179.8-173.8161.1-157.300111S902 A906 S907 F908S902-E904 PolarHBondContact O-N 3.03Å; S902-E904 PolarHBondContact OG-N 3.28Å; E904-A906 VanDerWaalsContact C-N 3.29Å; E904-A906 PolarHBondContact O-N 3.41Å; E904-S907 WeakPolarHBondContact O-CA 3.43Å; E904-S907 VanDerWaalsContact O-CB 3.28Å; E904-S907 WeakPolarHBondContact O-CB 3.46Å; E904-S907 PolarHBondContact O-N 2.89Å; E904-S907 PolarHBondContact O-OG 2.92Å; E904-F908 HydrophobicContact CG-CD2 4.49Å; E904-F908 HydrophobicContact CG-CE2 4.03Å; E904-F908 WeakPolarHBondContact O-CD2 3.2Å; E904-F908 PolarHBondContact O-N 2.77Å
905E83.1Confident81.2Confident24 Ų2462.6 Ų62.611%0.11235%0.349CS..Hα-helixtrans-56.9-44.6173.4-69.1172.3166.900111.5K416 C901 S902 S907 F908 T909K416-E905 WeakPolarHBondContact CE-OE1 3.46Å; K416-E905 IonicContact NZ-OE1 3.22Å; K416-E905 PolarHBondContact NZ-OE1 2.91Å; K416-E905 IonicContact NZ-OE2 2.76Å; K416-E905 PolarHBondContact NZ-OE2 2.94Å; K416-E905 VanDerWaalsContact NZ-OE2 3.09Å; C901-E905 WeakPolarHBondContact CA-OE2 3.27Å; C901-E905 HydrophobicContact CB-CB 4.2Å; S902-E905 PolarHBondContact N-OE2 3.29Å; S902-E905 PolarHBondContact O-N 3.45Å; S902-E905 VanDerWaalsContact OG-CG 3.29Å; S902-E905 WeakPolarHBondContact OG-CG 3.2Å; S902-E905 PolarHBondContact OG-N 3Å; S902-E905 VanDerWaalsContact OG-N 3.12Å; E905-S907 PolarHBondContact O-N 3.3Å; E905-F908 PolarHBondContact O-N 3.29Å; E905-T909 PolarHBondContact O-N 3.5Å; E905-T909 PolarHBondContact O-OG1 3.13Å
906A86.5Confident82.8Confident16 Ų1658.4 Ų58.413%0.13232%0.319CS..Hα-helixtrans-60.9-26.8176.100000112.6L898 C901 S902 E904 K910L898-A906 HydrophobicContact CB-CB 4.48Å; L898-A906 HydrophobicContact CD1-CB 4.03Å; C901-A906 HydrophobicContact CB-CB 4.45Å; S902-A906 VanDerWaalsContact O-CB 3.29Å; S902-A906 WeakPolarHBondContact O-CB 3.39Å; S902-A906 PolarHBondContact O-N 3.43Å; E904-A906 VanDerWaalsContact C-N 3.29Å; E904-A906 PolarHBondContact O-N 3.41Å; A906-K910 WeakPolarHBondContact O-CB 3.27Å; A906-K910 WeakPolarHBondContact O-CD 3.44Å; A906-K910 WeakPolarHBondContact O-CG 3.43Å; A906-K910 PolarHBondContact O-N 3.05Å; A906-K910 VanDerWaalsContact O-N 3.13Å
907S90.9Very high83.8Confident64 Ų6458.8 Ų58.845%0.44832%0.321SS..Hα-helixtrans-73.8-42177.581.50000112.1R903 E904 E905 K910 A911R903-S907 PolarHBondContact O-N 3Å; E904-S907 WeakPolarHBondContact O-CA 3.43Å; E904-S907 VanDerWaalsContact O-CB 3.28Å; E904-S907 WeakPolarHBondContact O-CB 3.46Å; E904-S907 PolarHBondContact O-N 2.89Å; E904-S907 PolarHBondContact O-OG 2.92Å; E905-S907 PolarHBondContact O-N 3.3Å; S907-K910 PolarHBondContact O-N 3.41Å; S907-A911 WeakPolarHBondContact O-CB 3.15Å; S907-A911 PolarHBondContact O-N 2.93Å
908F93.1Very high85.2Confident42 Ų4257 Ų5718%0.18431%0.313CS..Hα-helixtrans-66.8-43.9175.7-72.4-70.9000111.7G466 E469 E470 E904 E905 K910 A911 A912G466-F908 WeakPolarHBondContact O-CB 3.5Å; E469-F908 HydrophobicContact CB-CB 4.42Å; E469-F908 HydrophobicContact CB-CD1 4.15Å; E470-F908 HydrophobicContact CB-CD1 4.47Å; E470-F908 HydrophobicContact CB-CD2 3.67Å; E470-F908 HydrophobicContact CB-CE2 3.79Å; E470-F908 HydrophobicContact CB-CG 4.03Å; E470-F908 HydrophobicContact CB-CZ 4.24Å; E470-F908 HydrophobicContact CG-CD2 4.15Å; E470-F908 HydrophobicContact CG-CE2 3.87Å; E470-F908 HydrophobicContact CG-CZ 4.45Å; E904-F908 HydrophobicContact CG-CD2 4.49Å; E904-F908 HydrophobicContact CG-CE2 4.03Å; E904-F908 WeakPolarHBondContact O-CD2 3.2Å; E904-F908 PolarHBondContact O-N 2.77Å; E905-F908 PolarHBondContact O-N 3.29Å; F908-K910 VanDerWaalsContact C-N 3.33Å; F908-K910 PolarHBondContact O-N 3.48Å; F908-A911 PolarHBondContact O-N 2.89Å; F908-A912 PolarHBondContact O-N 2.95Å
909T92.1Very high86.3Confident1 Ų155.5 Ų55.51%0.00630%0.304CS..Hα-helixtrans-59.9-43.2175.8-59.60000111.4W462 L898 E905 A912 M913W462-T909 HydrophobicContact CB-CG2 3.96Å; L898-T909 HydrophobicContact CD1-CG2 3.64Å; L898-T909 HydrophobicContact CD2-CG2 4.3Å; E905-T909 PolarHBondContact O-N 3.5Å; E905-T909 PolarHBondContact O-OG1 3.13Å; T909-A912 PolarHBondContact O-N 2.75Å; T909-M913 HydrophobicContact CG2-CE 4.06Å; T909-M913 WeakPolarHBondContact O-CG 3.3Å; T909-M913 PolarHBondContact O-N 2.98Å
910K91.2Very high87.9Confident56 Ų5647.1 Ų47.124%0.24327%0.265CS..Hα-helixtrans-63.9-42.7175.4-76.1175.7-177.3-161.90112.4A894 L896 L898 A906 S907 F908 A912 M913 D914A894-K910 PolarHBondContact O-NZ 3.37Å; L896-K910 VanDerWaalsContact O-CE 3.23Å; L896-K910 WeakPolarHBondContact O-CE 3.38Å; L896-K910 PolarHBondContact O-NZ 3.36Å; L898-K910 HydrophobicContact CD1-CG 4.09Å; A906-K910 WeakPolarHBondContact O-CB 3.27Å; A906-K910 WeakPolarHBondContact O-CD 3.44Å; A906-K910 WeakPolarHBondContact O-CG 3.43Å; A906-K910 PolarHBondContact O-N 3.05Å; A906-K910 VanDerWaalsContact O-N 3.13Å; S907-K910 PolarHBondContact O-N 3.41Å; F908-K910 VanDerWaalsContact C-N 3.33Å; F908-K910 PolarHBondContact O-N 3.48Å; K910-A912 VanDerWaalsContact C-N 3.29Å; K910-A912 PolarHBondContact O-N 3.24Å; K910-M913 WeakPolarHBondContact O-CB 3.3Å; K910-M913 PolarHBondContact O-N 2.89Å; K910-M913 VanDerWaalsContact O-N 3.17Å; K910-D914 PolarHBondContact O-N 3.05Å
911A92.1Very high89.6Confident43 Ų4345.2 Ų45.236%0.35524%0.235SC..Hα-helixtrans-60.7-39.4175.300000111.8S907 F908 D914 K915S907-A911 WeakPolarHBondContact O-CB 3.15Å; S907-A911 PolarHBondContact O-N 2.93Å; F908-A911 PolarHBondContact O-N 2.89Å; A911-D914 PolarHBondContact O-N 3.02Å; A911-K915 WeakPolarHBondContact O-CG 3.37Å; A911-K915 PolarHBondContact O-N 3.15Å
912A93.8Very high91.2Very high0 Ų048.1 Ų48.10%024%0.241CC..Hα-helixtrans-64.7-40.3174.500000112.4L465 F908 T909 K910 K915 V916L465-A912 HydrophobicContact CB-CB 3.91Å; L465-A912 HydrophobicContact CD1-CB 4.34Å; F908-A912 PolarHBondContact O-N 2.95Å; T909-A912 PolarHBondContact O-N 2.75Å; K910-A912 VanDerWaalsContact C-N 3.29Å; K910-A912 PolarHBondContact O-N 3.24Å; A912-K915 WeakPolarHBondContact O-CB 3.33Å; A912-K915 PolarHBondContact O-N 2.82Å; A912-V916 WeakPolarHBondContact O-CG2 3.45Å; A912-V916 PolarHBondContact O-N 3.02Å; A912-V916 VanDerWaalsContact O-N 3.1Å
913M94.2Very high92.4Very high2 Ų245.4 Ų45.41%0.0122%0.223CC..Hα-helixtrans-62.5-43.8173.7-70.2178.2172.500112W462 L804 L893 L896 L898 T909 K910 K915 V916 Q917W462-M913 HydrophobicContact CB-CE 3.76Å; W462-M913 HydrophobicContact CD2-CE 3.77Å; W462-M913 HydrophobicContact CD2-CG 3.99Å; W462-M913 HydrophobicContact CE3-CE 4.32Å; W462-M913 HydrophobicContact CE3-CG 3.62Å; W462-M913 HydrophobicContact CG-CE 3.47Å; W462-M913 VanDerWaalsContact CG-CE 3.47Å; W462-M913 HydrophobicContact CH2-CG 4.4Å; W462-M913 HydrophobicContact CZ3-CB 4.44Å; W462-M913 HydrophobicContact CZ3-CG 3.86Å; L804-M913 HydrophobicContact CD2-CB 4.22Å; L804-M913 HydrophobicContact CD2-CG 4.05Å; L804-M913 HydrophobicContact CD2-SD 4.35Å; L893-M913 HydrophobicContact CD1-CB 4.13Å; L896-M913 HydrophobicContact CD1-SD 4.26Å; L898-M913 HydrophobicContact CD2-CE 4.01Å; T909-M913 HydrophobicContact CG2-CE 4.06Å; T909-M913 WeakPolarHBondContact O-CG 3.3Å; T909-M913 PolarHBondContact O-N 2.98Å; K910-M913 WeakPolarHBondContact O-CB 3.3Å; K910-M913 PolarHBondContact O-N 2.89Å; K910-M913 VanDerWaalsContact O-N 3.17Å; M913-K915 VanDerWaalsContact C-N 3.33Å; M913-K915 PolarHBondContact O-N 3.35Å; M913-V916 PolarHBondContact O-N 3.43Å; M913-V916 VanDerWaalsContact O-N 3.15Å; M913-Q917 PolarHBondContact O-N 3.01Å
914D93.7Very high93.4Very high64 Ų6434.2 Ų34.234%0.34218%0.18SC..Hα-helixtrans-63.8-37.6178-69.4-19.5000111.9K910 A911 Q917 S918K910-D914 PolarHBondContact O-N 3.05Å; A911-D914 PolarHBondContact O-N 3.02Å; D914-Q917 PolarHBondContact O-N 3.44Å; D914-S918 WeakPolarHBondContact O-CB 3.17Å; D914-S918 PolarHBondContact O-N 3.05Å; D914-S918 PolarHBondContact O-OG 2.78Å
915K95.6Very high94.2Very high72 Ų7232.5 Ų32.531%0.31317%0.172SC..Hα-helixtrans-60.8-43.7171.8-77.1179.5-169.2-177.60111.7E469 P497 A911 A912 M913 S918 S919E469-K915 IonicContact OE1-NZ 3.26Å; E469-K915 PolarHBondContact OE1-NZ 3.25Å; E469-K915 IonicContact OE2-NZ 2.57Å; E469-K915 PolarHBondContact OE2-NZ 3.24Å; P497-K915 HydrophobicContact CB-CD 4.32Å; P497-K915 HydrophobicContact CG-CB 3.79Å; P497-K915 HydrophobicContact CG-CD 4.27Å; P497-K915 HydrophobicContact CG-CG 4.35Å; A911-K915 WeakPolarHBondContact O-CG 3.37Å; A911-K915 PolarHBondContact O-N 3.15Å; A912-K915 WeakPolarHBondContact O-CB 3.33Å; A912-K915 PolarHBondContact O-N 2.82Å; M913-K915 VanDerWaalsContact C-N 3.33Å; M913-K915 PolarHBondContact O-N 3.35Å; K915-S918 PolarHBondContact O-N 3.15Å; K915-S919 WeakPolarHBondContact O-CB 3.37Å; K915-S919 PolarHBondContact O-N 3.33Å
916V96.1Very high94.9Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-63.8-48.2176173.60000110.7W462 Y489 L797 T806 A912 M913 S918 S919 Y920W462-V916 HydrophobicContact CH2-CB 4Å; W462-V916 HydrophobicContact CH2-CG1 4.03Å; W462-V916 HydrophobicContact CH2-CG2 3.83Å; W462-V916 HydrophobicContact CZ3-CB 4.26Å; W462-V916 HydrophobicContact CZ3-CG2 3.75Å; Y489-V916 HydrophobicContact CD1-CG2 3.88Å; Y489-V916 HydrophobicContact CE1-CG2 3.89Å; L797-V916 HydrophobicContact CD2-CG1 4.42Å; T806-V916 HydrophobicContact CG2-CG1 4.24Å; A912-V916 WeakPolarHBondContact O-CG2 3.45Å; A912-V916 PolarHBondContact O-N 3.02Å; A912-V916 VanDerWaalsContact O-N 3.1Å; M913-V916 PolarHBondContact O-N 3.43Å; M913-V916 VanDerWaalsContact O-N 3.15Å; V916-S918 VanDerWaalsContact C-N 3.31Å; V916-S918 PolarHBondContact O-N 2.87Å; V916-S919 PolarHBondContact O-N 2.73Å; V916-Y920 HydrophobicContact CG1-CD2 3.67Å; V916-Y920 HydrophobicContact CG1-CE2 3.65Å; V916-Y920 WeakPolarHBondContact O-CD2 3.23Å; V916-Y920 PolarHBondContact O-N 3.2Å
917Q95.6Very high95.5Very high22 Ų2231.7 Ų31.710%0.10317%0.166CC..Hα-helixtrans-54.7-47.1177.5-169.3-175.88.200112L797 I888 L891 L893 M913 D914 Y920 L921L797-Q917 HydrophobicContact CD1-CB 4.36Å; L797-Q917 HydrophobicContact CD1-CG 4.22Å; I888-Q917 HydrophobicContact CG2-CG 3.59Å; I888-Q917 PolarHBondContact O-NE2 2.93Å; L891-Q917 PolarHBondContact O-NE2 2.9Å; L891-Q917 VanDerWaalsContact O-NE2 3.09Å; L893-Q917 HydrophobicContact CD1-CB 3.77Å; L893-Q917 HydrophobicContact CD1-CG 4.12Å; L893-Q917 VanDerWaalsContact CD1-OE1 3.29Å; M913-Q917 PolarHBondContact O-N 3.01Å; D914-Q917 PolarHBondContact O-N 3.44Å; Q917-Y920 PolarHBondContact O-N 3.07Å; Q917-L921 WeakPolarHBondContact O-CG 3.48Å; Q917-L921 PolarHBondContact O-N 2.75Å; Q917-L921 VanDerWaalsContact O-N 3.13Å
918S96.1Very high95.8Very high58 Ų5828.7 Ų28.741%0.40615%0.145SC..Hα-helixtrans-62.9-44178.9-57.50000111.7D914 K915 V916 Y920 L921 R922D914-S918 WeakPolarHBondContact O-CB 3.17Å; D914-S918 PolarHBondContact O-N 3.05Å; D914-S918 PolarHBondContact O-OG 2.78Å; K915-S918 PolarHBondContact O-N 3.15Å; V916-S918 VanDerWaalsContact C-N 3.31Å; V916-S918 PolarHBondContact O-N 2.87Å; S918-Y920 PolarHBondContact O-N 2.78Å; S918-L921 WeakPolarHBondContact O-CB 3.48Å; S918-L921 PolarHBondContact O-N 3.39Å; S918-R922 PolarHBondContact O-N 3.3Å
919S97.6Very high96Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-62.2-41178.1-173.80000112.5S494 F495 E496 Q528 K915 V916 R922 S923S494-S919 WeakPolarHBondContact OG-CB 3.32Å; S494-S919 PolarHBondContact OG-OG 2.86Å; F495-S919 PolarHBondContact N-OG 2.96Å; E496-S919 PolarHBondContact N-OG 3.08Å; E496-S919 PolarHBondContact OE2-N 3.22Å; Q528-S919 PolarHBondContact NE2-O 3.49Å; K915-S919 WeakPolarHBondContact O-CB 3.37Å; K915-S919 PolarHBondContact O-N 3.33Å; V916-S919 PolarHBondContact O-N 2.73Å; S919-R922 PolarHBondContact O-N 3.05Å; S919-S923 PolarHBondContact O-N 3.28Å; S919-S923 PolarHBondContact O-OG 3.42Å
920Y97.8Very high96.2Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-64-42.6176.8-92-88.8000111.8L492 L796 L797 P808 L811 V916 Q917 S918 R922 S923 L924L492-Y920 VanDerWaalsContact O-CE2 3.26Å; L492-Y920 WeakPolarHBondContact O-CE2 3.47Å; L492-Y920 PolarHBondContact O-OH 3.39Å; L796-Y920 HydrophobicContact CB-CD1 3.95Å; L796-Y920 HydrophobicContact CB-CE1 3.95Å; L796-Y920 HydrophobicContact CD1-CD1 4.01Å; L796-Y920 HydrophobicContact CD1-CE1 4.41Å; L796-Y920 HydrophobicContact CD2-CE1 4.47Å; L796-Y920 HydrophobicContact CG-CD1 4.48Å; L797-Y920 HydrophobicContact CD2-CD2 4.07Å; L797-Y920 HydrophobicContact CD2-CE2 4.01Å; L797-Y920 HydrophobicContact CG-CD2 4.48Å; P808-Y920 WeakPolarHBondContact CA-OH 3.33Å; L811-Y920 HydrophobicContact CB-CE1 4.3Å; L811-Y920 HydrophobicContact CD2-CD1 4.04Å; L811-Y920 HydrophobicContact CD2-CE1 3.98Å; V916-Y920 HydrophobicContact CG1-CD2 3.67Å; V916-Y920 HydrophobicContact CG1-CE2 3.65Å; V916-Y920 WeakPolarHBondContact O-CD2 3.23Å; V916-Y920 PolarHBondContact O-N 3.2Å; Q917-Y920 PolarHBondContact O-N 3.07Å; S918-Y920 PolarHBondContact O-N 2.78Å; Y920-R922 VanDerWaalsContact C-N 3.32Å; Y920-R922 PolarHBondContact O-N 3.11Å; Y920-S923 PolarHBondContact O-N 2.9Å; Y920-L924 WeakPolarHBondContact O-CG 3.33Å; Y920-L924 PolarHBondContact O-N 3.39Å
921L97.5Very high96.5Very high45 Ų4527.3 Ų27.324%0.23614%0.142CC..Hα-helixtrans-60.1-43.6174.5-72.6171.8000111.2E885 I888 Q917 S918 L924 Q925E885-L921 HydrophobicContact CB-CD2 4.43Å; I888-L921 HydrophobicContact CB-CD2 3.87Å; I888-L921 HydrophobicContact CB-CG 4.41Å; I888-L921 HydrophobicContact CG2-CD1 4.17Å; I888-L921 HydrophobicContact CG2-CD2 3.68Å; I888-L921 HydrophobicContact CG2-CG 3.67Å; Q917-L921 WeakPolarHBondContact O-CG 3.48Å; Q917-L921 PolarHBondContact O-N 2.75Å; Q917-L921 VanDerWaalsContact O-N 3.13Å; S918-L921 WeakPolarHBondContact O-CB 3.48Å; S918-L921 PolarHBondContact O-N 3.39Å; L921-L924 PolarHBondContact O-N 3.12Å; L921-Q925 WeakPolarHBondContact O-CB 3.42Å; L921-Q925 PolarHBondContact O-N 3.21Å
922R97.6Very high96.7Very high93 Ų9329.2 Ų29.235%0.35114%0.142SC..Hα-helixtrans-62.9-43.2177.9-177.467.3-167.1173.10.2112.1S918 S919 Y920 Q925 E926S918-R922 PolarHBondContact O-N 3.3Å; S919-R922 PolarHBondContact O-N 3.05Å; Y920-R922 VanDerWaalsContact C-N 3.32Å; Y920-R922 PolarHBondContact O-N 3.11Å; R922-Q925 WeakPolarHBondContact O-CB 3.42Å; R922-Q925 PolarHBondContact O-N 3.28Å; R922-E926 IonicContact CZ-OE1 2.69Å; R922-E926 IonicContact NE-OE1 2.85Å; R922-E926 PolarHBondContact NE-OE1 3.4Å; R922-E926 VanDerWaalsContact NE-OE1 3.09Å; R922-E926 IonicContact NH2-OE1 3.68Å; R922-E926 PolarHBondContact NH2-OE1 2.88Å; R922-E926 PolarHBondContact O-N 3.44Å
923S98Very high96.8Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-62.2-46.1176.7-68.50000111.8L526 Q528 S919 Y920 Q925 E926 V927L526-S923 WeakPolarHBondContact O-CB 3.44Å; L526-S923 PolarHBondContact O-OG 3.44Å; Q528-S923 VanDerWaalsContact NE2-N 3.11Å; Q528-S923 PolarHBondContact NE2-OG 3.43Å; S919-S923 PolarHBondContact O-N 3.28Å; S919-S923 PolarHBondContact O-OG 3.42Å; Y920-S923 PolarHBondContact O-N 2.9Å; S923-Q925 VanDerWaalsContact C-N 3.3Å; S923-Q925 PolarHBondContact O-N 2.95Å; S923-E926 PolarHBondContact O-N 3.03Å; S923-V927 WeakPolarHBondContact O-CB 3.41Å; S923-V927 VanDerWaalsContact O-CG2 3.28Å; S923-V927 WeakPolarHBondContact O-CG2 3.46Å; S923-V927 PolarHBondContact O-N 3.25Å
924L98Very high96.8Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-60.7-40.6176.2-75.8174.9000112.1L796 L814 I881 Q884 E885 I888 Y920 L921 G928L796-L924 HydrophobicContact CD1-CD1 3.97Å; L796-L924 HydrophobicContact CD1-CD2 3.77Å; L796-L924 HydrophobicContact CD1-CG 4.05Å; L814-L924 HydrophobicContact CD1-CD2 3.98Å; I881-L924 HydrophobicContact CG1-CD2 4.28Å; I881-L924 HydrophobicContact CG2-CB 4.14Å; I881-L924 HydrophobicContact CG2-CD2 4.12Å; I881-L924 WeakPolarHBondContact CG2-O 3.35Å; Q884-L924 HydrophobicContact CB-CD1 3.77Å; Q884-L924 HydrophobicContact CB-CD2 4.38Å; E885-L924 HydrophobicContact CG-CB 3.89Å; E885-L924 HydrophobicContact CG-CD1 4.03Å; I888-L924 HydrophobicContact CD1-CD1 3.71Å; Y920-L924 WeakPolarHBondContact O-CG 3.33Å; Y920-L924 PolarHBondContact O-N 3.39Å; L921-L924 PolarHBondContact O-N 3.12Å; L924-G928 WeakPolarHBondContact O-CA 3.49Å; L924-G928 PolarHBondContact O-N 3.39Å
925Q97.7Very high96.7Very high81 Ų8132 Ų3238%0.37915%0.154SC..Hα-helixtrans-61.7-49.6177.6-174.1-177.211.900111.3L921 R922 S923 G928 D929L921-Q925 WeakPolarHBondContact O-CB 3.42Å; L921-Q925 PolarHBondContact O-N 3.21Å; R922-Q925 WeakPolarHBondContact O-CB 3.42Å; R922-Q925 PolarHBondContact O-N 3.28Å; S923-Q925 VanDerWaalsContact C-N 3.3Å; S923-Q925 PolarHBondContact O-N 2.95Å; Q925-G928 PolarHBondContact O-N 3.11Å; Q925-D929 VanDerWaalsContact O-CB 3.29Å; Q925-D929 WeakPolarHBondContact O-CB 3.38Å; Q925-D929 VanDerWaalsContact O-CG 3.26Å; Q925-D929 PolarHBondContact O-N 3.42Å
926E98.1Very high96.6Very high23 Ų2334.6 Ų34.611%0.10717%0.167CC..Hα-helixtrans-65.2-43.7-179.3-70.6-162.9-169.100112.1G527 F529 S530 R922 S923 L930G527-E926 WeakPolarHBondContact O-CB 3.29Å; F529-E926 HydrophobicContact CD2-CB 4.19Å; F529-E926 PolarHBondContact N-OE2 3.48Å; S530-E926 PolarHBondContact N-OE2 3.28Å; R922-E926 IonicContact CZ-OE1 2.69Å; R922-E926 IonicContact NE-OE1 2.85Å; R922-E926 PolarHBondContact NE-OE1 3.4Å; R922-E926 VanDerWaalsContact NE-OE1 3.09Å; R922-E926 IonicContact NH2-OE1 3.68Å; R922-E926 PolarHBondContact NH2-OE1 2.88Å; R922-E926 PolarHBondContact O-N 3.44Å; S923-E926 PolarHBondContact O-N 3.03Å; E926-L930 PolarHBondContact O-N 3.4Å; E926-L930 VanDerWaalsContact O-N 3.08Å
927V98Very high96.4Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-62.9-46.6175.1173.60000111F529 V815 L818 I881 S923 L930 L931F529-V927 HydrophobicContact CE2-CG2 3.88Å; F529-V927 HydrophobicContact CZ-CG2 4.09Å; V815-V927 HydrophobicContact CG2-CG2 4.21Å; L818-V927 HydrophobicContact CD2-CG1 4.29Å; I881-V927 HydrophobicContact CD1-CG1 3.83Å; S923-V927 WeakPolarHBondContact O-CB 3.41Å; S923-V927 VanDerWaalsContact O-CG2 3.28Å; S923-V927 WeakPolarHBondContact O-CG2 3.46Å; S923-V927 PolarHBondContact O-N 3.25Å; V927-L930 PolarHBondContact O-N 3.33Å; V927-L931 HydrophobicContact CG1-CD1 4.13Å; V927-L931 WeakPolarHBondContact O-CG 3.5Å; V927-L931 PolarHBondContact O-N 2.92Å
928G97.5Very high96.2Very high1 Ų134.6 Ų34.61%0.0117%0.169CC..Hα-helixtrans-63.7-42.6-179.500000112.5L924 Q925 L931 K932L924-G928 WeakPolarHBondContact O-CA 3.49Å; L924-G928 PolarHBondContact O-N 3.39Å; Q925-G928 PolarHBondContact O-N 3.11Å; G928-L931 PolarHBondContact O-N 3.4Å; G928-K932 VanDerWaalsContact O-CG 3.26Å; G928-K932 WeakPolarHBondContact O-CG 3Å; G928-K932 PolarHBondContact O-N 2.82Å
929D96.9Very high95.8Very high61 Ų6138.4 Ų38.433%0.32618%0.178SC..Hα-helixtrans-67.1-36.6177.5-74.8-12.8000112.1Q925 K932 K933Q925-D929 VanDerWaalsContact O-CB 3.29Å; Q925-D929 WeakPolarHBondContact O-CB 3.38Å; Q925-D929 VanDerWaalsContact O-CG 3.26Å; Q925-D929 PolarHBondContact O-N 3.42Å; D929-K932 IonicContact OD1-NZ 3.8Å; D929-K932 PolarHBondContact OD1-NZ 3.03Å; D929-K933 WeakPolarHBondContact O-CG 3.3Å; D929-K933 PolarHBondContact O-N 3.21Å
930L97.1Very high95.2Very high8 Ų844 Ų444%0.04221%0.208CC..Hα-helixtrans-68.7-42.5174.2-167.356.8000111.9F529 L596 I600 L818 E926 V927 K932 K933 R934F529-L930 HydrophobicContact CD2-CD2 4.47Å; F529-L930 HydrophobicContact CE2-CD2 4.31Å; L596-L930 HydrophobicContact CD2-CD1 4.37Å; L596-L930 HydrophobicContact CD2-CD2 3.98Å; I600-L930 HydrophobicContact CD1-CD1 3.64Å; L818-L930 HydrophobicContact CD1-CB 4.22Å; L818-L930 HydrophobicContact CD1-CD2 3.98Å; L818-L930 HydrophobicContact CD1-CG 3.97Å; L818-L930 HydrophobicContact CD2-CB 4.48Å; L818-L930 HydrophobicContact CD2-CD2 3.82Å; L818-L930 HydrophobicContact CG-CD2 4.27Å; E926-L930 PolarHBondContact O-N 3.4Å; E926-L930 VanDerWaalsContact O-N 3.08Å; V927-L930 PolarHBondContact O-N 3.33Å; L930-K932 VanDerWaalsContact C-N 3.34Å; L930-K932 PolarHBondContact O-N 3.13Å; L930-K933 PolarHBondContact O-N 3.31Å; L930-R934 WeakPolarHBondContact O-CB 3.47Å; L930-R934 VanDerWaalsContact O-CG 3.22Å; L930-R934 WeakPolarHBondContact O-CG 3.5Å; L930-R934 PolarHBondContact O-N 3.1Å
931L97.1Very high94.7Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-61.3-39.4175.4-75.7173.8000112.5F817 L818 V821 L874 A877 V878 I881 V927 G928 R934 A935F817-L931 HydrophobicContact CD1-CD2 4.29Å; F817-L931 HydrophobicContact CE1-CD2 4.09Å; L818-L931 HydrophobicContact CB-CD2 4.27Å; L818-L931 HydrophobicContact CD1-CD2 3.5Å; L818-L931 HydrophobicContact CD1-CG 3.78Å; L818-L931 HydrophobicContact CG-CD2 4.49Å; V821-L931 HydrophobicContact CG1-CD2 4.07Å; L874-L931 HydrophobicContact CD2-CD2 3.75Å; A877-L931 HydrophobicContact CB-CD1 4.11Å; V878-L931 HydrophobicContact CG2-CB 3.88Å; I881-L931 HydrophobicContact CD1-CD1 3.54Å; V927-L931 HydrophobicContact CG1-CD1 4.13Å; V927-L931 WeakPolarHBondContact O-CG 3.5Å; V927-L931 PolarHBondContact O-N 2.92Å; G928-L931 PolarHBondContact O-N 3.4Å; L931-R934 PolarHBondContact O-N 3.16Å; L931-A935 WeakPolarHBondContact O-CB 3.4Å; L931-A935 PolarHBondContact O-N 3.2Å
932K96.5Very high94.1Very high84 Ų8449.4 Ų49.437%0.36523%0.229SC..Hα-helixtrans-59.8-49.1174.5-72.1167.8-156.4156.90111.1V878 G928 D929 L930 R934 A935 E936V878-K932 HydrophobicContact CG1-CG 3.98Å; V878-K932 HydrophobicContact CG2-CG 4.07Å; G928-K932 VanDerWaalsContact O-CG 3.26Å; G928-K932 WeakPolarHBondContact O-CG 3Å; G928-K932 PolarHBondContact O-N 2.82Å; D929-K932 IonicContact OD1-NZ 3.8Å; D929-K932 PolarHBondContact OD1-NZ 3.03Å; L930-K932 VanDerWaalsContact C-N 3.34Å; L930-K932 PolarHBondContact O-N 3.13Å; K932-R934 VanDerWaalsContact C-N 3.31Å; K932-R934 PolarHBondContact O-N 3.02Å; K932-A935 WeakPolarHBondContact O-CB 3.32Å; K932-A935 PolarHBondContact O-N 2.95Å; K932-E936 PolarHBondContact O-N 3.16Å
933K95.5Very high93.3Very high110 Ų11046.8 Ų46.848%0.47822%0.222SC..Hα-helixtrans-59.5-42.4176.3-69.9173.1-177.3176.20111.4I600 D929 L930 A935 E936I600-K933 HydrophobicContact CD1-CB 4.05Å; I600-K933 HydrophobicContact CG1-CB 4.49Å; I600-K933 HydrophobicContact CG2-CB 4.37Å; I600-K933 HydrophobicContact CG2-CD 4.31Å; D929-K933 WeakPolarHBondContact O-CG 3.3Å; D929-K933 PolarHBondContact O-N 3.21Å; L930-K933 PolarHBondContact O-N 3.31Å; K933-A935 PolarHBondContact O-N 3.33Å; K933-E936 WeakPolarHBondContact O-CB 3.34Å; K933-E936 PolarHBondContact O-N 3.49Å
934R93.9Very high93Very high1 Ų149.2 Ų49.20%0.00423%0.233CC..Hα-helixtrans-62.1-41.6176.5-70.4-79.8166-140.7-0.5112.1L594 Y595 G598 I600 L825 L930 L931 K932 E936 T937L594-R934 PolarHBondContact O-NH2 3.29Å; L594-R934 VanDerWaalsContact O-NH2 3.15Å; Y595-R934 PolarHBondContact O-NH2 2.93Å; G598-R934 VanDerWaalsContact O-CZ 3.23Å; G598-R934 PolarHBondContact O-NH1 3.1Å; G598-R934 PolarHBondContact O-NH2 3.29Å; I600-R934 HydrophobicContact CD1-CG 4.39Å; L825-R934 HydrophobicContact CD1-CB 4.12Å; L930-R934 WeakPolarHBondContact O-CB 3.47Å; L930-R934 VanDerWaalsContact O-CG 3.22Å; L930-R934 WeakPolarHBondContact O-CG 3.5Å; L930-R934 PolarHBondContact O-N 3.1Å; L931-R934 PolarHBondContact O-N 3.16Å; K932-R934 VanDerWaalsContact C-N 3.31Å; K932-R934 PolarHBondContact O-N 3.02Å; R934-E936 PolarHBondContact O-N 2.87Å; R934-T937 WeakPolarHBondContact O-CB 3.29Å; R934-T937 PolarHBondContact O-N 3.07Å; R934-T937 VanDerWaalsContact O-N 3.07Å; R934-T937 PolarHBondContact O-OG1 3.43Å
935A93.5Very high92.8Very high14 Ų1451.7 Ų51.712%0.11625%0.246CC..Hα-helixtrans-61-33.6176.800000112.6Q871 L874 L931 K932 K933 T937 I938Q871-A935 PolarHBondContact OE1-O 3.44Å; L874-A935 HydrophobicContact CB-CB 4.1Å; L874-A935 HydrophobicContact CD1-CB 3.91Å; L931-A935 WeakPolarHBondContact O-CB 3.4Å; L931-A935 PolarHBondContact O-N 3.2Å; K932-A935 WeakPolarHBondContact O-CB 3.32Å; K932-A935 PolarHBondContact O-N 2.95Å; K933-A935 PolarHBondContact O-N 3.33Å; A935-T937 VanDerWaalsContact C-N 3.27Å; A935-T937 PolarHBondContact O-N 2.92Å; A935-I938 PolarHBondContact O-N 3.24Å
936E92.6Very high92.5Very high125 Ų12550.1 Ų50.158%0.58424%0.238SC*.Hα-helixtrans-64.9-31175.9-66.1179168.600112.8K932 K933 R934 I938 K939K932-E936 PolarHBondContact O-N 3.16Å; K933-E936 WeakPolarHBondContact O-CB 3.34Å; K933-E936 PolarHBondContact O-N 3.49Å; R934-E936 PolarHBondContact O-N 2.87Å; E936-I938 VanDerWaalsContact C-N 3.27Å; E936-I938 PolarHBondContact O-N 3.3Å; E936-K939 WeakPolarHBondContact O-CB 3.48Å; E936-K939 PolarHBondContact O-N 2.9Å
937T91.4Very high92.1Very high18 Ų1851.7 Ų51.711%0.1125%0.246CC..Hα-helixtrans-67.3-24.1-179.573.20000113.4D599 I600 R934 A935 K939 N940D599-T937 VanDerWaalsContact O-CG2 3.23Å; D599-T937 WeakPolarHBondContact O-CG2 3.44Å; I600-T937 HydrophobicContact CG1-CG2 4.3Å; R934-T937 WeakPolarHBondContact O-CB 3.29Å; R934-T937 PolarHBondContact O-N 3.07Å; R934-T937 VanDerWaalsContact O-N 3.07Å; R934-T937 PolarHBondContact O-OG1 3.43Å; A935-T937 VanDerWaalsContact C-N 3.27Å; A935-T937 PolarHBondContact O-N 2.92Å; T937-K939 PolarHBondContact O-N 2.81Å; T937-K939 VanDerWaalsContact O-N 3.13Å; T937-N940 WeakPolarHBondContact O-CB 3.45Å; T937-N940 PolarHBondContact O-N 3.28Å
938I91.4Very high91.8Very high5 Ų554.9 Ų54.93%0.02626%0.261CS..G310 helixtrans-59-29.4178.5-68.3-177.9000111.6L825 L870 Q871 L874 A935 E936 N940 L941L825-I938 HydrophobicContact CD2-CD1 4.02Å; L825-I938 HydrophobicContact CD2-CG1 3.61Å; L870-I938 HydrophobicContact CB-CD1 3.96Å; Q871-I938 HydrophobicContact CB-CD1 4.14Å; Q871-I938 HydrophobicContact CB-CG2 4.45Å; L874-I938 HydrophobicContact CD1-CD1 3.51Å; L874-I938 HydrophobicContact CD1-CG1 4.3Å; A935-I938 PolarHBondContact O-N 3.24Å; E936-I938 VanDerWaalsContact C-N 3.27Å; E936-I938 PolarHBondContact O-N 3.3Å; I938-N940 PolarHBondContact O-N 3.17Å; I938-N940 VanDerWaalsContact O-N 3.11Å; I938-L941 HydrophobicContact CG1-CD1 4.46Å; I938-L941 VanDerWaalsContact O-CB 3.31Å; I938-L941 WeakPolarHBondContact O-CB 3.38Å; I938-L941 PolarHBondContact O-N 3.4Å
939K87.4Confident91.4Very high138 Ų13858.5 Ų58.560%0.628%0.278SS*.G310 helixtrans-56.8-30.5177.5-65.1174.2-175.5167.60112.1E936 T937 L941E936-K939 WeakPolarHBondContact O-CB 3.48Å; E936-K939 PolarHBondContact O-N 2.9Å; T937-K939 PolarHBondContact O-N 2.81Å; T937-K939 VanDerWaalsContact O-N 3.13Å; K939-L941 VanDerWaalsContact C-N 3.29Å; K939-L941 PolarHBondContact O-N 3.1Å
940N85.7Confident91Very high117 Ų11758.4 Ų58.463%0.62628%0.275SS*.G310 helixtrans-75.6-17.7179.6-60.4-24000113R836 T937 I938R836-N940 PolarHBondContact NH2-O 2.77Å; T937-N940 WeakPolarHBondContact O-CB 3.45Å; T937-N940 PolarHBondContact O-N 3.28Å; I938-N940 PolarHBondContact O-N 3.17Å; I938-N940 VanDerWaalsContact O-N 3.11Å
941L88Confident90.5Very high8 Ų862.2 Ų62.24%0.04229%0.293CS..G310 helixtrans-82.4-9.5-177.9-56.2-178.6000113.6L825 A828 A832 F863 T867 I938 K939 I943L825-L941 HydrophobicContact CD2-CD1 4.11Å; A828-L941 HydrophobicContact CB-CD1 3.98Å; A832-L941 HydrophobicContact CB-CD2 4.46Å; F863-L941 VanDerWaalsContact CE1-O 3.32Å; F863-L941 WeakPolarHBondContact CE1-O 3.35Å; F863-L941 HydrophobicContact CZ-CB 4.44Å; T867-L941 HydrophobicContact CG2-CB 3.93Å; T867-L941 HydrophobicContact CG2-CD1 4.46Å; I938-L941 HydrophobicContact CG1-CD1 4.46Å; I938-L941 VanDerWaalsContact O-CB 3.31Å; I938-L941 WeakPolarHBondContact O-CB 3.38Å; I938-L941 PolarHBondContact O-N 3.4Å; K939-L941 VanDerWaalsContact C-N 3.29Å; K939-L941 PolarHBondContact O-N 3.1Å; L941-I943 PolarHBondContact O-N 2.96Å
942K83.6Confident90Very high150 Ų15067.4 Ų67.465%0.65232%0.317SS*.  trans-64.5127.7-177.7-66.6-176.1176.8-176.60111.7R836R836-K942 PolarHBondContact NH2-O 3.47Å
943I80.4Confident89.4Confident39 Ų3965.9 Ų65.920%0.231%0.313CS..  trans-122.10-178.561.6169.6000114.9A832 L835 R836 K839 V860 F863 Q864 L941A832-I943 HydrophobicContact CB-CG2 3.93Å; L835-I943 HydrophobicContact CB-CD1 3.8Å; L835-I943 HydrophobicContact CD1-CD1 4.05Å; R836-I943 HydrophobicContact CB-CG2 4.04Å; K839-I943 PolarHBondContact NZ-O 3Å; K839-I943 PolarHBondContact NZ-OXT 3.39Å; V860-I943 HydrophobicContact CG1-CD1 3.94Å; V860-I943 HydrophobicContact CG1-CG1 4.36Å; F863-I943 HydrophobicContact CB-CD1 4.38Å; F863-I943 HydrophobicContact CD1-CD1 3.35Å; F863-I943 HydrophobicContact CD1-CG1 3.67Å; F863-I943 HydrophobicContact CE1-CD1 3.94Å; F863-I943 HydrophobicContact CE1-CG1 4.02Å; F863-I943 HydrophobicContact CE1-CG2 4.2Å; F863-I943 HydrophobicContact CG-CD1 4.15Å; Q864-I943 PolarHBondContact NE2-O 3Å; L941-I943 PolarHBondContact O-N 2.96Å

Retrieved 943 of 943 residues in 2496.3 ms (Link to these results)

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