G4LYV0_SCHMA Loading...

RAP domain-containing protein

AlphaFold DB , UniProt , Accession G4LYV0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 610 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
1M44.6Very low74.4Confident154 Ų154108.1 Ų108.176%0.75954%0.541SS*.  0117.10-82.6-173177.200107.6R3M1-R3 PolarHBondContact O-N 2.79Å
2D46.1Very low76.2Confident145 Ų145110.3 Ų110.378%0.77554%0.544SS*.  trans-50.4109168.5-123.4-18.4000108.4S4D2-S4 PolarHBondContact O-N 3.4Å
3R48.7Very low77.8Confident230 Ų230108.5 Ų108.587%0.86853%0.529SS*.  trans-73.382.6166.2-76.8-174.1-176.3-178.73.6105M1 Q5M1-R3 PolarHBondContact O-N 2.79Å; R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 2.95Å
4S57.2Low79.1Confident55 Ų55100.9 Ų100.939%0.38549%0.492SS..  trans-53.2106.8162.661.60000105.5D2 V6D2-S4 PolarHBondContact O-N 3.4Å; S4-V6 VanDerWaalsContact C-N 3.31Å; S4-V6 PolarHBondContact O-N 3.41Å
5Q70.7Confident80.2Confident181 Ų18199.1 Ų99.185%0.84649%0.485SS*.  trans-64.598.6-178.7-78.6-172.9-6.100106.8R3 T7R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 2.95Å; Q5-T7 PolarHBondContact O-N 2.9Å; Q5-T7 VanDerWaalsContact O-N 3.07Å
6V85.7Confident81.1Confident32 Ų3298 Ų9819%0.19448%0.482CS..  trans-62.1115.3174-176.30000106.4S4 T10 V11 I48 H51 V54S4-V6 VanDerWaalsContact C-N 3.31Å; S4-V6 PolarHBondContact O-N 3.41Å; V6-T10 HydrophobicContact CG1-CG2 3.86Å; V6-V11 HydrophobicContact CB-CG2 4.48Å; V6-V11 HydrophobicContact CG1-CG2 3.75Å; V6-I48 HydrophobicContact CG1-CB 4.38Å; V6-I48 HydrophobicContact CG1-CG2 4.45Å; V6-I48 HydrophobicContact CG2-CB 4.21Å; V6-I48 HydrophobicContact CG2-CG2 4.3Å; V6-H51 HydrophobicContact CB-CB 4.34Å; V6-H51 HydrophobicContact CG2-CB 4.03Å; V6-V54 HydrophobicContact CG1-CG2 4.38Å
7T91.1Very high82Confident71 Ų7195.1 Ų95.144%0.43646%0.464SS..  trans-64.8151.2-174.3710000110.5Q5 S9 T10 V11Q5-T7 PolarHBondContact O-N 2.9Å; Q5-T7 VanDerWaalsContact O-N 3.07Å; T7-S9 PolarHBondContact O-N 2.69Å; T7-S9 PolarHBondContact OG1-OG 3.44Å; T7-T10 WeakPolarHBondContact O-CB 3.23Å; T7-T10 PolarHBondContact O-N 2.75Å; T7-T10 VanDerWaalsContact O-N 3.09Å; T7-T10 PolarHBondContact OG1-N 3.21Å; T7-T10 VanDerWaalsContact OG1-N 3.15Å; T7-T10 PolarHBondContact OG1-OG1 3Å; T7-V11 PolarHBondContact O-N 2.95Å
8K92.2Very high82.6Confident197 Ų19791 Ų9186%0.85745%0.446SS*.Hα-helixtrans-57.7-33176.2-70.4-176.9179.8177.70112V11 K12K8-V11 PolarHBondContact O-N 2.66Å; K8-K12 VanDerWaalsContact O-CB 3.3Å; K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 2.85Å
9S93.8Very high83.1Confident84 Ų8493.9 Ų93.959%0.58746%0.458SS*.Hα-helixtrans-66.6-42.9175.848.50000111.7T7 K12 Y13T7-S9 PolarHBondContact O-N 2.69Å; T7-S9 PolarHBondContact OG1-OG 3.44Å; S9-K12 PolarHBondContact O-N 3.22Å; S9-Y13 PolarHBondContact O-N 2.98Å
10T94.1Very high83.7Confident27 Ų2791.9 Ų91.917%0.16645%0.453CS..Hα-helixtrans-59.3-48.6172.9-53.70000110.9V6 T7 K12 Y13 Y14 I48V6-T10 HydrophobicContact CG1-CG2 3.86Å; T7-T10 WeakPolarHBondContact O-CB 3.23Å; T7-T10 PolarHBondContact O-N 2.75Å; T7-T10 VanDerWaalsContact O-N 3.09Å; T7-T10 PolarHBondContact OG1-N 3.21Å; T7-T10 VanDerWaalsContact OG1-N 3.15Å; T7-T10 PolarHBondContact OG1-OG1 3Å; T10-K12 PolarHBondContact O-N 3.43Å; T10-Y13 WeakPolarHBondContact O-CB 3.27Å; T10-Y13 PolarHBondContact O-N 2.87Å; T10-Y14 HydrophobicContact CG2-CD2 4.12Å; T10-Y14 HydrophobicContact CG2-CE2 3.74Å; T10-Y14 WeakPolarHBondContact O-CD2 3.45Å; T10-Y14 PolarHBondContact O-N 3.25Å; T10-I48 HydrophobicContact CG2-CD1 4.16Å; T10-I48 HydrophobicContact CG2-CG2 4.34Å
11V94.5Very high84Confident13 Ų1388.2 Ų88.28%0.07944%0.435CS..Hα-helixtrans-60-45.6178.2179.90000111.4V6 T7 K8 Y13 Y14 L15 Q53 V54V6-V11 HydrophobicContact CB-CG2 4.48Å; V6-V11 HydrophobicContact CG1-CG2 3.75Å; T7-V11 PolarHBondContact O-N 2.95Å; K8-V11 PolarHBondContact O-N 2.66Å; V11-Y13 VanDerWaalsContact C-N 3.29Å; V11-Y13 PolarHBondContact O-N 3.03Å; V11-Y14 PolarHBondContact O-N 3.45Å; V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.97Å; V11-L15 VanDerWaalsContact O-N 3.07Å; V11-Q53 HydrophobicContact CG1-CB 4.22Å; V11-V54 HydrophobicContact CB-CG2 4.5Å; V11-V54 HydrophobicContact CG2-CG2 4.09Å
12K95.5Very high86Confident134 Ų13485.9 Ų85.958%0.58343%0.434SS*.Hα-helixtrans-60.4-38.1177.7-174.1175.3-178.9179.30111.9K8 S9 T10 N16K8-K12 VanDerWaalsContact O-CB 3.3Å; K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 2.85Å; S9-K12 PolarHBondContact O-N 3.22Å; T10-K12 PolarHBondContact O-N 3.43Å; K12-N16 WeakPolarHBondContact O-CB 3.24Å; K12-N16 PolarHBondContact O-N 3.46Å; K12-N16 PolarHBondContact O-OD1 3.45Å
13Y96.7Very high88.2Confident88 Ų8883 Ų8335%0.34543%0.425SS..Hα-helixtrans-57.6-55.2175.3172.5-95.1000111.3S9 T10 V11 L15 N16 R17 A40S9-Y13 PolarHBondContact O-N 2.98Å; T10-Y13 WeakPolarHBondContact O-CB 3.27Å; T10-Y13 PolarHBondContact O-N 2.87Å; V11-Y13 VanDerWaalsContact C-N 3.29Å; V11-Y13 PolarHBondContact O-N 3.03Å; Y13-L15 PolarHBondContact O-N 3.09Å; Y13-N16 WeakPolarHBondContact O-CB 3.48Å; Y13-N16 PolarHBondContact O-N 2.93Å; Y13-N16 VanDerWaalsContact O-N 3.17Å; Y13-R17 HydrophobicContact CD1-CG 4.23Å; Y13-R17 HydrophobicContact CE1-CG 3.83Å; Y13-R17 HydrophobicContact CE2-CG 4.26Å; Y13-R17 WeakPolarHBondContact O-CG 3.35Å; Y13-R17 PolarHBondContact O-N 3.35Å; Y13-A40 HydrophobicContact CE1-CB 3.83Å; Y13-A40 WeakPolarHBondContact OH-CB 3.37Å
14Y96.6Very high90.2Very high2 Ų272.7 Ų72.71%0.00839%0.388CS..Hα-helixtrans-65.8-36.4-178.1-70.8-80.8000113.4T10 V11 N16 R17 V18 T37 F41 D44 I48 V54 L58T10-Y14 HydrophobicContact CG2-CD2 4.12Å; T10-Y14 HydrophobicContact CG2-CE2 3.74Å; T10-Y14 WeakPolarHBondContact O-CD2 3.45Å; T10-Y14 PolarHBondContact O-N 3.25Å; V11-Y14 PolarHBondContact O-N 3.45Å; Y14-N16 VanDerWaalsContact C-N 3.34Å; Y14-R17 PolarHBondContact O-N 3.32Å; Y14-V18 PolarHBondContact O-N 2.76Å; Y14-V18 VanDerWaalsContact O-N 3.15Å; Y14-T37 HydrophobicContact CD1-CG2 4.08Å; Y14-T37 HydrophobicContact CE1-CG2 4.04Å; Y14-F41 HydrophobicContact CE1-CB 4.26Å; Y14-F41 WeakPolarHBondContact OH-CA 3.45Å; Y14-F41 PolarHBondContact OH-N 3.07Å; Y14-F41 VanDerWaalsContact OH-N 3.13Å; Y14-D44 WeakPolarHBondContact CE2-OD2 3.47Å; Y14-D44 PolarHBondContact OH-OD2 3.48Å; Y14-I48 HydrophobicContact CD2-CD1 3.99Å; Y14-I48 HydrophobicContact CE1-CD1 4.25Å; Y14-I48 HydrophobicContact CE2-CD1 3.15Å; Y14-I48 WeakPolarHBondContact OH-CD1 3.36Å; Y14-V54 HydrophobicContact CD1-CG1 4.45Å; Y14-V54 HydrophobicContact CD2-CG1 3.89Å; Y14-V54 HydrophobicContact CD2-CG2 4.3Å; Y14-V54 HydrophobicContact CE2-CG1 4.39Å; Y14-V54 HydrophobicContact CG-CG1 3.98Å; Y14-L58 HydrophobicContact CD1-CD2 4.02Å; Y14-L58 HydrophobicContact CE1-CD2 4Å
15L94.9Very high91.7Very high73 Ų7376.2 Ų76.238%0.38241%0.407SS..Hα-helixtrans-59.5-46.2172.5-74.8168.7000111.3V11 Y13 R17 V18 H19V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 2.97Å; V11-L15 VanDerWaalsContact O-N 3.07Å; Y13-L15 PolarHBondContact O-N 3.09Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 2.69Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-H19 PolarHBondContact O-N 3.48Å
16N95.7Very high92.8Very high82 Ų8271.4 Ų71.444%0.43939%0.387SS..Hα-helixtrans-63.3-39.4177.1-71.6-7.1000111.7K12 Y13 Y14 V18 H19 C20K12-N16 WeakPolarHBondContact O-CB 3.24Å; K12-N16 PolarHBondContact O-N 3.46Å; K12-N16 PolarHBondContact O-OD1 3.45Å; Y13-N16 WeakPolarHBondContact O-CB 3.48Å; Y13-N16 PolarHBondContact O-N 2.93Å; Y13-N16 VanDerWaalsContact O-N 3.17Å; Y14-N16 VanDerWaalsContact C-N 3.34Å; N16-V18 PolarHBondContact O-N 3.1Å; N16-H19 PolarHBondContact O-N 2.95Å; N16-C20 WeakPolarHBondContact O-CB 3.34Å; N16-C20 PolarHBondContact O-N 3.25Å; N16-C20 PolarHBondContact O-SG 3.46Å
17R95.2Very high93.1Very high48 Ų4876 Ų7618%0.18141%0.409CS..Hα-helixtrans-58.2-47.1177.1-65.3-61.3-69.5172.5-2.4111.4Y13 Y14 L15 C20 L21 F33 T37Y13-R17 HydrophobicContact CD1-CG 4.23Å; Y13-R17 HydrophobicContact CE1-CG 3.83Å; Y13-R17 HydrophobicContact CE2-CG 4.26Å; Y13-R17 WeakPolarHBondContact O-CG 3.35Å; Y13-R17 PolarHBondContact O-N 3.35Å; Y14-R17 PolarHBondContact O-N 3.32Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 2.69Å; R17-C20 PolarHBondContact O-N 3.11Å; R17-L21 PolarHBondContact O-N 2.92Å; R17-F33 HydrophobicContact CB-CE1 4.24Å; R17-F33 HydrophobicContact CB-CZ 4.24Å; R17-F33 VanDerWaalsContact NH2-CD2 3.31Å; R17-F33 VanDerWaalsContact NH2-CG 3.34Å; R17-F33 PolarHBondContact NH2-O 2.95Å; R17-F33 WeakPolarHBondContact O-CE1 3.43Å; R17-F33 WeakPolarHBondContact O-CZ 3.44Å; R17-T37 HydrophobicContact CB-CG2 4.07Å; R17-T37 HydrophobicContact CG-CG2 3.97Å; R17-T37 PolarHBondContact NE-OG1 3.09Å; R17-T37 PolarHBondContact NH2-OG1 3.12Å
18V93.2Very high93.2Very high22 Ų2280.2 Ų80.213%0.13342%0.421CS..Hα-helixtrans-67.8-41.8179.3173.40000112Y14 L15 N16 C20 L21 C57 E60 L61Y14-V18 PolarHBondContact O-N 2.76Å; Y14-V18 VanDerWaalsContact O-N 3.15Å; L15-V18 PolarHBondContact O-N 3.37Å; N16-V18 PolarHBondContact O-N 3.1Å; V18-C20 VanDerWaalsContact C-N 3.31Å; V18-C20 PolarHBondContact O-N 3.45Å; V18-L21 VanDerWaalsContact O-CB 3.3Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.44Å; V18-L21 VanDerWaalsContact O-N 3.12Å; V18-C57 HydrophobicContact CG2-CB 3.54Å; V18-C57 VanDerWaalsContact CG2-O 3.3Å; V18-C57 WeakPolarHBondContact CG2-O 3.28Å; V18-E60 HydrophobicContact CG1-CB 4.14Å; V18-E60 WeakPolarHBondContact CG1-OE2 3.28Å; V18-L61 HydrophobicContact CG2-CD2 3.96Å; V18-L61 HydrophobicContact CG2-CG 4.32Å
19H93.1Very high93.2Very high146 Ų14676.1 Ų76.168%0.67641%0.405SS*.Hα-helixtrans-57.3-45.5174.9-178-82.7000111.6L15 N16 L21 S22L15-H19 PolarHBondContact O-N 3.48Å; N16-H19 PolarHBondContact O-N 2.95Å; H19-L21 VanDerWaalsContact C-N 3.31Å; H19-L21 PolarHBondContact O-N 3.39Å; H19-S22 PolarHBondContact O-OG 2.7Å
20C93.7Very high93.3Very high53 Ų5374.2 Ų74.236%0.35839%0.387SS..Hα-helixtrans-67.4-26.5177.5-70.10000113.6N16 R17 V18 S22 S23 F33N16-C20 WeakPolarHBondContact O-CB 3.34Å; N16-C20 PolarHBondContact O-N 3.25Å; N16-C20 PolarHBondContact O-SG 3.46Å; R17-C20 PolarHBondContact O-N 3.11Å; V18-C20 VanDerWaalsContact C-N 3.31Å; V18-C20 PolarHBondContact O-N 3.45Å; C20-S22 PolarHBondContact O-N 3.3Å; C20-S23 PolarHBondContact O-N 3.01Å; C20-S23 PolarHBondContact O-OG 3.2Å; C20-F33 HydrophobicContact CB-CE2 4.09Å; C20-F33 HydrophobicContact CB-CZ 3.78Å
21L91.7Very high93.3Very high15 Ų1574.3 Ų74.38%0.07939%0.386CS..Hα-helixtrans-55.9-37.9179.9-173.572.4000111.9R17 V18 H19 S23 V24 K30 F33 I34 L61R17-L21 PolarHBondContact O-N 2.92Å; V18-L21 VanDerWaalsContact O-CB 3.3Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.44Å; V18-L21 VanDerWaalsContact O-N 3.12Å; H19-L21 VanDerWaalsContact C-N 3.31Å; H19-L21 PolarHBondContact O-N 3.39Å; L21-S23 PolarHBondContact O-N 3.48Å; L21-V24 PolarHBondContact O-N 3.27Å; L21-K30 HydrophobicContact CD1-CD 4.2Å; L21-K30 HydrophobicContact CD1-CG 3.68Å; L21-F33 HydrophobicContact CB-CE1 4.42Å; L21-F33 HydrophobicContact CD1-CD1 3.96Å; L21-F33 HydrophobicContact CD1-CE1 4.32Å; L21-I34 HydrophobicContact CD1-CD1 4.17Å; L21-I34 HydrophobicContact CD1-CG1 3.94Å; L21-L61 HydrophobicContact CD1-CD2 4.5Å; L21-L61 HydrophobicContact CD2-CD2 3.91Å
22S86.4Confident93.3Very high105 Ų10578.2 Ų78.273%0.73441%0.407SS*.THydrogen-bonded Turntrans-63-25.3179.2680000114H19 C20H19-S22 PolarHBondContact O-OG 2.7Å; C20-S22 PolarHBondContact O-N 3.3Å
23S90.6Very high93.4Very high85 Ų8573.1 Ų73.159%0.59439%0.385SS*.THydrogen-bonded Turntrans-87.5-13.1178.259.60000114.2C20 L21 T25C20-S23 PolarHBondContact O-N 3.01Å; C20-S23 PolarHBondContact O-OG 3.2Å; L21-S23 PolarHBondContact O-N 3.48Å; S23-T25 PolarHBondContact O-N 3.4Å
24V90.7Very high93.4Very high13 Ų1369 Ų698%0.07937%0.368CS..  trans-85.3108.6179.4-172.50000109.4L21 E29 K30 F33L21-V24 PolarHBondContact O-N 3.27Å; V24-E29 HydrophobicContact CG1-CB 3.85Å; V24-E29 HydrophobicContact CG1-CG 3.77Å; V24-K30 HydrophobicContact CB-CB 4.48Å; V24-K30 HydrophobicContact CG1-CB 3.87Å; V24-K30 WeakPolarHBondContact O-CE 3.46Å; V24-F33 HydrophobicContact CG2-CD2 4.26Å; V24-F33 HydrophobicContact CG2-CG 4.49Å
25T90.3Very high93.4Very high130 Ų13070 Ų7080%0.79837%0.374SS*.  trans-91.3-36-176.853.60000112.8S23S23-T25 PolarHBondContact O-N 3.4Å
26D93.4Very high93.5Very high80 Ų8070.9 Ų70.943%0.42838%0.379SS..SBendtrans-71.6133.3179178.664.3000111.8K28 E29 K30D26-K28 WeakPolarHBondContact OD2-CA 3.4Å; D26-K28 WeakPolarHBondContact OD2-CB 3.21Å; D26-K28 PolarHBondContact OD2-N 3.26Å; D26-E29 HydrophobicContact CB-CB 3.94Å; D26-E29 PolarHBondContact OD2-N 2.97Å; D26-K30 WeakPolarHBondContact O-CB 3.41Å; D26-K30 PolarHBondContact O-N 3.49Å
27I91.7Very high93.6Very high127 Ų12767 Ų6765%0.65136%0.358SS*.Hα-helixtrans-68.4-39.2-174.6-63167.4000111K30 N31I27-K30 PolarHBondContact O-N 3.38Å; I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 3.18Å; I27-N31 PolarHBondContact O-ND2 3.36Å
28K92.2Very high93.7Very high160 Ų16064.7 Ų64.770%0.69635%0.349SS*.Hα-helixtrans-71.2-44.2-179.5-66.3-178.4179.4179.50110.6D26 K30 N31 N32D26-K28 WeakPolarHBondContact OD2-CA 3.4Å; D26-K28 WeakPolarHBondContact OD2-CB 3.21Å; D26-K28 PolarHBondContact OD2-N 3.26Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.46Å; K28-N31 PolarHBondContact O-N 3.46Å; K28-N32 WeakPolarHBondContact O-CB 3.41Å; K28-N32 PolarHBondContact O-N 2.87Å; K28-N32 PolarHBondContact O-ND2 3.5Å
29E94Very high93.9Very high111 Ų11167 Ų6752%0.51936%0.361SS..Hα-helixtrans-59.1-42.7173.5-169.1-177.217700110.9V24 D26 N32 F33V24-E29 HydrophobicContact CG1-CB 3.85Å; V24-E29 HydrophobicContact CG1-CG 3.77Å; D26-E29 HydrophobicContact CB-CB 3.94Å; D26-E29 PolarHBondContact OD2-N 2.97Å; E29-N32 PolarHBondContact O-N 3.46Å; E29-F33 WeakPolarHBondContact O-CB 3.48Å; E29-F33 PolarHBondContact O-N 3.12Å
30K94.9Very high94Very high45 Ų4561 Ų6120%0.19634%0.336CS..Hα-helixtrans-61.7-45.2176.4-168.5-178.6-70.4-176.40111.8L21 V24 D26 I27 K28 F33 I34 D64L21-K30 HydrophobicContact CD1-CD 4.2Å; L21-K30 HydrophobicContact CD1-CG 3.68Å; V24-K30 HydrophobicContact CB-CB 4.48Å; V24-K30 HydrophobicContact CG1-CB 3.87Å; V24-K30 WeakPolarHBondContact O-CE 3.46Å; D26-K30 WeakPolarHBondContact O-CB 3.41Å; D26-K30 PolarHBondContact O-N 3.49Å; I27-K30 PolarHBondContact O-N 3.38Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.46Å; K30-F33 WeakPolarHBondContact O-CB 3.29Å; K30-F33 PolarHBondContact O-N 3.44Å; K30-I34 HydrophobicContact CG-CD1 4.16Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.98Å; K30-D64 HydrophobicContact CD-CB 3.7Å; K30-D64 WeakPolarHBondContact CD-OD1 3.44Å; K30-D64 HydrophobicContact CG-CB 4.44Å; K30-D64 IonicContact NZ-OD1 2.98Å; K30-D64 PolarHBondContact NZ-OD1 3.24Å
31N94.1Very high94.2Very high29 Ų2958.4 Ų58.416%0.15532%0.319CS..Hα-helixtrans-61.2-47.4175.6-72.1-24.4000111.8I27 K28 F33 I34 L35I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 3.18Å; I27-N31 PolarHBondContact O-ND2 3.36Å; K28-N31 PolarHBondContact O-N 3.46Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 2.81Å; N31-I34 PolarHBondContact O-N 3.31Å; N31-L35 WeakPolarHBondContact O-CB 3.42Å; N31-L35 PolarHBondContact O-N 2.72Å
32N95.2Very high94.4Very high95 Ų9561.1 Ų61.151%0.50833%0.331SS..Hα-helixtrans-60.6-39.4175.9-72.7-21.7000111.7K28 E29 L35 N36K28-N32 WeakPolarHBondContact O-CB 3.41Å; K28-N32 PolarHBondContact O-N 2.87Å; K28-N32 PolarHBondContact O-ND2 3.5Å; E29-N32 PolarHBondContact O-N 3.46Å; N32-L35 PolarHBondContact O-N 3.06Å; N32-N36 VanDerWaalsContact O-CB 3.27Å; N32-N36 WeakPolarHBondContact O-CB 3.45Å; N32-N36 PolarHBondContact O-N 3.16Å; N32-N36 PolarHBondContact O-ND2 3.08Å; N32-N36 VanDerWaalsContact O-ND2 3.13Å
33F96.2Very high94.8Very high27 Ų2765 Ų6512%0.11834%0.335CS..Hα-helixtrans-62.8-44.4176.8-176.1-81.6000111.4R17 C20 L21 V24 E29 K30 N31 T37R17-F33 HydrophobicContact CB-CE1 4.24Å; R17-F33 HydrophobicContact CB-CZ 4.24Å; R17-F33 VanDerWaalsContact NH2-CD2 3.31Å; R17-F33 VanDerWaalsContact NH2-CG 3.34Å; R17-F33 PolarHBondContact NH2-O 2.95Å; R17-F33 WeakPolarHBondContact O-CE1 3.43Å; R17-F33 WeakPolarHBondContact O-CZ 3.44Å; C20-F33 HydrophobicContact CB-CE2 4.09Å; C20-F33 HydrophobicContact CB-CZ 3.78Å; L21-F33 HydrophobicContact CB-CE1 4.42Å; L21-F33 HydrophobicContact CD1-CD1 3.96Å; L21-F33 HydrophobicContact CD1-CE1 4.32Å; V24-F33 HydrophobicContact CG2-CD2 4.26Å; V24-F33 HydrophobicContact CG2-CG 4.49Å; E29-F33 WeakPolarHBondContact O-CB 3.48Å; E29-F33 PolarHBondContact O-N 3.12Å; K30-F33 WeakPolarHBondContact O-CB 3.29Å; K30-F33 PolarHBondContact O-N 3.44Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 2.81Å; F33-T37 PolarHBondContact O-N 3.33Å; F33-T37 VanDerWaalsContact O-N 3.11Å; F33-T37 PolarHBondContact O-OG1 3.27Å
34I97.3Very high95Very high0 Ų064.3 Ų64.30%032%0.324CS..Hα-helixtrans-65.9-48177.2-66.7166.8000110.3L21 K30 N31 N36 T37 F38 L61 D64 A65 C69L21-I34 HydrophobicContact CD1-CD1 4.17Å; L21-I34 HydrophobicContact CD1-CG1 3.94Å; K30-I34 HydrophobicContact CG-CD1 4.16Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.98Å; N31-I34 PolarHBondContact O-N 3.31Å; I34-N36 PolarHBondContact O-N 3.49Å; I34-T37 WeakPolarHBondContact O-CA 3.41Å; I34-T37 WeakPolarHBondContact O-CB 3.48Å; I34-T37 PolarHBondContact O-N 3.43Å; I34-F38 HydrophobicContact CG2-CD2 3.97Å; I34-F38 HydrophobicContact CG2-CE2 3.53Å; I34-F38 HydrophobicContact CG2-CZ 3.97Å; I34-F38 PolarHBondContact O-N 3.44Å; I34-L61 HydrophobicContact CG2-CB 4.34Å; I34-D64 HydrophobicContact CD1-CB 3.72Å; I34-A65 HydrophobicContact CD1-CB 4.45Å; I34-A65 HydrophobicContact CG2-CB 3.94Å; I34-C69 HydrophobicContact CG2-CB 3.98Å
35L96.9Very high95.1Very high25 Ų2564.8 Ų64.813%0.13133%0.332CS..Hα-helixtrans-57.6-46.8178.5-175.760.4000111.9N31 N32 T37 F38 L39 F72N31-L35 WeakPolarHBondContact O-CB 3.42Å; N31-L35 PolarHBondContact O-N 2.72Å; N32-L35 PolarHBondContact O-N 3.06Å; L35-T37 PolarHBondContact O-N 3.42Å; L35-F38 CarbonylContact O-C 3.5Å; L35-F38 PolarHBondContact O-N 3.49Å; L35-F38 VanDerWaalsContact O-N 3.08Å; L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.14Å; L35-F72 HydrophobicContact CD1-CB 4.27Å; L35-F72 HydrophobicContact CD1-CD1 4.25Å; L35-F72 HydrophobicContact CD1-CG 4.22Å
36N96.9Very high95.3Very high90 Ų9060 Ų6048%0.48130%0.299SS..Hα-helixtrans-59.8-34.1175.2-76.3-29.5000112.6N32 I34 L39 A40N32-N36 VanDerWaalsContact O-CB 3.27Å; N32-N36 WeakPolarHBondContact O-CB 3.45Å; N32-N36 PolarHBondContact O-N 3.16Å; N32-N36 PolarHBondContact O-ND2 3.08Å; N32-N36 VanDerWaalsContact O-ND2 3.13Å; I34-N36 PolarHBondContact O-N 3.49Å; N36-L39 PolarHBondContact O-N 3.45Å; N36-A40 PolarHBondContact O-N 2.89Å
37T97.2Very high95.3Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-70.2-39175.4-48.50000111.4Y14 R17 F33 I34 L35 A40 F41 L61Y14-T37 HydrophobicContact CD1-CG2 4.08Å; Y14-T37 HydrophobicContact CE1-CG2 4.04Å; R17-T37 HydrophobicContact CB-CG2 4.07Å; R17-T37 HydrophobicContact CG-CG2 3.97Å; R17-T37 PolarHBondContact NE-OG1 3.09Å; R17-T37 PolarHBondContact NH2-OG1 3.12Å; F33-T37 PolarHBondContact O-N 3.33Å; F33-T37 VanDerWaalsContact O-N 3.11Å; F33-T37 PolarHBondContact O-OG1 3.27Å; I34-T37 WeakPolarHBondContact O-CA 3.41Å; I34-T37 WeakPolarHBondContact O-CB 3.48Å; I34-T37 PolarHBondContact O-N 3.43Å; L35-T37 PolarHBondContact O-N 3.42Å; T37-A40 PolarHBondContact O-N 3.2Å; T37-F41 PolarHBondContact O-N 3.47Å; T37-L61 HydrophobicContact CG2-CD1 3.55Å
38F97.4Very high95.5Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-71.1-31.7174.3-65.5-31.8000112.9I34 L35 F41 Q42 L58 L61 A65 C69 F72 L73 I76I34-F38 HydrophobicContact CG2-CD2 3.97Å; I34-F38 HydrophobicContact CG2-CE2 3.53Å; I34-F38 HydrophobicContact CG2-CZ 3.97Å; I34-F38 PolarHBondContact O-N 3.44Å; L35-F38 CarbonylContact O-C 3.5Å; L35-F38 PolarHBondContact O-N 3.49Å; L35-F38 VanDerWaalsContact O-N 3.08Å; F38-F41 WeakPolarHBondContact O-CB 3.41Å; F38-F41 PolarHBondContact O-N 3.02Å; F38-Q42 PolarHBondContact O-N 3.38Å; F38-L58 HydrophobicContact CD1-CD2 4.14Å; F38-L58 HydrophobicContact CE1-CD2 4.05Å; F38-L61 HydrophobicContact CE1-CB 4.41Å; F38-L61 HydrophobicContact CE1-CD1 4.09Å; F38-L61 HydrophobicContact CZ-CB 4.21Å; F38-A65 HydrophobicContact CE2-CB 4.45Å; F38-C69 HydrophobicContact CD2-CB 4.1Å; F38-C69 WeakPolarHBondContact CD2-O 3.43Å; F38-C69 HydrophobicContact CE2-CB 3.96Å; F38-F72 HydrophobicContact CB-CD1 3.73Å; F38-F72 HydrophobicContact CB-CE1 4.05Å; F38-L73 HydrophobicContact CD1-CD1 4.24Å; F38-L73 HydrophobicContact CD2-CB 4.16Å; F38-L73 HydrophobicContact CE1-CD1 4.19Å; F38-L73 HydrophobicContact CE1-CD2 4.18Å; F38-L73 HydrophobicContact CE2-CB 4.08Å; F38-L73 HydrophobicContact CE2-CD2 4.34Å; F38-L73 HydrophobicContact CG-CB 4.5Å; F38-L73 HydrophobicContact CZ-CB 4.36Å; F38-L73 HydrophobicContact CZ-CD2 3.87Å; F38-L73 HydrophobicContact CZ-CG 4.5Å; F38-I76 HydrophobicContact CB-CD1 4.5Å; F38-I76 WeakPolarHBondContact O-CD1 3.44Å
39L97.2Very high95.6Very high72 Ų7244.4 Ų44.438%0.37723%0.226SC..Hα-helixtrans-62.6-43.5170.5-75.7164.4000111.2L35 N36 F41 Q42 K43 F72L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CG 3.26Å; L35-L39 PolarHBondContact O-N 3.14Å; N36-L39 PolarHBondContact O-N 3.45Å; L39-F41 VanDerWaalsContact C-N 3.34Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 3.25Å; L39-K43 PolarHBondContact O-N 2.72Å; L39-F72 HydrophobicContact CD2-CE1 3.95Å; L39-F72 HydrophobicContact CD2-CE2 4.11Å; L39-F72 HydrophobicContact CD2-CZ 3.45Å; L39-F72 VanDerWaalsContact CD2-CZ 3.45Å; L39-F72 HydrophobicContact CG-CE1 4.09Å; L39-F72 HydrophobicContact CG-CZ 4.11Å
40A96.6Very high95.7Very high18 Ų1841.1 Ų41.115%0.14921%0.211CC..Hα-helixtrans-61.1-43.1171.900000111.6Y13 N36 T37 Q42 K43 D44Y13-A40 HydrophobicContact CE1-CB 3.83Å; Y13-A40 WeakPolarHBondContact OH-CB 3.37Å; N36-A40 PolarHBondContact O-N 2.89Å; T37-A40 PolarHBondContact O-N 3.2Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.24Å; A40-K43 WeakPolarHBondContact O-CB 3.46Å; A40-K43 PolarHBondContact O-N 3.25Å; A40-K43 VanDerWaalsContact O-N 3.1Å; A40-D44 PolarHBondContact O-N 3.2Å
41F96.6Very high95.7Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-59.7-39.8175174.8-127.1000113Y14 T37 F38 L39 K43 G45 W46 I48 A49 L58 L73 I76 L77 L93Y14-F41 HydrophobicContact CE1-CB 4.26Å; Y14-F41 WeakPolarHBondContact OH-CA 3.45Å; Y14-F41 PolarHBondContact OH-N 3.07Å; Y14-F41 VanDerWaalsContact OH-N 3.13Å; T37-F41 PolarHBondContact O-N 3.47Å; F38-F41 WeakPolarHBondContact O-CB 3.41Å; F38-F41 PolarHBondContact O-N 3.02Å; L39-F41 VanDerWaalsContact C-N 3.34Å; F41-K43 VanDerWaalsContact C-N 3.34Å; F41-G45 CarbonylContact O-C 3.54Å; F41-G45 PolarHBondContact O-N 3.37Å; F41-G45 VanDerWaalsContact O-N 3.15Å; F41-W46 HydrophobicContact CE2-CB 4.39Å; F41-W46 WeakPolarHBondContact CE2-O 3.47Å; F41-W46 HydrophobicContact CZ-CB 3.92Å; F41-I48 HydrophobicContact CD2-CD1 3.71Å; F41-I48 HydrophobicContact CD2-CG1 3.57Å; F41-I48 HydrophobicContact CE2-CD1 4.26Å; F41-I48 HydrophobicContact CE2-CG1 3.6Å; F41-A49 HydrophobicContact CE2-CB 3.9Å; F41-A49 HydrophobicContact CZ-CB 3.9Å; F41-L58 HydrophobicContact CB-CD2 4.33Å; F41-L58 HydrophobicContact CD1-CD1 4.4Å; F41-L58 HydrophobicContact CD2-CD1 3.78Å; F41-L58 HydrophobicContact CE1-CD1 4.33Å; F41-L58 HydrophobicContact CE2-CD1 3.67Å; F41-L58 HydrophobicContact CG-CD1 4.13Å; F41-L58 HydrophobicContact CG-CD2 4.27Å; F41-L58 HydrophobicContact CZ-CD1 3.97Å; F41-L73 HydrophobicContact CD1-CD1 4.09Å; F41-L73 HydrophobicContact CE1-CD1 3.84Å; F41-I76 HydrophobicContact CD1-CD1 3.8Å; F41-I76 HydrophobicContact CD1-CG2 4.15Å; F41-I76 HydrophobicContact CE1-CD1 4.38Å; F41-I76 HydrophobicContact CE1-CG2 3.82Å; F41-L77 HydrophobicContact CE1-CD2 4.32Å; F41-L77 HydrophobicContact CZ-CD2 4.37Å; F41-L93 HydrophobicContact CE1-CD2 4.34Å; F41-L93 HydrophobicContact CZ-CD2 4.27Å
42Q96.3Very high95.7Very high72 Ų7242.2 Ų42.234%0.33622%0.22SC..Hα-helixtrans-62.8-43.1174-173.5-179.952.900111.5F38 L39 A40 G45 F72 I76F38-Q42 PolarHBondContact O-N 3.38Å; L39-Q42 WeakPolarHBondContact O-CB 3.42Å; L39-Q42 PolarHBondContact O-N 3.25Å; A40-Q42 VanDerWaalsContact C-N 3.32Å; A40-Q42 PolarHBondContact O-N 3.24Å; Q42-G45 PolarHBondContact O-N 3.44Å; Q42-F72 HydrophobicContact CB-CE1 4.4Å; Q42-F72 HydrophobicContact CB-CZ 4.3Å; Q42-I76 HydrophobicContact CB-CD1 3.78Å; Q42-I76 HydrophobicContact CB-CG1 4.01Å; Q42-I76 HydrophobicContact CG-CD1 4.47Å; Q42-I76 HydrophobicContact CG-CG1 4.14Å
43K95.4Very high95.7Very high187 Ų18742.1 Ų42.181%0.81322%0.216SC*.Hα-helixtrans-67.1-43.3-179.3-175.9-179177.3-178.60112.5L39 A40 F41 G45L39-K43 PolarHBondContact O-N 2.72Å; A40-K43 WeakPolarHBondContact O-CB 3.46Å; A40-K43 PolarHBondContact O-N 3.25Å; A40-K43 VanDerWaalsContact O-N 3.1Å; F41-K43 VanDerWaalsContact C-N 3.34Å; K43-G45 PolarHBondContact O-N 3.29Å
44D93.5Very high95.7Very high69 Ų6940.9 Ų40.937%0.36921%0.211SC..Hα-helixtrans-70.2-16.3177.5-69.5-21.7000112.6Y14 A40 I48Y14-D44 WeakPolarHBondContact CE2-OD2 3.47Å; Y14-D44 PolarHBondContact OH-OD2 3.48Å; A40-D44 PolarHBondContact O-N 3.2Å; D44-I48 HydrophobicContact CB-CD1 3.86Å; D44-I48 HydrophobicContact CB-CG2 4.16Å
45G93.5Very high95.7Very high23 Ų2340.9 Ų40.924%0.23721%0.211CC..  trans88139.2-176.800000112.2F41 Q42 K43 T47 I48F41-G45 CarbonylContact O-C 3.54Å; F41-G45 PolarHBondContact O-N 3.37Å; F41-G45 VanDerWaalsContact O-N 3.15Å; Q42-G45 PolarHBondContact O-N 3.44Å; K43-G45 PolarHBondContact O-N 3.29Å; G45-T47 PolarHBondContact O-N 3.43Å; G45-I48 WeakPolarHBondContact O-CG1 3Å; G45-I48 PolarHBondContact O-N 2.83Å
46W94.3Very high95.6Very high30 Ų3047.6 Ų47.611%0.11424%0.235CC..G310 helixtrans-59.4-23.1-172.974.8-99.3000113.7F41 I48 A49 L50 I76 S80 R83 V84 A90F41-W46 HydrophobicContact CE2-CB 4.39Å; F41-W46 WeakPolarHBondContact CE2-O 3.47Å; F41-W46 HydrophobicContact CZ-CB 3.92Å; W46-I48 PolarHBondContact O-N 3.06Å; W46-I48 VanDerWaalsContact O-N 3.12Å; W46-A49 WeakPolarHBondContact O-CB 3.41Å; W46-A49 PolarHBondContact O-N 3.48Å; W46-L50 HydrophobicContact CZ3-CD2 4.19Å; W46-L50 HydrophobicContact CZ3-CG 4.43Å; W46-I76 HydrophobicContact CB-CG2 3.86Å; W46-S80 PolarHBondContact NE1-OG 3.38Å; W46-R83 HydrophobicContact CH2-CB 3.42Å; W46-R83 VanDerWaalsContact CH2-CB 3.42Å; W46-R83 HydrophobicContact CZ2-CB 3.53Å; W46-R83 HydrophobicContact CZ2-CG 4.37Å; W46-V84 HydrophobicContact CD2-CG2 4.18Å; W46-V84 HydrophobicContact CE3-CG2 3.73Å; W46-V84 HydrophobicContact CH2-CG2 4.24Å; W46-V84 HydrophobicContact CZ3-CG2 3.77Å; W46-A90 HydrophobicContact CZ3-CB 4.4Å
47T94.6Very high95.6Very high30 Ų3043.6 Ų43.618%0.18421%0.214CC..G310 helixtrans-63.1-16.6-178.250.40000113.6G45 A49 L50G45-T47 PolarHBondContact O-N 3.43Å; T47-A49 PolarHBondContact O-N 3.35Å; T47-L50 HydrophobicContact CG2-CD1 4.47Å; T47-L50 WeakPolarHBondContact O-CB 3.42Å; T47-L50 WeakPolarHBondContact O-CG 3.2Å; T47-L50 PolarHBondContact O-N 3.25Å
48I95Very high95.6Very high10 Ų1043.6 Ų43.65%0.05121%0.214CC..G310 helixtrans-64.2-23.3172.771.1167.2000112.5V6 T10 Y14 F41 D44 G45 W46 L50 H51 V54V6-I48 HydrophobicContact CG1-CB 4.38Å; V6-I48 HydrophobicContact CG1-CG2 4.45Å; V6-I48 HydrophobicContact CG2-CB 4.21Å; V6-I48 HydrophobicContact CG2-CG2 4.3Å; T10-I48 HydrophobicContact CG2-CD1 4.16Å; T10-I48 HydrophobicContact CG2-CG2 4.34Å; Y14-I48 HydrophobicContact CD2-CD1 3.99Å; Y14-I48 HydrophobicContact CE1-CD1 4.25Å; Y14-I48 HydrophobicContact CE2-CD1 3.15Å; Y14-I48 WeakPolarHBondContact OH-CD1 3.36Å; F41-I48 HydrophobicContact CD2-CD1 3.71Å; F41-I48 HydrophobicContact CD2-CG1 3.57Å; F41-I48 HydrophobicContact CE2-CD1 4.26Å; F41-I48 HydrophobicContact CE2-CG1 3.6Å; D44-I48 HydrophobicContact CB-CD1 3.86Å; D44-I48 HydrophobicContact CB-CG2 4.16Å; G45-I48 WeakPolarHBondContact O-CG1 3Å; G45-I48 PolarHBondContact O-N 2.83Å; W46-I48 PolarHBondContact O-N 3.06Å; W46-I48 VanDerWaalsContact O-N 3.12Å; I48-L50 PolarHBondContact O-N 3.34Å; I48-H51 WeakPolarHBondContact O-CB 3.25Å; I48-H51 PolarHBondContact O-N 2.97Å; I48-V54 HydrophobicContact CB-CG1 4.37Å; I48-V54 HydrophobicContact CD1-CG1 3.85Å; I48-V54 HydrophobicContact CG1-CG1 3.91Å
49A95.2Very high95.5Very high0 Ų045.5 Ų45.50%022%0.223CC..G310 helixtrans-69.2-5.4173.100000113F41 W46 T47 H51 C55 L58 A90 L93F41-A49 HydrophobicContact CE2-CB 3.9Å; F41-A49 HydrophobicContact CZ-CB 3.9Å; W46-A49 WeakPolarHBondContact O-CB 3.41Å; W46-A49 PolarHBondContact O-N 3.48Å; T47-A49 PolarHBondContact O-N 3.35Å; A49-H51 PolarHBondContact O-N 3.11Å; A49-C55 WeakPolarHBondContact O-CB 3.08Å; A49-L58 HydrophobicContact CB-CD1 4.14Å; A49-A90 HydrophobicContact CB-CB 3.98Å; A49-L93 HydrophobicContact CB-CD2 4.19Å
50L94.6Very high95.5Very high41 Ų4146.9 Ų46.922%0.21523%0.227CC..G310 helixtrans-73.3-12.3166.7-57.7177.7000112.2W46 T47 I48 S87 F89 A90W46-L50 HydrophobicContact CZ3-CD2 4.19Å; W46-L50 HydrophobicContact CZ3-CG 4.43Å; T47-L50 HydrophobicContact CG2-CD1 4.47Å; T47-L50 WeakPolarHBondContact O-CB 3.42Å; T47-L50 WeakPolarHBondContact O-CG 3.2Å; T47-L50 PolarHBondContact O-N 3.25Å; I48-L50 PolarHBondContact O-N 3.34Å; L50-S87 VanDerWaalsContact CD2-CB 3.41Å; L50-F89 WeakPolarHBondContact O-CD2 3.42Å; L50-A90 HydrophobicContact CD2-CB 4.29Å
51H95.2Very high95.4Very high53 Ų5346 Ų4625%0.24522%0.22CC..SBendtrans-85.7127.1172.8-169.1-88.6000110.3V6 I48 A49 Q53 V54 C55V6-H51 HydrophobicContact CB-CB 4.34Å; V6-H51 HydrophobicContact CG2-CB 4.03Å; I48-H51 WeakPolarHBondContact O-CB 3.25Å; I48-H51 PolarHBondContact O-N 2.97Å; A49-H51 PolarHBondContact O-N 3.11Å; H51-Q53 VanDerWaalsContact C-N 3.33Å; H51-Q53 PolarHBondContact CE1-OE1 3.07Å; H51-Q53 PolarHBondContact ND1-N 3.15Å; H51-Q53 PolarHBondContact O-N 3.3Å; H51-V54 HydrophobicContact CB-CB 4.19Å; H51-V54 HydrophobicContact CB-CG2 4.06Å; H51-V54 PolarHBondContact O-N 3.07Å; H51-V54 VanDerWaalsContact O-N 3.12Å; H51-C55 PolarHBondContact O-N 3.08Å
52P94.9Very high95.4Very high44 Ų4446.1 Ų46.129%0.28622%0.221SC..Hα-helixtrans-59.3-39.1-172.120.2-32.2000113.7R56 F89P52-R56 VanDerWaalsContact O-CG 3.29Å; P52-R56 WeakPolarHBondContact O-CG 3.46Å; P52-R56 PolarHBondContact O-N 3.07Å; P52-R56 VanDerWaalsContact O-N 3.07Å; P52-F89 HydrophobicContact CB-CD1 4.02Å; P52-F89 HydrophobicContact CB-CE1 3.69Å; P52-F89 HydrophobicContact CB-CE2 4.27Å; P52-F89 HydrophobicContact CB-CG 4.46Å; P52-F89 HydrophobicContact CB-CZ 3.8Å; P52-F89 HydrophobicContact CG-CE2 4.36Å; P52-F89 HydrophobicContact CG-CZ 4.13Å
53Q95.6Very high95.2Very high93 Ų9345.6 Ų45.644%0.43523%0.228SC..Hα-helixtrans-69.7-40.5178.6-66179.1-51.300111.8V11 H51 R56 C57V11-Q53 HydrophobicContact CG1-CB 4.22Å; H51-Q53 VanDerWaalsContact C-N 3.33Å; H51-Q53 PolarHBondContact CE1-OE1 3.07Å; H51-Q53 PolarHBondContact ND1-N 3.15Å; H51-Q53 PolarHBondContact O-N 3.3Å; Q53-R56 PolarHBondContact O-N 3.25Å; Q53-C57 WeakPolarHBondContact O-CB 3.5Å; Q53-C57 PolarHBondContact O-N 3.45Å; Q53-C57 PolarHBondContact O-SG 3.42Å
54V95.9Very high95.1Very high1 Ų139.9 Ų39.91%0.00621%0.207CC..Hα-helixtrans-68.9-42.3179.8177.80000109.8V6 V11 Y14 I48 H51 R56 C57 L58V6-V54 HydrophobicContact CG1-CG2 4.38Å; V11-V54 HydrophobicContact CB-CG2 4.5Å; V11-V54 HydrophobicContact CG2-CG2 4.09Å; Y14-V54 HydrophobicContact CD1-CG1 4.45Å; Y14-V54 HydrophobicContact CD2-CG1 3.89Å; Y14-V54 HydrophobicContact CD2-CG2 4.3Å; Y14-V54 HydrophobicContact CE2-CG1 4.39Å; Y14-V54 HydrophobicContact CG-CG1 3.98Å; I48-V54 HydrophobicContact CB-CG1 4.37Å; I48-V54 HydrophobicContact CD1-CG1 3.85Å; I48-V54 HydrophobicContact CG1-CG1 3.91Å; H51-V54 HydrophobicContact CB-CB 4.19Å; H51-V54 HydrophobicContact CB-CG2 4.06Å; H51-V54 PolarHBondContact O-N 3.07Å; H51-V54 VanDerWaalsContact O-N 3.12Å; V54-R56 PolarHBondContact O-N 3.21Å; V54-C57 WeakPolarHBondContact O-CB 3.47Å; V54-C57 PolarHBondContact O-N 3.27Å; V54-L58 HydrophobicContact CG1-CD1 3.99Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.4Å
55C96.3Very high95.2Very high1 Ų136.6 Ų36.61%0.00719%0.19CC..Hα-helixtrans-55.5-51.9173.7-171.90000111.6A49 H51 C57 L58 E59 F89A49-C55 WeakPolarHBondContact O-CB 3.08Å; H51-C55 PolarHBondContact O-N 3.08Å; C55-C57 VanDerWaalsContact C-N 3.32Å; C55-C57 PolarHBondContact O-N 3.42Å; C55-L58 PolarHBondContact O-N 3.17Å; C55-E59 WeakPolarHBondContact O-CG 3.03Å; C55-E59 PolarHBondContact O-N 3.35Å; C55-E59 PolarHBondContact SG-OE1 3Å; C55-F89 HydrophobicContact CB-CB 4.15Å; C55-F89 PolarHBondContact SG-O 3.5Å
56R96Very high95.3Very high165 Ų16537.1 Ų37.162%0.62319%0.187SC*.Hα-helixtrans-58.6-43.5177.5-74.1176.6-172.9177.82112P52 Q53 V54 L58 E59 E60P52-R56 VanDerWaalsContact O-CG 3.29Å; P52-R56 WeakPolarHBondContact O-CG 3.46Å; P52-R56 PolarHBondContact O-N 3.07Å; P52-R56 VanDerWaalsContact O-N 3.07Å; Q53-R56 PolarHBondContact O-N 3.25Å; V54-R56 PolarHBondContact O-N 3.21Å; R56-L58 PolarHBondContact O-N 3.45Å; R56-E59 WeakPolarHBondContact O-CB 2.99Å; R56-E59 PolarHBondContact O-N 2.65Å; R56-E60 WeakPolarHBondContact O-CG 3.42Å; R56-E60 PolarHBondContact O-N 3.48Å
57C96Very high95.4Very high7 Ų736.9 Ų36.95%0.04719%0.189CC..Hα-helixtrans-58.4-49.1176.6-73.20000111.7V18 Q53 V54 C55 E59 E60 L61V18-C57 HydrophobicContact CG2-CB 3.54Å; V18-C57 VanDerWaalsContact CG2-O 3.3Å; V18-C57 WeakPolarHBondContact CG2-O 3.28Å; Q53-C57 WeakPolarHBondContact O-CB 3.5Å; Q53-C57 PolarHBondContact O-N 3.45Å; Q53-C57 PolarHBondContact O-SG 3.42Å; V54-C57 WeakPolarHBondContact O-CB 3.47Å; V54-C57 PolarHBondContact O-N 3.27Å; C55-C57 VanDerWaalsContact C-N 3.32Å; C55-C57 PolarHBondContact O-N 3.42Å; C57-E59 VanDerWaalsContact C-N 3.31Å; C57-E59 PolarHBondContact O-N 2.99Å; C57-E60 PolarHBondContact O-N 3.48Å; C57-L61 WeakPolarHBondContact O-CG 2.82Å; C57-L61 PolarHBondContact O-N 3.23Å
58L96.8Very high95.5Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-63.8-36.7178-66.7169.3000111.9Y14 F38 F41 A49 V54 C55 R56 L61 L93Y14-L58 HydrophobicContact CD1-CD2 4.02Å; Y14-L58 HydrophobicContact CE1-CD2 4Å; F38-L58 HydrophobicContact CD1-CD2 4.14Å; F38-L58 HydrophobicContact CE1-CD2 4.05Å; F41-L58 HydrophobicContact CB-CD2 4.33Å; F41-L58 HydrophobicContact CD1-CD1 4.4Å; F41-L58 HydrophobicContact CD2-CD1 3.78Å; F41-L58 HydrophobicContact CE1-CD1 4.33Å; F41-L58 HydrophobicContact CE2-CD1 3.67Å; F41-L58 HydrophobicContact CG-CD1 4.13Å; F41-L58 HydrophobicContact CG-CD2 4.27Å; F41-L58 HydrophobicContact CZ-CD1 3.97Å; A49-L58 HydrophobicContact CB-CD1 4.14Å; V54-L58 HydrophobicContact CG1-CD1 3.99Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.4Å; C55-L58 PolarHBondContact O-N 3.17Å; R56-L58 PolarHBondContact O-N 3.45Å; L58-L61 HydrophobicContact CD2-CD1 4.33Å; L58-L61 PolarHBondContact O-N 3.09Å; L58-L93 HydrophobicContact CB-CD1 3.56Å; L58-L93 HydrophobicContact CB-CD2 3.96Å; L58-L93 HydrophobicContact CB-CG 4.42Å; L58-L93 HydrophobicContact CD1-CD2 3.85Å
59E97Very high95.6Very high39 Ų3940.5 Ų40.518%0.18220%0.203CC..Hα-helixtrans-62.4-41.9174-75.4176.4-102.300111.7C55 R56 C57 L61 I62 L93 K96C55-E59 WeakPolarHBondContact O-CG 3.03Å; C55-E59 PolarHBondContact O-N 3.35Å; C55-E59 PolarHBondContact SG-OE1 3Å; R56-E59 WeakPolarHBondContact O-CB 2.99Å; R56-E59 PolarHBondContact O-N 2.65Å; C57-E59 VanDerWaalsContact C-N 3.31Å; C57-E59 PolarHBondContact O-N 2.99Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.42Å; E59-I62 WeakPolarHBondContact O-CB 3.37Å; E59-I62 PolarHBondContact O-N 2.9Å; E59-L93 HydrophobicContact CG-CB 4.31Å; E59-L93 HydrophobicContact CG-CD1 4.04Å; E59-K96 HydrophobicContact CB-CD 3.8Å; E59-K96 HydrophobicContact CG-CD 4.2Å; E59-K96 VanDerWaalsContact O-CD 3.28Å; E59-K96 WeakPolarHBondContact O-CD 3.33Å; E59-K96 WeakPolarHBondContact O-CE 3.48Å; E59-K96 PolarHBondContact O-NZ 3.42Å
60E95.5Very high95.7Very high101 Ų10140.5 Ų40.547%0.47220%0.203SC..Hα-helixtrans-60.1-38.6178.1-74.3178.5-136.900112V18 R56 C57 I62 A63V18-E60 HydrophobicContact CG1-CB 4.14Å; V18-E60 WeakPolarHBondContact CG1-OE2 3.28Å; R56-E60 WeakPolarHBondContact O-CG 3.42Å; R56-E60 PolarHBondContact O-N 3.48Å; C57-E60 PolarHBondContact O-N 3.48Å; E60-I62 VanDerWaalsContact C-N 3.26Å; E60-I62 PolarHBondContact O-N 3.39Å; E60-A63 PolarHBondContact O-N 2.67Å
61L96.1Very high95.9Very high1 Ų138.8 Ų38.81%0.00520%0.195CC..Hα-helixtrans-61.8-28.9177.6-56.6178.7000113.6V18 L21 I34 T37 F38 C57 L58 E59 A63 D64 A65V18-L61 HydrophobicContact CG2-CD2 3.96Å; V18-L61 HydrophobicContact CG2-CG 4.32Å; L21-L61 HydrophobicContact CD1-CD2 4.5Å; L21-L61 HydrophobicContact CD2-CD2 3.91Å; I34-L61 HydrophobicContact CG2-CB 4.34Å; T37-L61 HydrophobicContact CG2-CD1 3.55Å; F38-L61 HydrophobicContact CE1-CB 4.41Å; F38-L61 HydrophobicContact CE1-CD1 4.09Å; F38-L61 HydrophobicContact CZ-CB 4.21Å; C57-L61 WeakPolarHBondContact O-CG 2.82Å; C57-L61 PolarHBondContact O-N 3.23Å; L58-L61 HydrophobicContact CD2-CD1 4.33Å; L58-L61 PolarHBondContact O-N 3.09Å; E59-L61 VanDerWaalsContact C-N 3.29Å; E59-L61 PolarHBondContact O-N 3.42Å; L61-A63 PolarHBondContact O-N 3.21Å; L61-D64 PolarHBondContact O-N 3.21Å; L61-A65 WeakPolarHBondContact O-CB 3.29Å; L61-A65 PolarHBondContact O-N 3.21Å; L61-A65 VanDerWaalsContact O-N 3.1Å
62I96.1Very high96Very high2 Ų238 Ų381%0.0119%0.191CC..THydrogen-bonded Turntrans-63.3-25.3-177.7-69.1171.9000112.4E59 E60 D64 I70 L73 L93 K96 A97 K100E59-I62 WeakPolarHBondContact O-CB 3.37Å; E59-I62 PolarHBondContact O-N 2.9Å; E60-I62 VanDerWaalsContact C-N 3.26Å; E60-I62 PolarHBondContact O-N 3.39Å; I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 PolarHBondContact O-N 2.89Å; I62-I70 HydrophobicContact CB-CD1 4.38Å; I62-I70 HydrophobicContact CG1-CD1 4.14Å; I62-I70 HydrophobicContact CG2-CD1 3.92Å; I62-L73 HydrophobicContact CD1-CD2 3.8Å; I62-L73 HydrophobicContact CG1-CD2 3.99Å; I62-L93 HydrophobicContact CD1-CD1 3.6Å; I62-K96 HydrophobicContact CB-CD 4.27Å; I62-K96 HydrophobicContact CB-CG 4.26Å; I62-K96 HydrophobicContact CD1-CB 3.87Å; I62-K96 HydrophobicContact CD1-CD 4.37Å; I62-K96 HydrophobicContact CD1-CG 4.16Å; I62-K96 HydrophobicContact CG2-CD 4.43Å; I62-K96 HydrophobicContact CG2-CG 3.91Å; I62-A97 HydrophobicContact CD1-CB 4.15Å; I62-K100 HydrophobicContact CG2-CB 3.91Å; I62-K100 HydrophobicContact CG2-CD 4.38Å; I62-K100 HydrophobicContact CG2-CG 4.13Å
63A92.6Very high96.1Very high60 Ų6036 Ų3650%0.49618%0.177SC..THydrogen-bonded Turntrans-59.9-44.5179.600000111.5E60 L61 K100E60-A63 PolarHBondContact O-N 2.67Å; L61-A63 PolarHBondContact O-N 3.21Å; A63-K100 PolarHBondContact O-NZ 3.34Å
64D93.1Very high96.2Very high67 Ų6731.6 Ų31.636%0.35816%0.157SC..THydrogen-bonded Turntrans-98.4-7.7-177.4-64.2-99.5000114K30 I34 L61 I62K30-D64 HydrophobicContact CD-CB 3.7Å; K30-D64 WeakPolarHBondContact CD-OD1 3.44Å; K30-D64 HydrophobicContact CG-CB 4.44Å; K30-D64 IonicContact NZ-OD1 2.98Å; K30-D64 PolarHBondContact NZ-OD1 3.24Å; I34-D64 HydrophobicContact CD1-CB 3.72Å; L61-D64 PolarHBondContact O-N 3.21Å; I62-D64 VanDerWaalsContact C-N 3.31Å; I62-D64 PolarHBondContact O-N 2.89Å
65A95.2Very high96.3Very high1 Ų136.5 Ų36.51%0.00818%0.178CC..  trans-65.8134.3-178.500000112.1I34 F38 L61 C69 I70 K100 Y106I34-A65 HydrophobicContact CD1-CB 4.45Å; I34-A65 HydrophobicContact CG2-CB 3.94Å; F38-A65 HydrophobicContact CE2-CB 4.45Å; L61-A65 WeakPolarHBondContact O-CB 3.29Å; L61-A65 PolarHBondContact O-N 3.21Å; L61-A65 VanDerWaalsContact O-N 3.1Å; A65-C69 HydrophobicContact CB-CB 3.84Å; A65-I70 HydrophobicContact CB-CD1 3.69Å; A65-I70 HydrophobicContact CB-CG1 3.98Å; A65-K100 WeakPolarHBondContact O-CE 3.44Å; A65-Y106 PolarHBondContact O-OH 3.02Å
66N95.7Very high96.3Very high33 Ų3336.8 Ų36.818%0.17618%0.18CC..  trans-81.117917374.1-8.7000112.9E68 C69 I70 Y106N66-E68 PolarHBondContact O-N 2.87Å; N66-E68 PolarHBondContact OD1-N 2.76Å; N66-C69 PolarHBondContact O-N 3.15Å; N66-C69 VanDerWaalsContact OD1-CB 3.3Å; N66-C69 WeakPolarHBondContact OD1-CB 3.31Å; N66-C69 PolarHBondContact OD1-N 3.42Å; N66-C69 PolarHBondContact OD1-SG 3.03Å; N66-I70 WeakPolarHBondContact O-CG1 3.47Å; N66-I70 PolarHBondContact O-N 3.45Å; N66-Y106 VanDerWaalsContact C-CE1 3.45Å; N66-Y106 WeakPolarHBondContact CA-OH 3.16Å
67V96.7Very high96.4Very high26 Ų2628.9 Ų28.916%0.15815%0.15CC..Hα-helixtrans-52.6-50.1179.9179.90000112.3C69 I70 A71 E105 Y106 D109 I112V67-C69 PolarHBondContact O-N 3.24Å; V67-I70 PolarHBondContact O-N 3.06Å; V67-A71 WeakPolarHBondContact O-CB 3.42Å; V67-A71 PolarHBondContact O-N 3.25Å; V67-E105 HydrophobicContact CG2-CG 3.87Å; V67-E105 WeakPolarHBondContact CG2-O 3.45Å; V67-Y106 HydrophobicContact CB-CD1 4.36Å; V67-Y106 HydrophobicContact CB-CE1 4.47Å; V67-Y106 HydrophobicContact CG2-CD1 3.96Å; V67-Y106 HydrophobicContact CG2-CD2 4.46Å; V67-Y106 HydrophobicContact CG2-CE1 4.09Å; V67-Y106 HydrophobicContact CG2-CG 4.11Å; V67-D109 HydrophobicContact CG1-CB 3.55Å; V67-I112 HydrophobicContact CG1-CD1 3.79Å
68E96.3Very high96.4Very high115 Ų11530 Ų3054%0.53716%0.158SC..Hα-helixtrans-58.8-47179.7-176.5-176.5-17500112N66 I70 A71 F72N66-E68 PolarHBondContact O-N 2.87Å; N66-E68 PolarHBondContact OD1-N 2.76Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-I70 PolarHBondContact O-N 3.44Å; E68-A71 PolarHBondContact O-N 3.28Å; E68-F72 VanDerWaalsContact O-CB 3.31Å; E68-F72 WeakPolarHBondContact O-CB 3.49Å; E68-F72 PolarHBondContact O-N 2.93Å
69C97.2Very high96.4Very high1 Ų137 Ų371%0.00719%0.188CC..Hα-helixtrans-60.3-42.9178.3-71.40000111.9I34 F38 A65 N66 V67 L73I34-C69 HydrophobicContact CG2-CB 3.98Å; F38-C69 HydrophobicContact CD2-CB 4.1Å; F38-C69 WeakPolarHBondContact CD2-O 3.43Å; F38-C69 HydrophobicContact CE2-CB 3.96Å; A65-C69 HydrophobicContact CB-CB 3.84Å; N66-C69 PolarHBondContact O-N 3.15Å; N66-C69 VanDerWaalsContact OD1-CB 3.3Å; N66-C69 WeakPolarHBondContact OD1-CB 3.31Å; N66-C69 PolarHBondContact OD1-N 3.42Å; N66-C69 PolarHBondContact OD1-SG 3.03Å; V67-C69 PolarHBondContact O-N 3.24Å; C69-L73 WeakPolarHBondContact O-CB 3.31Å; C69-L73 PolarHBondContact O-N 3.28Å
70I97.8Very high96.3Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-71.2-43.4-179.6-65.7-60.3000111.5I62 A65 N66 V67 E68 F72 L73 L74 K100 C101 Y106 I112I62-I70 HydrophobicContact CB-CD1 4.38Å; I62-I70 HydrophobicContact CG1-CD1 4.14Å; I62-I70 HydrophobicContact CG2-CD1 3.92Å; A65-I70 HydrophobicContact CB-CD1 3.69Å; A65-I70 HydrophobicContact CB-CG1 3.98Å; N66-I70 WeakPolarHBondContact O-CG1 3.47Å; N66-I70 PolarHBondContact O-N 3.45Å; V67-I70 PolarHBondContact O-N 3.06Å; E68-I70 VanDerWaalsContact C-N 3.34Å; E68-I70 PolarHBondContact O-N 3.44Å; I70-F72 VanDerWaalsContact C-N 3.28Å; I70-F72 PolarHBondContact O-N 3.27Å; I70-L73 PolarHBondContact O-N 3.15Å; I70-L74 HydrophobicContact CG2-CD1 4.26Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CB 3.06Å; I70-L74 WeakPolarHBondContact O-CG 3.2Å; I70-L74 PolarHBondContact O-N 2.98Å; I70-K100 HydrophobicContact CD1-CG 4.13Å; I70-K100 HydrophobicContact CG1-CG 4.04Å; I70-C101 WeakPolarHBondContact CG2-SG 3.47Å; I70-Y106 HydrophobicContact CB-CD1 4.1Å; I70-Y106 HydrophobicContact CB-CE1 4.09Å; I70-Y106 HydrophobicContact CG1-CD1 4.09Å; I70-Y106 HydrophobicContact CG1-CE1 3.63Å; I70-Y106 HydrophobicContact CG2-CD1 4.33Å; I70-I112 HydrophobicContact CG2-CD1 4.42Å
71A97.3Very high96.3Very high4 Ų432.1 Ų32.13%0.03317%0.167CC..Hα-helixtrans-59.5-42.6175.300000111V67 E68 L74 K75 L111 I112 L115V67-A71 WeakPolarHBondContact O-CB 3.42Å; V67-A71 PolarHBondContact O-N 3.25Å; E68-A71 PolarHBondContact O-N 3.28Å; A71-L74 PolarHBondContact O-N 3.49Å; A71-K75 WeakPolarHBondContact O-CB 3.25Å; A71-K75 PolarHBondContact O-N 2.89Å; A71-L111 HydrophobicContact CB-CD2 3.8Å; A71-L111 HydrophobicContact CB-CG 4.13Å; A71-I112 HydrophobicContact CB-CG1 3.89Å; A71-L115 WeakPolarHBondContact O-CD1 3.21Å
72F97.5Very high96.3Very high38 Ų3836 Ų3617%0.16719%0.188CC..Hα-helixtrans-63.5-45.8175.6-171.2-102.3000112.4L35 F38 L39 Q42 E68 I70 L74 K75 I76L35-F72 HydrophobicContact CD1-CB 4.27Å; L35-F72 HydrophobicContact CD1-CD1 4.25Å; L35-F72 HydrophobicContact CD1-CG 4.22Å; F38-F72 HydrophobicContact CB-CD1 3.73Å; F38-F72 HydrophobicContact CB-CE1 4.05Å; L39-F72 HydrophobicContact CD2-CE1 3.95Å; L39-F72 HydrophobicContact CD2-CE2 4.11Å; L39-F72 HydrophobicContact CD2-CZ 3.45Å; L39-F72 VanDerWaalsContact CD2-CZ 3.45Å; L39-F72 HydrophobicContact CG-CE1 4.09Å; L39-F72 HydrophobicContact CG-CZ 4.11Å; Q42-F72 HydrophobicContact CB-CE1 4.4Å; Q42-F72 HydrophobicContact CB-CZ 4.3Å; E68-F72 VanDerWaalsContact O-CB 3.31Å; E68-F72 WeakPolarHBondContact O-CB 3.49Å; E68-F72 PolarHBondContact O-N 2.93Å; I70-F72 VanDerWaalsContact C-N 3.28Å; I70-F72 PolarHBondContact O-N 3.27Å; F72-L74 PolarHBondContact O-N 2.95Å; F72-K75 WeakPolarHBondContact O-CB 3.36Å; F72-K75 PolarHBondContact O-N 3.21Å; F72-I76 HydrophobicContact CD1-CD1 3.9Å; F72-I76 HydrophobicContact CD1-CG1 4.49Å; F72-I76 HydrophobicContact CE1-CD1 3.63Å; F72-I76 HydrophobicContact CE1-CG1 4.23Å; F72-I76 HydrophobicContact CZ-CD1 4.39Å; F72-I76 WeakPolarHBondContact O-CG1 3.32Å; F72-I76 PolarHBondContact O-N 3.41Å
73L97.8Very high96.2Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-58.8-47.9175.6175.562.1000111.8F38 F41 I62 C69 I70 K75 I76 L77 L93 A97F38-L73 HydrophobicContact CD1-CD1 4.24Å; F38-L73 HydrophobicContact CD2-CB 4.16Å; F38-L73 HydrophobicContact CE1-CD1 4.19Å; F38-L73 HydrophobicContact CE1-CD2 4.18Å; F38-L73 HydrophobicContact CE2-CB 4.08Å; F38-L73 HydrophobicContact CE2-CD2 4.34Å; F38-L73 HydrophobicContact CG-CB 4.5Å; F38-L73 HydrophobicContact CZ-CB 4.36Å; F38-L73 HydrophobicContact CZ-CD2 3.87Å; F38-L73 HydrophobicContact CZ-CG 4.5Å; F41-L73 HydrophobicContact CD1-CD1 4.09Å; F41-L73 HydrophobicContact CE1-CD1 3.84Å; I62-L73 HydrophobicContact CD1-CD2 3.8Å; I62-L73 HydrophobicContact CG1-CD2 3.99Å; C69-L73 WeakPolarHBondContact O-CB 3.31Å; C69-L73 PolarHBondContact O-N 3.28Å; I70-L73 PolarHBondContact O-N 3.15Å; L73-K75 VanDerWaalsContact C-N 3.29Å; L73-K75 PolarHBondContact O-N 3.37Å; L73-I76 WeakPolarHBondContact O-CB 3.42Å; L73-I76 PolarHBondContact O-N 2.92Å; L73-I76 VanDerWaalsContact O-N 3.1Å; L73-L77 HydrophobicContact CD1-CD1 4.32Å; L73-L77 HydrophobicContact CD1-CG 4.38Å; L73-L77 HydrophobicContact CG-CD1 4.31Å; L73-L77 WeakPolarHBondContact O-CG 3.19Å; L73-L77 PolarHBondContact O-N 2.86Å; L73-L77 VanDerWaalsContact O-N 3.11Å; L73-L93 HydrophobicContact CD1-CD2 4.17Å; L73-L93 HydrophobicContact CD2-CD1 4.2Å; L73-L93 HydrophobicContact CD2-CG 4.42Å; L73-A97 HydrophobicContact CD2-CB 4.12Å
74L97.7Very high96.4Very high1 Ų137.7 Ų37.71%0.00518%0.182CC..Hα-helixtrans-61.9-37.5177.7-75.4178.6000111.9I70 A71 F72 I76 L77 S78 W81 L94 A97 L98 C101 L115I70-L74 HydrophobicContact CG2-CD1 4.26Å; I70-L74 HydrophobicContact CG2-CG 4.49Å; I70-L74 WeakPolarHBondContact O-CB 3.06Å; I70-L74 WeakPolarHBondContact O-CG 3.2Å; I70-L74 PolarHBondContact O-N 2.98Å; A71-L74 PolarHBondContact O-N 3.49Å; F72-L74 PolarHBondContact O-N 2.95Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.97Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-S78 VanDerWaalsContact O-CB 3.28Å; L74-S78 WeakPolarHBondContact O-CB 3.27Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 2.98Å; L74-W81 HydrophobicContact CD2-CH2 4.48Å; L74-L94 HydrophobicContact CD2-CD1 4.04Å; L74-A97 HydrophobicContact CD2-CB 3.89Å; L74-A97 HydrophobicContact CG-CB 4.35Å; L74-L98 HydrophobicContact CD2-CD2 4.34Å; L74-C101 VanDerWaalsContact CD1-SG 3.53Å; L74-L115 HydrophobicContact CB-CB 4.39Å; L74-L115 HydrophobicContact CB-CD1 3.77Å
75K97.5Very high96.6Very high105 Ų10534.5 Ų34.546%0.45717%0.165SC..Hα-helixtrans-63.5-31.8173.7-175.6178.1-178.7175.70113.1A71 F72 L73 S78 L115A71-K75 WeakPolarHBondContact O-CB 3.25Å; A71-K75 PolarHBondContact O-N 2.89Å; F72-K75 WeakPolarHBondContact O-CB 3.36Å; F72-K75 PolarHBondContact O-N 3.21Å; L73-K75 VanDerWaalsContact C-N 3.29Å; L73-K75 PolarHBondContact O-N 3.37Å; K75-S78 PolarHBondContact O-OG 3.22Å; K75-S78 VanDerWaalsContact O-OG 3.11Å; K75-L115 HydrophobicContact CB-CD1 4.33Å; K75-L115 HydrophobicContact CB-CD2 4.46Å
76I97.1Very high96.6Very high6 Ų637.1 Ų37.13%0.03118%0.178CC..Hα-helixtrans-68-50172.9-63.7165.6000109.9F38 F41 Q42 W46 F72 L73 L74 S78F38-I76 HydrophobicContact CB-CD1 4.5Å; F38-I76 WeakPolarHBondContact O-CD1 3.44Å; F41-I76 HydrophobicContact CD1-CD1 3.8Å; F41-I76 HydrophobicContact CD1-CG2 4.15Å; F41-I76 HydrophobicContact CE1-CD1 4.38Å; F41-I76 HydrophobicContact CE1-CG2 3.82Å; Q42-I76 HydrophobicContact CB-CD1 3.78Å; Q42-I76 HydrophobicContact CB-CG1 4.01Å; Q42-I76 HydrophobicContact CG-CD1 4.47Å; Q42-I76 HydrophobicContact CG-CG1 4.14Å; W46-I76 HydrophobicContact CB-CG2 3.86Å; F72-I76 HydrophobicContact CD1-CD1 3.9Å; F72-I76 HydrophobicContact CD1-CG1 4.49Å; F72-I76 HydrophobicContact CE1-CD1 3.63Å; F72-I76 HydrophobicContact CE1-CG1 4.23Å; F72-I76 HydrophobicContact CZ-CD1 4.39Å; F72-I76 WeakPolarHBondContact O-CG1 3.32Å; F72-I76 PolarHBondContact O-N 3.41Å; L73-I76 WeakPolarHBondContact O-CB 3.42Å; L73-I76 PolarHBondContact O-N 2.92Å; L73-I76 VanDerWaalsContact O-N 3.1Å; L74-I76 VanDerWaalsContact C-N 3.3Å; L74-I76 PolarHBondContact O-N 2.97Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.32Å
77L97.2Very high96.5Very high0 Ų035.5 Ų35.50%017%0.17CC..Hα-helixtrans-68.8-31.2-175.8-61178.3000112.4F41 L73 L74 K79 S80 W81 V84 L93 L94F41-L77 HydrophobicContact CE1-CD2 4.32Å; F41-L77 HydrophobicContact CZ-CD2 4.37Å; L73-L77 HydrophobicContact CD1-CD1 4.32Å; L73-L77 HydrophobicContact CD1-CG 4.38Å; L73-L77 HydrophobicContact CG-CD1 4.31Å; L73-L77 WeakPolarHBondContact O-CG 3.19Å; L73-L77 PolarHBondContact O-N 2.86Å; L73-L77 VanDerWaalsContact O-N 3.11Å; L74-L77 PolarHBondContact O-N 3.29Å; L77-K79 PolarHBondContact O-N 3.18Å; L77-S80 CarbonylContact O-C 3.59Å; L77-S80 PolarHBondContact O-N 2.7Å; L77-S80 VanDerWaalsContact O-N 3.09Å; L77-W81 HydrophobicContact CB-CE3 4.47Å; L77-W81 HydrophobicContact CB-CH2 4.48Å; L77-W81 HydrophobicContact CB-CZ3 3.74Å; L77-V84 HydrophobicContact CB-CG2 4.44Å; L77-V84 HydrophobicContact CD2-CG1 4.33Å; L77-V84 HydrophobicContact CD2-CG2 4.1Å; L77-L93 HydrophobicContact CD1-CG 4.47Å; L77-L93 HydrophobicContact CD2-CD2 4.47Å; L77-L94 HydrophobicContact CD1-CB 4.26Å; L77-L94 HydrophobicContact CD1-CD1 4.28Å
78S96.7Very high96.3Very high30 Ų3040.3 Ų40.321%0.2119%0.189CC..Hα-helixtrans-63.6-23.8-175.869.70000114.6L74 K75 I76 S80 W81L74-S78 VanDerWaalsContact O-CB 3.28Å; L74-S78 WeakPolarHBondContact O-CB 3.27Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 2.98Å; K75-S78 PolarHBondContact O-OG 3.22Å; K75-S78 VanDerWaalsContact O-OG 3.11Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 3.32Å; S78-S80 PolarHBondContact O-N 3.01Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S78-W81 VanDerWaalsContact CA-CH2 3.45Å
79K95.3Very high96.2Very high148 Ų14837.5 Ų37.564%0.64318%0.175SC*.THydrogen-bonded Turntrans-64.8-15.1175.6-62-176.6179.8-175.50113.6L77L77-K79 PolarHBondContact O-N 3.18Å
80S95.3Very high96.2Very high24 Ų2437.4 Ų37.417%0.16817%0.174CC..THydrogen-bonded Turntrans-150.146.1-175.1-64.30000111.9W46 L77 S78 N82 R83 V84W46-S80 PolarHBondContact NE1-OG 3.38Å; L77-S80 CarbonylContact O-C 3.59Å; L77-S80 PolarHBondContact O-N 2.7Å; L77-S80 VanDerWaalsContact O-N 3.09Å; S78-S80 PolarHBondContact O-N 3.01Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S80-N82 PolarHBondContact O-N 2.81Å; S80-N82 VanDerWaalsContact O-N 3.15Å; S80-R83 PolarHBondContact O-N 2.76Å; S80-V84 WeakPolarHBondContact O-CG2 3.46Å; S80-V84 PolarHBondContact O-N 2.86Å
81W96.2Very high96.1Very high12 Ų1238.3 Ų38.35%0.04518%0.178CC..Hα-helixtrans-45.1-49.8-179.2-72.7143.4000112.9L74 L77 S78 R83 V84 I85 L94 S118 F119 H122L74-W81 HydrophobicContact CD2-CH2 4.48Å; L77-W81 HydrophobicContact CB-CE3 4.47Å; L77-W81 HydrophobicContact CB-CH2 4.48Å; L77-W81 HydrophobicContact CB-CZ3 3.74Å; S78-W81 VanDerWaalsContact CA-CH2 3.45Å; W81-R83 PolarHBondContact O-N 3.47Å; W81-V84 PolarHBondContact O-N 3.18Å; W81-I85 HydrophobicContact CB-CD1 4.13Å; W81-I85 VanDerWaalsContact O-CB 3.23Å; W81-I85 WeakPolarHBondContact O-CB 3.47Å; W81-I85 WeakPolarHBondContact O-CD1 3.34Å; W81-I85 WeakPolarHBondContact O-CG1 3.35Å; W81-I85 PolarHBondContact O-N 2.96Å; W81-L94 HydrophobicContact CE3-CD1 4.42Å; W81-L94 HydrophobicContact CE3-CD2 4.46Å; W81-L94 HydrophobicContact CH2-CD1 4.33Å; W81-L94 HydrophobicContact CZ3-CD1 3.67Å; W81-L94 HydrophobicContact CZ3-CD2 4.48Å; W81-S118 PolarHBondContact NE1-OG 3.03Å; W81-F119 HydrophobicContact CZ2-CB 4.03Å; W81-H122 AromaticContact CD1-CG 3.65Å; W81-H122 AromaticContact CD1-ND1 3.91Å; W81-H122 HydrophobicContact CG-CB 4.35Å; W81-H122 AromaticContact CG-CG 3.96Å
82N95.2Very high96.1Very high82 Ų8241.5 Ų41.544%0.43919%0.192SC..Hα-helixtrans-53.6-49.4178.961.6-24.2000113.5S80 D86 Y130S80-N82 PolarHBondContact O-N 2.81Å; S80-N82 VanDerWaalsContact O-N 3.15Å; N82-D86 WeakPolarHBondContact O-CB 3.28Å; N82-D86 PolarHBondContact O-N 2.83Å; N82-D86 VanDerWaalsContact O-N 3.09Å; N82-Y130 VanDerWaalsContact CA-OH 3.24Å; N82-Y130 WeakPolarHBondContact CA-OH 3.4Å; N82-Y130 WeakPolarHBondContact CB-OH 3.41Å
83R95.2Very high96Very high99 Ų9939.7 Ų39.737%0.37418%0.184SC..Hα-helixtrans-75.7-30-177.6-61.2-177.161.4-171.3-0.9112.6W46 S80 W81 S87W46-R83 HydrophobicContact CH2-CB 3.42Å; W46-R83 VanDerWaalsContact CH2-CB 3.42Å; W46-R83 HydrophobicContact CZ2-CB 3.53Å; W46-R83 HydrophobicContact CZ2-CG 4.37Å; S80-R83 PolarHBondContact O-N 2.76Å; W81-R83 PolarHBondContact O-N 3.47Å; R83-S87 WeakPolarHBondContact O-CB 3.38Å; R83-S87 PolarHBondContact O-N 3.41Å
84V96.9Very high96Very high0 Ų039.7 Ų39.70%018%0.184CC..Hα-helixtrans-70.1-47.2175.1174.60000110.1W46 L77 S80 W81 S87 A90 Y91 L94W46-V84 HydrophobicContact CD2-CG2 4.18Å; W46-V84 HydrophobicContact CE3-CG2 3.73Å; W46-V84 HydrophobicContact CH2-CG2 4.24Å; W46-V84 HydrophobicContact CZ3-CG2 3.77Å; L77-V84 HydrophobicContact CB-CG2 4.44Å; L77-V84 HydrophobicContact CD2-CG1 4.33Å; L77-V84 HydrophobicContact CD2-CG2 4.1Å; S80-V84 WeakPolarHBondContact O-CG2 3.46Å; S80-V84 PolarHBondContact O-N 2.86Å; W81-V84 PolarHBondContact O-N 3.18Å; V84-S87 VanDerWaalsContact O-CB 3.32Å; V84-S87 WeakPolarHBondContact O-CB 3.33Å; V84-S87 PolarHBondContact O-N 3.34Å; V84-S87 PolarHBondContact O-OG 2.96Å; V84-A90 HydrophobicContact CG1-CB 4.26Å; V84-Y91 PolarHBondContact O-N 3.41Å; V84-L94 HydrophobicContact CG1-CB 4Å; V84-L94 HydrophobicContact CG1-CD2 4.04Å
85I97.3Very high96Very high0 Ų040.7 Ų40.70%019%0.189CC..Hα-helixtrans-65.7-38.8-177.9-69.6168.5000111.9W81 S87 L94 F119 M123 Y130 A136 T139W81-I85 HydrophobicContact CB-CD1 4.13Å; W81-I85 VanDerWaalsContact O-CB 3.23Å; W81-I85 WeakPolarHBondContact O-CB 3.47Å; W81-I85 WeakPolarHBondContact O-CD1 3.34Å; W81-I85 WeakPolarHBondContact O-CG1 3.35Å; W81-I85 PolarHBondContact O-N 2.96Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-L94 HydrophobicContact CG1-CD2 3.81Å; I85-F119 HydrophobicContact CD1-CE2 4.13Å; I85-M123 HydrophobicContact CD1-SD 3.7Å; I85-Y130 HydrophobicContact CD1-CE2 4.16Å; I85-Y130 HydrophobicContact CG2-CD1 4.26Å; I85-Y130 HydrophobicContact CG2-CD2 4.14Å; I85-Y130 HydrophobicContact CG2-CE1 4.25Å; I85-Y130 HydrophobicContact CG2-CE2 4.09Å; I85-Y130 HydrophobicContact CG2-CG 4.24Å; I85-A136 HydrophobicContact CG2-CB 3.66Å; I85-T139 HydrophobicContact CD1-CG2 4.31Å; I85-T139 HydrophobicContact CG1-CG2 4.04Å; I85-T139 HydrophobicContact CG2-CG2 4.09Å
86D94.1Very high95.9Very high55 Ų5539.3 Ų39.329%0.29418%0.182SC..THydrogen-bonded Turntrans-850.6177.9-17016.4000113.4N82 N133N82-D86 WeakPolarHBondContact O-CB 3.28Å; N82-D86 PolarHBondContact O-N 2.83Å; N82-D86 VanDerWaalsContact O-N 3.09Å; D86-N133 PolarHBondContact OD1-ND2 3.27Å; D86-N133 PolarHBondContact OD1-OD1 3.1Å
87S94.2Very high96Very high0 Ų039 Ų390%018%0.181CC..SBendtrans-71.7159.3179.771.30000111.9L50 R83 V84 I85 F89 A90 Y91 H135L50-S87 VanDerWaalsContact CD2-CB 3.41Å; R83-S87 WeakPolarHBondContact O-CB 3.38Å; R83-S87 PolarHBondContact O-N 3.41Å; V84-S87 VanDerWaalsContact O-CB 3.32Å; V84-S87 WeakPolarHBondContact O-CB 3.33Å; V84-S87 PolarHBondContact O-N 3.34Å; V84-S87 PolarHBondContact O-OG 2.96Å; I85-S87 VanDerWaalsContact C-N 3.3Å; S87-F89 VanDerWaalsContact C-N 3.35Å; S87-A90 VanDerWaalsContact OG-CA 3.32Å; S87-A90 WeakPolarHBondContact OG-CA 3.36Å; S87-A90 VanDerWaalsContact OG-CB 3.28Å; S87-A90 WeakPolarHBondContact OG-CB 3.13Å; S87-A90 PolarHBondContact OG-N 2.85Å; S87-Y91 WeakPolarHBondContact O-CD1 3.47Å; S87-Y91 PolarHBondContact OG-N 3.27Å; S87-H135 VanDerWaalsContact O-CB 3.31Å; S87-H135 WeakPolarHBondContact O-CB 3.4Å
88K92.8Very high96Very high127 Ų12739 Ų3955%0.55218%0.181SC*.SBendtrans-74.5-23.4170.8-176.6171.5178.8176.20113.6Y91K88-Y91 WeakPolarHBondContact O-CE1 3.47Å
89F94.7Very high95.9Very high55 Ų5540.8 Ų40.824%0.24119%0.185CC..SBendtrans-132.3-48.2-171.1-63.1-70.2000113.5L50 P52 C55 S87 Y91 H92L50-F89 WeakPolarHBondContact O-CD2 3.42Å; P52-F89 HydrophobicContact CB-CD1 4.02Å; P52-F89 HydrophobicContact CB-CE1 3.69Å; P52-F89 HydrophobicContact CB-CE2 4.27Å; P52-F89 HydrophobicContact CB-CG 4.46Å; P52-F89 HydrophobicContact CB-CZ 3.8Å; P52-F89 HydrophobicContact CG-CE2 4.36Å; P52-F89 HydrophobicContact CG-CZ 4.13Å; C55-F89 HydrophobicContact CB-CB 4.15Å; C55-F89 PolarHBondContact SG-O 3.5Å; S87-F89 VanDerWaalsContact C-N 3.35Å; F89-Y91 PolarHBondContact O-N 2.9Å; F89-H92 WeakPolarHBondContact O-CB 3.41Å; F89-H92 PolarHBondContact O-CD2 3.13Å; F89-H92 PolarHBondContact O-N 3Å
90A96Very high95.9Very high0 Ų036 Ų360%016%0.164CC..Hα-helixtrans-59.8-20.6-174.100000114.4W46 A49 L50 V84 S87 H92 L93 L94W46-A90 HydrophobicContact CZ3-CB 4.4Å; A49-A90 HydrophobicContact CB-CB 3.98Å; L50-A90 HydrophobicContact CD2-CB 4.29Å; V84-A90 HydrophobicContact CG1-CB 4.26Å; S87-A90 VanDerWaalsContact OG-CA 3.32Å; S87-A90 WeakPolarHBondContact OG-CA 3.36Å; S87-A90 VanDerWaalsContact OG-CB 3.28Å; S87-A90 WeakPolarHBondContact OG-CB 3.13Å; S87-A90 PolarHBondContact OG-N 2.85Å; A90-H92 VanDerWaalsContact C-N 3.26Å; A90-H92 PolarHBondContact O-N 3.01Å; A90-L93 WeakPolarHBondContact O-CB 3.45Å; A90-L93 PolarHBondContact O-N 3.46Å; A90-L94 PolarHBondContact O-N 3.35Å; A90-L94 VanDerWaalsContact O-N 3.16Å
91Y96.1Very high95.9Very high18 Ų1834.8 Ų34.87%0.07116%0.156CC..Hα-helixtrans-64.7-29.3172.179.8-92.8000112.7V84 S87 K88 F89 L93 L94 H95 H138V84-Y91 PolarHBondContact O-N 3.41Å; S87-Y91 WeakPolarHBondContact O-CD1 3.47Å; S87-Y91 PolarHBondContact OG-N 3.27Å; K88-Y91 WeakPolarHBondContact O-CE1 3.47Å; F89-Y91 PolarHBondContact O-N 2.9Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; Y91-L94 WeakPolarHBondContact O-CB 3.34Å; Y91-L94 PolarHBondContact O-N 3.41Å; Y91-H95 AromaticContact CD2-CE1 3.39Å; Y91-H95 WeakPolarHBondContact CD2-CE1 3.48Å; Y91-H95 AromaticContact CD2-ND1 3.83Å; Y91-H95 AromaticContact CD2-NE2 3.65Å; Y91-H95 AromaticContact CE2-CE1 3.92Å; Y91-H95 PolarHBondContact O-CD2 3.19Å; Y91-H95 PolarHBondContact O-N 3.4Å; Y91-H138 HydrophobicContact CD2-CB 4.3Å; Y91-H138 HydrophobicContact CE2-CB 3.85Å
92H96.6Very high95.7Very high72 Ų7234.4 Ų34.433%0.33316%0.155SC..Hα-helixtrans-63.3-43.5175.5-70-66.7000111F89 A90 L94 H95 K96F89-H92 WeakPolarHBondContact O-CB 3.41Å; F89-H92 PolarHBondContact O-CD2 3.13Å; F89-H92 PolarHBondContact O-N 3Å; A90-H92 VanDerWaalsContact C-N 3.26Å; A90-H92 PolarHBondContact O-N 3.01Å; H92-L94 PolarHBondContact O-N 3.31Å; H92-H95 PolarHBondContact O-N 3.36Å; H92-K96 PolarHBondContact O-N 3.09Å
93L96.8Very high95.6Very high0 Ų032.8 Ų32.80%015%0.148CC..Hα-helixtrans-58.7-47.1173.7-17664.4000111.4F41 A49 L58 E59 I62 L73 L77 A90 Y91 H95 K96 A97F41-L93 HydrophobicContact CE1-CD2 4.34Å; F41-L93 HydrophobicContact CZ-CD2 4.27Å; A49-L93 HydrophobicContact CB-CD2 4.19Å; L58-L93 HydrophobicContact CB-CD1 3.56Å; L58-L93 HydrophobicContact CB-CD2 3.96Å; L58-L93 HydrophobicContact CB-CG 4.42Å; L58-L93 HydrophobicContact CD1-CD2 3.85Å; E59-L93 HydrophobicContact CG-CB 4.31Å; E59-L93 HydrophobicContact CG-CD1 4.04Å; I62-L93 HydrophobicContact CD1-CD1 3.6Å; L73-L93 HydrophobicContact CD1-CD2 4.17Å; L73-L93 HydrophobicContact CD2-CD1 4.2Å; L73-L93 HydrophobicContact CD2-CG 4.42Å; L77-L93 HydrophobicContact CD1-CG 4.47Å; L77-L93 HydrophobicContact CD2-CD2 4.47Å; A90-L93 WeakPolarHBondContact O-CB 3.45Å; A90-L93 PolarHBondContact O-N 3.46Å; Y91-L93 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.15Å; L93-K96 PolarHBondContact O-N 2.91Å; L93-A97 PolarHBondContact O-N 3.21Å
94L97.7Very high95.3Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-58.4-47.6175176.160000111.8L74 L77 W81 V84 I85 A90 Y91 H92 K96 A97 L98 F119L74-L94 HydrophobicContact CD2-CD1 4.04Å; L77-L94 HydrophobicContact CD1-CB 4.26Å; L77-L94 HydrophobicContact CD1-CD1 4.28Å; W81-L94 HydrophobicContact CE3-CD1 4.42Å; W81-L94 HydrophobicContact CE3-CD2 4.46Å; W81-L94 HydrophobicContact CH2-CD1 4.33Å; W81-L94 HydrophobicContact CZ3-CD1 3.67Å; W81-L94 HydrophobicContact CZ3-CD2 4.48Å; V84-L94 HydrophobicContact CG1-CB 4Å; V84-L94 HydrophobicContact CG1-CD2 4.04Å; I85-L94 HydrophobicContact CG1-CD2 3.81Å; A90-L94 PolarHBondContact O-N 3.35Å; A90-L94 VanDerWaalsContact O-N 3.16Å; Y91-L94 WeakPolarHBondContact O-CB 3.34Å; Y91-L94 PolarHBondContact O-N 3.41Å; H92-L94 PolarHBondContact O-N 3.31Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-A97 PolarHBondContact O-N 3.5Å; L94-L98 HydrophobicContact CD1-CD1 3.89Å; L94-L98 HydrophobicContact CD1-CD2 4.39Å; L94-L98 HydrophobicContact CD1-CG 3.89Å; L94-L98 HydrophobicContact CG-CD1 3.84Å; L94-L98 HydrophobicContact CG-CG 4.27Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 2.67Å; L94-F119 HydrophobicContact CD2-CE2 4.1Å
95H96.7Very high94.9Very high22 Ų2238 Ų3810%0.10219%0.191CC..Hα-helixtrans-61.1-43.5-178.5-70-168.4000111.4Y91 H92 L93 L98 F99 T139Y91-H95 AromaticContact CD2-CE1 3.39Å; Y91-H95 WeakPolarHBondContact CD2-CE1 3.48Å; Y91-H95 AromaticContact CD2-ND1 3.83Å; Y91-H95 AromaticContact CD2-NE2 3.65Å; Y91-H95 AromaticContact CE2-CE1 3.92Å; Y91-H95 PolarHBondContact O-CD2 3.19Å; Y91-H95 PolarHBondContact O-N 3.4Å; H92-H95 PolarHBondContact O-N 3.36Å; L93-H95 PolarHBondContact O-N 3.15Å; H95-L98 PolarHBondContact O-N 2.6Å; H95-F99 WeakPolarHBondContact O-CD2 3.35Å; H95-F99 PolarHBondContact O-N 3.38Å; H95-T139 WeakPolarHBondContact NE2-CA 3.36Å; H95-T139 PolarHBondContact NE2-OG1 3.14Å
96K96.5Very high94.8Very high75 Ų7538.3 Ų38.333%0.32619%0.192SC..Hα-helixtrans-65.6-39.2179.2-159.6173.2-176-179.50111.7E59 I62 H92 L93 L94 K100E59-K96 HydrophobicContact CB-CD 3.8Å; E59-K96 HydrophobicContact CG-CD 4.2Å; E59-K96 VanDerWaalsContact O-CD 3.28Å; E59-K96 WeakPolarHBondContact O-CD 3.33Å; E59-K96 WeakPolarHBondContact O-CE 3.48Å; E59-K96 PolarHBondContact O-NZ 3.42Å; I62-K96 HydrophobicContact CB-CD 4.27Å; I62-K96 HydrophobicContact CB-CG 4.26Å; I62-K96 HydrophobicContact CD1-CB 3.87Å; I62-K96 HydrophobicContact CD1-CD 4.37Å; I62-K96 HydrophobicContact CD1-CG 4.16Å; I62-K96 HydrophobicContact CG2-CD 4.43Å; I62-K96 HydrophobicContact CG2-CG 3.91Å; H92-K96 PolarHBondContact O-N 3.09Å; L93-K96 PolarHBondContact O-N 2.91Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 2.96Å; K96-K100 WeakPolarHBondContact O-CB 3.27Å; K96-K100 PolarHBondContact O-N 3.29Å
97A97.4Very high94.6Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-64.4-48.917400000111.6I62 L73 L74 L93 L94 F99 K100 C101I62-A97 HydrophobicContact CD1-CB 4.15Å; L73-A97 HydrophobicContact CD2-CB 4.12Å; L74-A97 HydrophobicContact CD2-CB 3.89Å; L74-A97 HydrophobicContact CG-CB 4.35Å; L93-A97 PolarHBondContact O-N 3.21Å; L94-A97 PolarHBondContact O-N 3.5Å; A97-F99 VanDerWaalsContact C-N 3.33Å; A97-F99 PolarHBondContact O-N 3.27Å; A97-K100 WeakPolarHBondContact O-CB 3.44Å; A97-K100 PolarHBondContact O-N 3.08Å; A97-K100 VanDerWaalsContact O-N 3.13Å; A97-C101 PolarHBondContact O-N 3.27Å; A97-C101 PolarHBondContact O-SG 3.14Å
98L97.3Very high94.3Very high1 Ų142 Ų421%0.00522%0.216CC..Hα-helixtrans-59.6-40.9178.4-70.3173.8000112.5L74 L94 H95 C101 I116 F119 I142 I146L74-L98 HydrophobicContact CD2-CD2 4.34Å; L94-L98 HydrophobicContact CD1-CD1 3.89Å; L94-L98 HydrophobicContact CD1-CD2 4.39Å; L94-L98 HydrophobicContact CD1-CG 3.89Å; L94-L98 HydrophobicContact CG-CD1 3.84Å; L94-L98 HydrophobicContact CG-CG 4.27Å; L94-L98 WeakPolarHBondContact O-CB 3.39Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 2.67Å; H95-L98 PolarHBondContact O-N 2.6Å; L98-C101 PolarHBondContact O-N 3.47Å; L98-I116 HydrophobicContact CD2-CG1 4.27Å; L98-F119 HydrophobicContact CD1-CD1 4.26Å; L98-F119 HydrophobicContact CD1-CD2 4.36Å; L98-F119 HydrophobicContact CD1-CE1 3.8Å; L98-F119 HydrophobicContact CD1-CE2 3.91Å; L98-F119 HydrophobicContact CD1-CZ 3.6Å; L98-F119 HydrophobicContact CD2-CD1 4.23Å; L98-F119 HydrophobicContact CD2-CG 4.37Å; L98-I142 HydrophobicContact CD1-CG2 4.04Å; L98-I146 HydrophobicContact CB-CD1 3.9Å; L98-I146 HydrophobicContact CB-CG1 4.27Å; L98-I146 HydrophobicContact CD1-CG1 4.47Å
99F94.8Very high94.4Very high66 Ų6638.4 Ų38.429%0.28920%0.203SC..Hα-helixtrans-68.3-37.1175.5-78.9-54.2000112.8H95 A97 C101 Q102 I142 R151H95-F99 WeakPolarHBondContact O-CD2 3.35Å; H95-F99 PolarHBondContact O-N 3.38Å; A97-F99 VanDerWaalsContact C-N 3.33Å; A97-F99 PolarHBondContact O-N 3.27Å; F99-C101 VanDerWaalsContact C-N 3.3Å; F99-C101 PolarHBondContact O-N 3.36Å; F99-Q102 PolarHBondContact O-N 3.46Å; F99-I142 HydrophobicContact CE1-CD1 4.31Å; F99-I142 HydrophobicContact CE2-CD1 3.51Å; F99-I142 HydrophobicContact CZ-CD1 3.31Å; F99-R151 PolarHBondContact O-NH2 3.4Å
100K95.2Very high94.4Very high47 Ų4743.4 Ų43.420%0.20423%0.228CC..Hα-helixtrans-60.1-42.4174.7-174.875.5176.2-166.60110.5I62 A63 A65 I70 K96 A97 Q102 T103 Y106I62-K100 HydrophobicContact CG2-CB 3.91Å; I62-K100 HydrophobicContact CG2-CD 4.38Å; I62-K100 HydrophobicContact CG2-CG 4.13Å; A63-K100 PolarHBondContact O-NZ 3.34Å; A65-K100 WeakPolarHBondContact O-CE 3.44Å; I70-K100 HydrophobicContact CD1-CG 4.13Å; I70-K100 HydrophobicContact CG1-CG 4.04Å; K96-K100 WeakPolarHBondContact O-CB 3.27Å; K96-K100 PolarHBondContact O-N 3.29Å; A97-K100 WeakPolarHBondContact O-CB 3.44Å; A97-K100 PolarHBondContact O-N 3.08Å; A97-K100 VanDerWaalsContact O-N 3.13Å; K100-Q102 PolarHBondContact O-N 2.79Å; K100-T103 PolarHBondContact O-N 3.09Å; K100-T103 VanDerWaalsContact O-N 3.13Å; K100-T103 PolarHBondContact O-OG1 3.2Å; K100-Y106 WeakPolarHBondContact CE-OH 3.14Å; K100-Y106 HydrophobicContact CG-CD1 4.36Å; K100-Y106 HydrophobicContact CG-CE1 4.02Å
101C96.1Very high94.4Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-57.5-25.9178.4-64.60000114.6I70 L74 A97 L98 F99 T103 Y106 N107 I112 I116 Y171I70-C101 WeakPolarHBondContact CG2-SG 3.47Å; L74-C101 VanDerWaalsContact CD1-SG 3.53Å; A97-C101 PolarHBondContact O-N 3.27Å; A97-C101 PolarHBondContact O-SG 3.14Å; L98-C101 PolarHBondContact O-N 3.47Å; F99-C101 VanDerWaalsContact C-N 3.3Å; F99-C101 PolarHBondContact O-N 3.36Å; C101-T103 PolarHBondContact O-N 2.95Å; C101-Y106 WeakPolarHBondContact O-CB 3.45Å; C101-N107 PolarHBondContact O-N 3.44Å; C101-I112 HydrophobicContact CB-CG2 3.85Å; C101-I116 HydrophobicContact CB-CD1 3.59Å; C101-Y171 WeakPolarHBondContact CB-OH 3.33Å; C101-Y171 PolarHBondContact O-OH 3.01Å
102Q93Very high94.4Very high4 Ų446.4 Ų46.42%0.01924%0.244CC..THydrogen-bonded Turntrans-76.60.8-179.2-74.1-175.7-37.900113.9F99 K100 Q145 I146 R151 V168 Y171F99-Q102 PolarHBondContact O-N 3.46Å; K100-Q102 PolarHBondContact O-N 2.79Å; Q102-Q145 PolarHBondContact NE2-O 3.49Å; Q102-I146 HydrophobicContact CG-CD1 4.09Å; Q102-R151 VanDerWaalsContact CB-NH2 3.28Å; Q102-R151 PolarHBondContact O-NH2 3.5Å; Q102-R151 VanDerWaalsContact OE1-NE 3.16Å; Q102-V168 HydrophobicContact CB-CG1 4.06Å; Q102-V168 HydrophobicContact CB-CG2 4.4Å; Q102-V168 HydrophobicContact CG-CG1 4.48Å; Q102-V168 WeakPolarHBondContact O-CG1 3.44Å; Q102-Y171 WeakPolarHBondContact CA-OH 3.38Å; Q102-Y171 HydrophobicContact CG-CE2 4.37Å; Q102-Y171 PolarHBondContact N-OH 3.09Å
103T91.8Very high94.3Very high48 Ų4844 Ų4429%0.29424%0.235SC..SBendtrans-81.6153.4170.257.30000110.4K100 C101 E105 Y106 N107 R151K100-T103 PolarHBondContact O-N 3.09Å; K100-T103 VanDerWaalsContact O-N 3.13Å; K100-T103 PolarHBondContact O-OG1 3.2Å; C101-T103 PolarHBondContact O-N 2.95Å; T103-E105 PolarHBondContact O-N 3.13Å; T103-E105 VanDerWaalsContact O-N 3.15Å; T103-Y106 PolarHBondContact O-N 3.29Å; T103-Y106 WeakPolarHBondContact OG1-CD2 3.34Å; T103-Y106 WeakPolarHBondContact OG1-CE2 3.39Å; T103-N107 WeakPolarHBondContact O-CB 3.13Å; T103-N107 PolarHBondContact O-N 2.83Å; T103-N107 VanDerWaalsContact O-N 3.1Å; T103-R151 VanDerWaalsContact CG2-NH2 3.33Å
104A88.3Confident94.3Very high87 Ų8748.4 Ų48.472%0.71926%0.258SS*.Hα-helixtrans-54.8-37-172.900000113.7Y106A104-Y106 VanDerWaalsContact C-N 3.27Å; A104-Y106 PolarHBondContact O-N 3.06Å
105E90.4Very high94.3Very high122 Ų12249.2 Ų49.257%0.5726%0.262SS*.Hα-helixtrans-61.3-30.3179.2-177.6-168.5171.600113.7V67 T103V67-E105 HydrophobicContact CG2-CG 3.87Å; V67-E105 WeakPolarHBondContact CG2-O 3.45Å; T103-E105 PolarHBondContact O-N 3.13Å; T103-E105 VanDerWaalsContact O-N 3.15Å
106Y94Very high94.3Very high5 Ų548.2 Ų48.22%0.0226%0.258CS..Hα-helixtrans-105-25.8-171.4-61.1-109.6000111.5A65 N66 V67 I70 K100 C101 T103 A104 T108 D109 I112A65-Y106 PolarHBondContact O-OH 3.02Å; N66-Y106 VanDerWaalsContact C-CE1 3.45Å; N66-Y106 WeakPolarHBondContact CA-OH 3.16Å; V67-Y106 HydrophobicContact CB-CD1 4.36Å; V67-Y106 HydrophobicContact CB-CE1 4.47Å; V67-Y106 HydrophobicContact CG2-CD1 3.96Å; V67-Y106 HydrophobicContact CG2-CD2 4.46Å; V67-Y106 HydrophobicContact CG2-CE1 4.09Å; V67-Y106 HydrophobicContact CG2-CG 4.11Å; I70-Y106 HydrophobicContact CB-CD1 4.1Å; I70-Y106 HydrophobicContact CB-CE1 4.09Å; I70-Y106 HydrophobicContact CG1-CD1 4.09Å; I70-Y106 HydrophobicContact CG1-CE1 3.63Å; I70-Y106 HydrophobicContact CG2-CD1 4.33Å; K100-Y106 WeakPolarHBondContact CE-OH 3.14Å; K100-Y106 HydrophobicContact CG-CD1 4.36Å; K100-Y106 HydrophobicContact CG-CE1 4.02Å; C101-Y106 WeakPolarHBondContact O-CB 3.45Å; T103-Y106 PolarHBondContact O-N 3.29Å; T103-Y106 WeakPolarHBondContact OG1-CD2 3.34Å; T103-Y106 WeakPolarHBondContact OG1-CE2 3.39Å; A104-Y106 VanDerWaalsContact C-N 3.27Å; A104-Y106 PolarHBondContact O-N 3.06Å; Y106-T108 PolarHBondContact O-N 3.46Å; Y106-D109 PolarHBondContact O-N 3.19Å; Y106-I112 HydrophobicContact CD1-CD1 3.95Å; Y106-I112 HydrophobicContact CG-CD1 4.36Å
107N89.3Confident94.3Very high18 Ų1849.8 Ų49.810%0.09626%0.262CS..Hα-helixtrans-66.9-21.9-172.9-173.4-90.8000113.2C101 T103 T169 Y171C101-N107 PolarHBondContact O-N 3.44Å; T103-N107 WeakPolarHBondContact O-CB 3.13Å; T103-N107 PolarHBondContact O-N 2.83Å; T103-N107 VanDerWaalsContact O-N 3.1Å; N107-T169 PolarHBondContact ND2-O 3.32Å; N107-T169 WeakPolarHBondContact OD1-CB 3.48Å; N107-Y171 HydrophobicContact CB-CE1 4.43Å; N107-Y171 WeakPolarHBondContact ND2-CE1 3.4Å; N107-Y171 VanDerWaalsContact ND2-CZ 3.29Å; N107-Y171 PolarHBondContact ND2-OH 2.91Å
108T88.8Confident94.2Very high114 Ų11452.4 Ų52.470%0.69928%0.28SS*.THydrogen-bonded Turntrans-94.6-7-177.556.20000114.3Y106Y106-T108 PolarHBondContact O-N 3.46Å
109D95Very high94.3Very high52 Ų5252.4 Ų52.428%0.27828%0.28SS..  trans-75.8126.7-179.4177.4-92.9000111.2V67 Y106 L111 I112 V113V67-D109 HydrophobicContact CG1-CB 3.55Å; Y106-D109 PolarHBondContact O-N 3.19Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 2.98Å; D109-L111 WeakPolarHBondContact OD1-CB 3.46Å; D109-L111 PolarHBondContact OD1-N 3.3Å; D109-L111 VanDerWaalsContact OD1-N 3.12Å; D109-I112 HydrophobicContact CB-CB 4.1Å; D109-I112 HydrophobicContact CB-CD1 4.13Å; D109-I112 HydrophobicContact CB-CG1 4.15Å; D109-I112 PolarHBondContact O-N 3.4Å; D109-I112 WeakPolarHBondContact OD1-CG1 3.38Å; D109-I112 PolarHBondContact OD1-N 2.78Å; D109-V113 VanDerWaalsContact O-CG2 3.23Å; D109-V113 WeakPolarHBondContact O-CG2 3.32Å; D109-V113 PolarHBondContact O-N 3.23Å
110E94.7Very high94.4Very high161 Ų16150 Ų5075%0.75227%0.271SS*.Hα-helixtrans-59.9-41.7-174.8-65.9-177.117100112.3V113 D114E110-V113 WeakPolarHBondContact O-CB 3.32Å; E110-V113 PolarHBondContact O-N 3.39Å; E110-D114 PolarHBondContact O-N 2.62Å
111L95.5Very high94.5Very high80 Ų8051.3 Ų51.342%0.41928%0.284SS..Hα-helixtrans-68.8-39.6-179.2179.860.5000111.4A71 D109 D114 L115A71-L111 HydrophobicContact CB-CD2 3.8Å; A71-L111 HydrophobicContact CB-CG 4.13Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 2.98Å; D109-L111 WeakPolarHBondContact OD1-CB 3.46Å; D109-L111 PolarHBondContact OD1-N 3.3Å; D109-L111 VanDerWaalsContact OD1-N 3.12Å; L111-D114 PolarHBondContact O-N 2.9Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.33Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 WeakPolarHBondContact O-CB 3.13Å; L111-L115 WeakPolarHBondContact O-CD1 3.22Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.28Å
112I96.6Very high94.5Very high0 Ų052.9 Ų52.90%029%0.291CS..Hα-helixtrans-62.5-44.9173-71-177.7000110.7V67 I70 A71 C101 Y106 D109 D114 L115 I116 Y171V67-I112 HydrophobicContact CG1-CD1 3.79Å; I70-I112 HydrophobicContact CG2-CD1 4.42Å; A71-I112 HydrophobicContact CB-CG1 3.89Å; C101-I112 HydrophobicContact CB-CG2 3.85Å; Y106-I112 HydrophobicContact CD1-CD1 3.95Å; Y106-I112 HydrophobicContact CG-CD1 4.36Å; D109-I112 HydrophobicContact CB-CB 4.1Å; D109-I112 HydrophobicContact CB-CD1 4.13Å; D109-I112 HydrophobicContact CB-CG1 4.15Å; D109-I112 PolarHBondContact O-N 3.4Å; D109-I112 WeakPolarHBondContact OD1-CG1 3.38Å; D109-I112 PolarHBondContact OD1-N 2.78Å; I112-D114 VanDerWaalsContact C-N 3.33Å; I112-D114 PolarHBondContact O-N 2.96Å; I112-L115 PolarHBondContact O-N 2.92Å; I112-I116 HydrophobicContact CG2-CD1 3.65Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CB 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.31Å; I112-I116 PolarHBondContact O-N 3.48Å; I112-Y171 HydrophobicContact CG2-CE1 4.23Å
113V95.4Very high94.7Very high22 Ų2252.7 Ų52.713%0.13329%0.29CS..Hα-helixtrans-57.2-47.7177.5170.80000110.4D109 E110 I116 R117 Y171D109-V113 VanDerWaalsContact O-CG2 3.23Å; D109-V113 WeakPolarHBondContact O-CG2 3.32Å; D109-V113 PolarHBondContact O-N 3.23Å; E110-V113 WeakPolarHBondContact O-CB 3.32Å; E110-V113 PolarHBondContact O-N 3.39Å; V113-I116 PolarHBondContact O-N 3.45Å; V113-R117 WeakPolarHBondContact O-CG 3.45Å; V113-R117 PolarHBondContact O-N 3.36Å; V113-Y171 HydrophobicContact CG2-CD1 3.99Å
114D96.2Very high94.9Very high92 Ų9255.5 Ų55.549%0.49230%0.298SS..Hα-helixtrans-65.3-42.4179.7-76.6-14.1000113E110 L111 I112 I116 R117 S118E110-D114 PolarHBondContact O-N 2.62Å; L111-D114 PolarHBondContact O-N 2.9Å; I112-D114 VanDerWaalsContact C-N 3.33Å; I112-D114 PolarHBondContact O-N 2.96Å; D114-I116 VanDerWaalsContact C-N 3.33Å; D114-I116 PolarHBondContact O-N 3.05Å; D114-R117 PolarHBondContact O-N 3.5Å; D114-R117 IonicContact OD1-NH1 2.91Å; D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 3.34Å
115L97.2Very high95.3Very high17 Ų1758 Ų589%0.08929%0.294CS..Hα-helixtrans-64.5-37.7176.8-73.4165.3000111.9A71 L74 K75 L111 I112 S118 F119A71-L115 WeakPolarHBondContact O-CD1 3.21Å; L74-L115 HydrophobicContact CB-CB 4.39Å; L74-L115 HydrophobicContact CB-CD1 3.77Å; K75-L115 HydrophobicContact CB-CD1 4.33Å; K75-L115 HydrophobicContact CB-CD2 4.46Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.33Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 WeakPolarHBondContact O-CB 3.13Å; L111-L115 WeakPolarHBondContact O-CD1 3.22Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.28Å; I112-L115 PolarHBondContact O-N 2.92Å; L115-S118 PolarHBondContact O-N 3.46Å; L115-F119 WeakPolarHBondContact O-CB 3.44Å; L115-F119 PolarHBondContact O-N 3.09Å
116I96.9Very high95.6Very high1 Ų154.5 Ų54.51%0.00528%0.28CS..Hα-helixtrans-72.3-38176.9-70.8173.3000111.4L98 C101 I112 V113 D114 F119 C120 I146 Y171L98-I116 HydrophobicContact CD2-CG1 4.27Å; C101-I116 HydrophobicContact CB-CD1 3.59Å; I112-I116 HydrophobicContact CG2-CD1 3.65Å; I112-I116 HydrophobicContact CG2-CG1 4.4Å; I112-I116 WeakPolarHBondContact O-CB 3.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.31Å; I112-I116 PolarHBondContact O-N 3.48Å; V113-I116 PolarHBondContact O-N 3.45Å; D114-I116 VanDerWaalsContact C-N 3.33Å; D114-I116 PolarHBondContact O-N 3.05Å; I116-F119 PolarHBondContact O-N 3.35Å; I116-C120 WeakPolarHBondContact O-CB 3.37Å; I116-C120 PolarHBondContact O-N 3.42Å; I116-C120 PolarHBondContact O-SG 2.93Å; I116-C120 VanDerWaalsContact O-SG 3.39Å; I116-I146 HydrophobicContact CG2-CG2 3.5Å; I116-Y171 HydrophobicContact CB-CD1 4.36Å; I116-Y171 HydrophobicContact CB-CD2 4.4Å; I116-Y171 HydrophobicContact CB-CG 4.21Å; I116-Y171 HydrophobicContact CD1-CD1 3.9Å; I116-Y171 HydrophobicContact CD1-CD2 4.12Å; I116-Y171 HydrophobicContact CD1-CE1 3.4Å; I116-Y171 HydrophobicContact CD1-CE2 3.63Å; I116-Y171 HydrophobicContact CD1-CG 4.24Å; I116-Y171 HydrophobicContact CG2-CD1 4.32Å; I116-Y171 HydrophobicContact CG2-CD2 3.54Å; I116-Y171 HydrophobicContact CG2-CE2 4.02Å; I116-Y171 HydrophobicContact CG2-CG 3.71Å
117R95.9Very high95.7Very high108 Ų10854.9 Ų54.941%0.40828%0.282SS..Hα-helixtrans-60.7-46.1171.5-74.2173-177.5166.2-1.3110.9V113 D114 F119 C120 T121 Y171V113-R117 WeakPolarHBondContact O-CG 3.45Å; V113-R117 PolarHBondContact O-N 3.36Å; D114-R117 PolarHBondContact O-N 3.5Å; D114-R117 IonicContact OD1-NH1 2.91Å; R117-F119 PolarHBondContact O-N 3.08Å; R117-C120 PolarHBondContact O-N 2.83Å; R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 3.41Å; R117-T121 VanDerWaalsContact O-OG1 3.13Å; R117-Y171 PolarHBondContact NE-O 3.14Å; R117-Y171 PolarHBondContact NH2-O 3.34Å
118S96.7Very high95.9Very high56 Ų5658.1 Ų58.139%0.39231%0.307SS..Hα-helixtrans-56.6-46.7173.71750000112.1W81 D114 L115 C120 T121 H122W81-S118 PolarHBondContact NE1-OG 3.03Å; D114-S118 WeakPolarHBondContact O-CB 3.45Å; D114-S118 PolarHBondContact O-N 3.34Å; L115-S118 PolarHBondContact O-N 3.46Å; S118-C120 PolarHBondContact O-N 3.47Å; S118-T121 PolarHBondContact O-N 3.49Å; S118-H122 WeakPolarHBondContact O-CB 3.25Å; S118-H122 PolarHBondContact O-N 3.02Å
119F97.9Very high96.1Very high0 Ų056.8 Ų56.80%030%0.298CS..Hα-helixtrans-59.1-46.5174.9167.6-99.1000112.1W81 I85 L94 L98 L115 I116 R117 T121 H122 M123 T139 I146W81-F119 HydrophobicContact CZ2-CB 4.03Å; I85-F119 HydrophobicContact CD1-CE2 4.13Å; L94-F119 HydrophobicContact CD2-CE2 4.1Å; L98-F119 HydrophobicContact CD1-CD1 4.26Å; L98-F119 HydrophobicContact CD1-CD2 4.36Å; L98-F119 HydrophobicContact CD1-CE1 3.8Å; L98-F119 HydrophobicContact CD1-CE2 3.91Å; L98-F119 HydrophobicContact CD1-CZ 3.6Å; L98-F119 HydrophobicContact CD2-CD1 4.23Å; L98-F119 HydrophobicContact CD2-CG 4.37Å; L115-F119 WeakPolarHBondContact O-CB 3.44Å; L115-F119 PolarHBondContact O-N 3.09Å; I116-F119 PolarHBondContact O-N 3.35Å; R117-F119 PolarHBondContact O-N 3.08Å; F119-T121 PolarHBondContact O-N 2.95Å; F119-H122 PolarHBondContact O-N 2.95Å; F119-M123 HydrophobicContact CD1-CG 4.42Å; F119-M123 HydrophobicContact CD2-CG 4.19Å; F119-M123 HydrophobicContact CE1-CG 3.94Å; F119-M123 HydrophobicContact CE2-CG 3.67Å; F119-M123 HydrophobicContact CE2-SD 4.05Å; F119-M123 HydrophobicContact CZ-CG 3.54Å; F119-M123 HydrophobicContact CZ-SD 4.14Å; F119-M123 WeakPolarHBondContact O-CB 3.38Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 3.5Å; F119-T139 HydrophobicContact CE2-CG2 3.87Å; F119-T139 HydrophobicContact CZ-CG2 3.78Å; F119-I146 HydrophobicContact CD1-CG2 4.45Å; F119-I146 HydrophobicContact CE1-CB 4.49Å; F119-I146 HydrophobicContact CE1-CG2 4.49Å
120C97.3Very high96.2Very high16 Ų1654.8 Ų54.811%0.10829%0.287CS..Hα-helixtrans-64.1-38.8179.7-77.20000112.7I116 R117 S118 K124 Y143I116-C120 WeakPolarHBondContact O-CB 3.37Å; I116-C120 PolarHBondContact O-N 3.42Å; I116-C120 PolarHBondContact O-SG 2.93Å; I116-C120 VanDerWaalsContact O-SG 3.39Å; R117-C120 PolarHBondContact O-N 2.83Å; S118-C120 PolarHBondContact O-N 3.47Å; C120-K124 WeakPolarHBondContact O-CB 3.35Å; C120-K124 PolarHBondContact O-N 3.16Å; C120-Y143 HydrophobicContact CB-CE2 4.04Å; C120-Y143 WeakPolarHBondContact O-CE2 3.09Å
121T96.5Very high96Very high75 Ų7548.3 Ų48.346%0.4626%0.257SS..Hα-helixtrans-63.5-49.5173.6-61.60000110.9R117 S118 F119 M123 K124 E125R117-T121 PolarHBondContact O-N 3.45Å; R117-T121 PolarHBondContact O-OG1 3.41Å; R117-T121 VanDerWaalsContact O-OG1 3.13Å; S118-T121 PolarHBondContact O-N 3.49Å; F119-T121 PolarHBondContact O-N 2.95Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.49Å; T121-K124 WeakPolarHBondContact O-CB 3.16Å; T121-K124 PolarHBondContact O-N 3.05Å; T121-E125 WeakPolarHBondContact CG2-OE1 3.3Å; T121-E125 WeakPolarHBondContact O-CG 3.29Å; T121-E125 PolarHBondContact O-N 3.42Å
122H97.6Very high95.7Very high33 Ų3349.5 Ų49.515%0.15327%0.268CS..Hα-helixtrans-57.4-44.3177-178.987.6000112.1W81 S118 F119 K124 E125 N126 Y130W81-H122 AromaticContact CD1-CG 3.65Å; W81-H122 AromaticContact CD1-ND1 3.91Å; W81-H122 HydrophobicContact CG-CB 4.35Å; W81-H122 AromaticContact CG-CG 3.96Å; S118-H122 WeakPolarHBondContact O-CB 3.25Å; S118-H122 PolarHBondContact O-N 3.02Å; F119-H122 PolarHBondContact O-N 2.95Å; H122-K124 PolarHBondContact O-N 3.42Å; H122-E125 PolarHBondContact O-N 2.89Å; H122-N126 PolarHBondContact CE1-ND2 3.19Å; H122-N126 WeakPolarHBondContact O-CB 3.29Å; H122-N126 PolarHBondContact O-N 2.92Å; H122-N126 VanDerWaalsContact O-N 3.15Å; H122-N126 PolarHBondContact O-ND2 3.45Å; H122-Y130 AromaticContact CD2-CE2 4Å; H122-Y130 AromaticContact NE2-CE2 3.72Å; H122-Y130 AromaticContact NE2-CZ 3.68Å; H122-Y130 PolarHBondContact NE2-OH 3.42Å
123M97.5Very high95.5Very high0 Ų051.3 Ų51.30%028%0.277CS..Hα-helixtrans-62.5-40.3175.8-75.9-56.8-61.600112.2I85 F119 T121 L127 Y130 T139 Y143I85-M123 HydrophobicContact CD1-SD 3.7Å; F119-M123 HydrophobicContact CD1-CG 4.42Å; F119-M123 HydrophobicContact CD2-CG 4.19Å; F119-M123 HydrophobicContact CE1-CG 3.94Å; F119-M123 HydrophobicContact CE2-CG 3.67Å; F119-M123 HydrophobicContact CE2-SD 4.05Å; F119-M123 HydrophobicContact CZ-CG 3.54Å; F119-M123 HydrophobicContact CZ-SD 4.14Å; F119-M123 WeakPolarHBondContact O-CB 3.38Å; F119-M123 WeakPolarHBondContact O-CG 3.45Å; F119-M123 PolarHBondContact O-N 3.5Å; T121-M123 VanDerWaalsContact C-N 3.31Å; T121-M123 PolarHBondContact O-N 3.49Å; M123-L127 WeakPolarHBondContact O-CA 3.33Å; M123-L127 VanDerWaalsContact O-CB 3.32Å; M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 PolarHBondContact O-N 2.89Å; M123-Y130 HydrophobicContact CE-CD2 4.02Å; M123-Y130 HydrophobicContact SD-CD2 3.92Å; M123-Y130 HydrophobicContact SD-CE2 4.08Å; M123-T139 HydrophobicContact CE-CG2 4.03Å; M123-T139 HydrophobicContact SD-CG2 3.78Å; M123-Y143 HydrophobicContact CB-CD1 4.15Å; M123-Y143 HydrophobicContact CB-CD2 3.5Å; M123-Y143 VanDerWaalsContact CB-CD2 3.5Å; M123-Y143 HydrophobicContact CB-CE1 4.31Å; M123-Y143 HydrophobicContact CB-CE2 3.69Å; M123-Y143 HydrophobicContact CB-CG 3.74Å; M123-Y143 HydrophobicContact CE-CG 4.32Å; M123-Y143 HydrophobicContact CG-CD2 3.94Å; M123-Y143 HydrophobicContact CG-CG 4.13Å
124K95.6Very high95.2Very high107 Ų10753.6 Ų53.647%0.46529%0.294SS..Hα-helixtrans-61.2-46.3178.1-173.9177.9-177.5170.30111.4C120 T121 H122 E181C120-K124 WeakPolarHBondContact O-CB 3.35Å; C120-K124 PolarHBondContact O-N 3.16Å; T121-K124 WeakPolarHBondContact O-CB 3.16Å; T121-K124 PolarHBondContact O-N 3.05Å; H122-K124 PolarHBondContact O-N 3.42Å; K124-E181 IonicContact NZ-OE2 3.89Å; K124-E181 PolarHBondContact NZ-OE2 3.08Å
125E96.5Very high95Very high138 Ų13851.8 Ų51.865%0.64528%0.283SS*.Hα-helixtrans-70.9-31-176.1-68.7170.1175.800113.1T121 H122T121-E125 WeakPolarHBondContact CG2-OE1 3.3Å; T121-E125 WeakPolarHBondContact O-CG 3.29Å; T121-E125 PolarHBondContact O-N 3.42Å; H122-E125 PolarHBondContact O-N 2.89Å
126N97Very high94.9Very high49 Ų4951 Ų5126%0.26228%0.278SS..Hα-helixtrans-109.35.4-172.5-65.3-87.3000114H122 S128 V129 Y130H122-N126 PolarHBondContact CE1-ND2 3.19Å; H122-N126 WeakPolarHBondContact O-CB 3.29Å; H122-N126 PolarHBondContact O-N 2.92Å; H122-N126 VanDerWaalsContact O-N 3.15Å; H122-N126 PolarHBondContact O-ND2 3.45Å; N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.21Å; N126-V129 PolarHBondContact O-N 3Å; N126-V129 VanDerWaalsContact O-N 3.11Å; N126-Y130 HydrophobicContact CB-CD2 3.89Å; N126-Y130 HydrophobicContact CB-CE1 4.47Å; N126-Y130 HydrophobicContact CB-CE2 3.38Å; N126-Y130 PolarHBondContact O-N 3.36Å; N126-Y130 VanDerWaalsContact O-N 3.13Å
127L95.6Very high94.8Very high13 Ų1351.1 Ų51.17%0.06828%0.279CS..Hα-helixtrans-56.7-41-172.6-173.561.8000112.8M123 V129 Y130 I131 C140 L182 F186 F204M123-L127 WeakPolarHBondContact O-CA 3.33Å; M123-L127 VanDerWaalsContact O-CB 3.32Å; M123-L127 WeakPolarHBondContact O-CB 3.41Å; M123-L127 PolarHBondContact O-N 2.89Å; L127-V129 PolarHBondContact O-N 2.8Å; L127-Y130 PolarHBondContact O-N 3.33Å; L127-I131 HydrophobicContact CD1-CG2 3.72Å; L127-I131 HydrophobicContact CG-CG2 3.98Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 VanDerWaalsContact O-CG2 3.32Å; L127-I131 WeakPolarHBondContact O-CG2 3.34Å; L127-I131 PolarHBondContact O-N 2.73Å; L127-C140 HydrophobicContact CD1-CB 4.33Å; L127-L182 HydrophobicContact CD2-CD1 3.4Å; L127-F186 HydrophobicContact CD2-CE2 3.53Å; L127-F186 HydrophobicContact CD2-CZ 3.87Å; L127-F186 HydrophobicContact CG-CE2 4.44Å; L127-F186 HydrophobicContact CG-CZ 4.31Å; L127-F204 HydrophobicContact CD2-CZ 4.35Å
128S93.2Very high94.8Very high87 Ų8749.1 Ų49.161%0.60828%0.275SS*.Hα-helixtrans-60-30.6-178.854.20000113.4N126 I131N126-S128 VanDerWaalsContact C-N 3.29Å; N126-S128 PolarHBondContact O-N 3.21Å; S128-I131 WeakPolarHBondContact O-CG1 3.49Å
129V94.2Very high94.8Very high85 Ų8546.5 Ų46.552%0.51526%0.256SS..Hα-helixtrans-83.5-41176.7179.70000110.7N126 L127 I131 T132N126-V129 PolarHBondContact O-N 3Å; N126-V129 VanDerWaalsContact O-N 3.11Å; L127-V129 PolarHBondContact O-N 2.8Å; V129-I131 PolarHBondContact O-N 3.25Å; V129-T132 PolarHBondContact O-N 3.16Å; V129-T132 PolarHBondContact O-OG1 3.06Å
130Y96.2Very high94.8Very high11 Ų1146.5 Ų46.54%0.04326%0.256CS..Hα-helixtrans-72.1-30.5-175.6-67.1-27.3000114.3N82 I85 H122 M123 N126 L127 T132 N133 A136 T137 C140N82-Y130 VanDerWaalsContact CA-OH 3.24Å; N82-Y130 WeakPolarHBondContact CA-OH 3.4Å; N82-Y130 WeakPolarHBondContact CB-OH 3.41Å; I85-Y130 HydrophobicContact CD1-CE2 4.16Å; I85-Y130 HydrophobicContact CG2-CD1 4.26Å; I85-Y130 HydrophobicContact CG2-CD2 4.14Å; I85-Y130 HydrophobicContact CG2-CE1 4.25Å; I85-Y130 HydrophobicContact CG2-CE2 4.09Å; I85-Y130 HydrophobicContact CG2-CG 4.24Å; H122-Y130 AromaticContact CD2-CE2 4Å; H122-Y130 AromaticContact NE2-CE2 3.72Å; H122-Y130 AromaticContact NE2-CZ 3.68Å; H122-Y130 PolarHBondContact NE2-OH 3.42Å; M123-Y130 HydrophobicContact CE-CD2 4.02Å; M123-Y130 HydrophobicContact SD-CD2 3.92Å; M123-Y130 HydrophobicContact SD-CE2 4.08Å; N126-Y130 HydrophobicContact CB-CD2 3.89Å; N126-Y130 HydrophobicContact CB-CE1 4.47Å; N126-Y130 HydrophobicContact CB-CE2 3.38Å; N126-Y130 PolarHBondContact O-N 3.36Å; N126-Y130 VanDerWaalsContact O-N 3.13Å; L127-Y130 PolarHBondContact O-N 3.33Å; Y130-T132 PolarHBondContact O-N 2.89Å; Y130-N133 PolarHBondContact O-N 2.88Å; Y130-N133 VanDerWaalsContact O-N 3.16Å; Y130-A136 HydrophobicContact CD1-CB 3.56Å; Y130-A136 HydrophobicContact CE1-CB 4.48Å; Y130-A136 HydrophobicContact CG-CB 3.77Å; Y130-T137 PolarHBondContact O-N 2.99Å; Y130-C140 WeakPolarHBondContact CB-SG 3.35Å
131I91.4Very high94.7Very high24 Ų2447.5 Ų47.512%0.12326%0.258CS..THydrogen-bonded Turntrans-66.4-19.917860.6-178.8000113.5L127 S128 V129 T137 C140 F186 L201L127-I131 HydrophobicContact CD1-CG2 3.72Å; L127-I131 HydrophobicContact CG-CG2 3.98Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 VanDerWaalsContact O-CG2 3.32Å; L127-I131 WeakPolarHBondContact O-CG2 3.34Å; L127-I131 PolarHBondContact O-N 2.73Å; S128-I131 WeakPolarHBondContact O-CG1 3.49Å; V129-I131 PolarHBondContact O-N 3.25Å; I131-T137 VanDerWaalsContact O-CG2 3.28Å; I131-T137 WeakPolarHBondContact O-CG2 3.32Å; I131-C140 HydrophobicContact CG2-CB 4.46Å; I131-F186 HydrophobicContact CD1-CE1 3.87Å; I131-F186 HydrophobicContact CD1-CZ 4.02Å; I131-L201 HydrophobicContact CB-CD2 3.64Å; I131-L201 HydrophobicContact CD1-CD2 4.01Å; I131-L201 HydrophobicContact CG1-CD2 4.12Å; I131-L201 HydrophobicContact CG2-CD2 4.19Å
132T89.1Confident94.7Very high106 Ų10644.4 Ų44.465%0.6524%0.238SC*.THydrogen-bonded Turntrans-97.3-6.2176.252.80000113.3V129 Y130V129-T132 PolarHBondContact O-N 3.16Å; V129-T132 PolarHBondContact O-OG1 3.06Å; Y130-T132 PolarHBondContact O-N 2.89Å
133N90.7Very high94.7Very high38 Ų3843.2 Ų43.220%0.20323%0.232CC..SBendtrans-95.7129.7-176.2178.4-70.7000111.4D86 Y130 H135 A136 T137D86-N133 PolarHBondContact OD1-ND2 3.27Å; D86-N133 PolarHBondContact OD1-OD1 3.1Å; Y130-N133 PolarHBondContact O-N 2.88Å; Y130-N133 VanDerWaalsContact O-N 3.16Å; N133-H135 VanDerWaalsContact C-N 3.28Å; N133-H135 PolarHBondContact O-N 2.69Å; N133-H135 PolarHBondContact OD1-N 2.84Å; N133-A136 HydrophobicContact CB-CB 3.89Å; N133-A136 PolarHBondContact O-N 3.49Å; N133-A136 PolarHBondContact OD1-N 3.02Å; N133-T137 WeakPolarHBondContact O-CG2 3.35Å; N133-T137 PolarHBondContact O-N 2.65Å
134S89.1Confident94.7Very high70 Ų7043.2 Ų43.249%0.4923%0.232SC..THydrogen-bonded Turntrans-55.7-39.3-173.357.80000113.5T137S134-T137 PolarHBondContact O-OG1 3.37Å; S134-T137 VanDerWaalsContact O-OG1 3.11Å
135H91.9Very high94.8Very high53 Ų5338.3 Ų38.325%0.24521%0.211CC..THydrogen-bonded Turntrans-86.9-45.8179.7-64.2-47.3000112.4S87 N133 T137 H138S87-H135 VanDerWaalsContact O-CB 3.31Å; S87-H135 WeakPolarHBondContact O-CB 3.4Å; N133-H135 VanDerWaalsContact C-N 3.28Å; N133-H135 PolarHBondContact O-N 2.69Å; N133-H135 PolarHBondContact OD1-N 2.84Å; H135-T137 PolarHBondContact O-N 3.05Å; H135-H138 WeakPolarHBondContact O-CB 3.29Å; H135-H138 PolarHBondContact O-CD2 2.83Å; H135-H138 PolarHBondContact O-N 3.19Å; H135-H138 VanDerWaalsContact O-N 3.12Å
136A96Very high94.9Very high0 Ų031.7 Ų31.70%018%0.18CC..Hα-helixtrans-65.7-23.2-176.700000113.3I85 Y130 N133 H138 T139 C140I85-A136 HydrophobicContact CG2-CB 3.66Å; Y130-A136 HydrophobicContact CD1-CB 3.56Å; Y130-A136 HydrophobicContact CE1-CB 4.48Å; Y130-A136 HydrophobicContact CG-CB 3.77Å; N133-A136 HydrophobicContact CB-CB 3.89Å; N133-A136 PolarHBondContact O-N 3.49Å; N133-A136 PolarHBondContact OD1-N 3.02Å; A136-H138 PolarHBondContact O-N 3.31Å; A136-H138 VanDerWaalsContact O-N 3.15Å; A136-T139 WeakPolarHBondContact O-CB 3.48Å; A136-T139 PolarHBondContact O-N 3.37Å; A136-C140 PolarHBondContact O-N 3.18Å; A136-C140 PolarHBondContact O-SG 3.21Å
137T95Very high94.9Very high4 Ų429.7 Ų29.73%0.02517%0.17CC..Hα-helixtrans-56.9-28173.862.10000113Y130 I131 N133 S134 H135 C140 R141 H200Y130-T137 PolarHBondContact O-N 2.99Å; I131-T137 VanDerWaalsContact O-CG2 3.28Å; I131-T137 WeakPolarHBondContact O-CG2 3.32Å; N133-T137 WeakPolarHBondContact O-CG2 3.35Å; N133-T137 PolarHBondContact O-N 2.65Å; S134-T137 PolarHBondContact O-OG1 3.37Å; S134-T137 VanDerWaalsContact O-OG1 3.11Å; H135-T137 PolarHBondContact O-N 3.05Å; T137-C140 WeakPolarHBondContact O-CB 3.41Å; T137-C140 PolarHBondContact O-N 3.21Å; T137-R141 WeakPolarHBondContact O-CG 3.42Å; T137-R141 PolarHBondContact O-N 3.02Å; T137-R141 PolarHBondContact O-NE 3Å; T137-H200 HydrophobicContact CG2-CB 4.06Å
138H95.3Very high94.9Very high67 Ų6729.1 Ų29.131%0.3117%0.166SC..Hα-helixtrans-68.1-43.4174.4-65.9-73.9000111.1Y91 H135 A136 C140 R141 I142Y91-H138 HydrophobicContact CD2-CB 4.3Å; Y91-H138 HydrophobicContact CE2-CB 3.85Å; H135-H138 WeakPolarHBondContact O-CB 3.29Å; H135-H138 PolarHBondContact O-CD2 2.83Å; H135-H138 PolarHBondContact O-N 3.19Å; H135-H138 VanDerWaalsContact O-N 3.12Å; A136-H138 PolarHBondContact O-N 3.31Å; A136-H138 VanDerWaalsContact O-N 3.15Å; H138-C140 VanDerWaalsContact C-N 3.32Å; H138-C140 PolarHBondContact O-N 2.9Å; H138-R141 WeakPolarHBondContact O-CB 3.4Å; H138-R141 PolarHBondContact O-N 3.13Å; H138-R141 VanDerWaalsContact O-N 3.15Å; H138-I142 PolarHBondContact O-N 3.5Å
139T97.3Very high95.1Very high0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-66.2-34.2174.4-52.60000111.8I85 H95 F119 M123 A136 R141 I142 Y143I85-T139 HydrophobicContact CD1-CG2 4.31Å; I85-T139 HydrophobicContact CG1-CG2 4.04Å; I85-T139 HydrophobicContact CG2-CG2 4.09Å; H95-T139 WeakPolarHBondContact NE2-CA 3.36Å; H95-T139 PolarHBondContact NE2-OG1 3.14Å; F119-T139 HydrophobicContact CE2-CG2 3.87Å; F119-T139 HydrophobicContact CZ-CG2 3.78Å; M123-T139 HydrophobicContact CE-CG2 4.03Å; M123-T139 HydrophobicContact SD-CG2 3.78Å; A136-T139 WeakPolarHBondContact O-CB 3.48Å; A136-T139 PolarHBondContact O-N 3.37Å; T139-R141 PolarHBondContact O-N 2.9Å; T139-I142 WeakPolarHBondContact O-CA 3.38Å; T139-I142 WeakPolarHBondContact O-CB 3.42Å; T139-I142 PolarHBondContact O-N 3.28Å; T139-Y143 PolarHBondContact O-N 3.26Å
140C97.3Very high95.2Very high1 Ų120.9 Ų20.91%0.00711%0.113CC..Hα-helixtrans-57-33.8172.8-63.30000112L127 Y130 I131 A136 T137 H138 P144 F204L127-C140 HydrophobicContact CD1-CB 4.33Å; Y130-C140 WeakPolarHBondContact CB-SG 3.35Å; I131-C140 HydrophobicContact CG2-CB 4.46Å; A136-C140 PolarHBondContact O-N 3.18Å; A136-C140 PolarHBondContact O-SG 3.21Å; T137-C140 WeakPolarHBondContact O-CB 3.41Å; T137-C140 PolarHBondContact O-N 3.21Å; H138-C140 VanDerWaalsContact C-N 3.32Å; H138-C140 PolarHBondContact O-N 2.9Å; C140-P144 WeakPolarHBondContact O-CD 3.42Å; C140-F204 HydrophobicContact CB-CD2 4.07Å; C140-F204 HydrophobicContact CB-CG 4.46Å; C140-F204 WeakPolarHBondContact O-CD2 3.42Å; C140-F204 VanDerWaalsContact O-CE2 3.28Å; C140-F204 WeakPolarHBondContact O-CE2 3.37Å
141R96.3Very high95.1Very high36 Ų3623 Ų2314%0.13612%0.121CC..Hα-helixtrans-73.6-24.4174.2-60.2167.2-147.8-167.70.6112.8T137 H138 T139 Q145 F204 V207T137-R141 WeakPolarHBondContact O-CG 3.42Å; T137-R141 PolarHBondContact O-N 3.02Å; T137-R141 PolarHBondContact O-NE 3Å; H138-R141 WeakPolarHBondContact O-CB 3.4Å; H138-R141 PolarHBondContact O-N 3.13Å; H138-R141 VanDerWaalsContact O-N 3.15Å; T139-R141 PolarHBondContact O-N 2.9Å; R141-Q145 PolarHBondContact O-NE2 2.81Å; R141-F204 HydrophobicContact CG-CB 4.43Å; R141-V207 HydrophobicContact CB-CG2 4.06Å; R141-V207 HydrophobicContact CG-CG2 4.42Å; R141-V207 WeakPolarHBondContact O-CG1 3.49Å
142I96.6Very high95.3Very high11 Ų1122.9 Ų22.96%0.05612%0.12CC..Hα-helixtrans-81.4-37.1176.1-60.2-55.5000110.8L98 F99 H138 T139 Q145 I146L98-I142 HydrophobicContact CD1-CG2 4.04Å; F99-I142 HydrophobicContact CE1-CD1 4.31Å; F99-I142 HydrophobicContact CE2-CD1 3.51Å; F99-I142 HydrophobicContact CZ-CD1 3.31Å; H138-I142 PolarHBondContact O-N 3.5Å; T139-I142 WeakPolarHBondContact O-CA 3.38Å; T139-I142 WeakPolarHBondContact O-CB 3.42Å; T139-I142 PolarHBondContact O-N 3.28Å; I142-Q145 WeakPolarHBondContact O-CA 3.26Å; I142-Q145 VanDerWaalsContact O-CB 3.29Å; I142-Q145 WeakPolarHBondContact O-CB 3.48Å; I142-Q145 PolarHBondContact O-N 3.41Å; I142-I146 HydrophobicContact CG2-CD1 4.16Å; I142-I146 HydrophobicContact CG2-CG1 3.53Å; I142-I146 WeakPolarHBondContact O-CG1 3.33Å; I142-I146 PolarHBondContact O-N 3.28Å
143Y97.8Very high95.4Very high7 Ų723.3 Ų23.33%0.02712%0.115CC..Hα-helixtrans-49-56.1-176.2172.2-130.6000115.3C120 M123 T139 Q145 I146 L147 L182C120-Y143 HydrophobicContact CB-CE2 4.04Å; C120-Y143 WeakPolarHBondContact O-CE2 3.09Å; M123-Y143 HydrophobicContact CB-CD1 4.15Å; M123-Y143 HydrophobicContact CB-CD2 3.5Å; M123-Y143 VanDerWaalsContact CB-CD2 3.5Å; M123-Y143 HydrophobicContact CB-CE1 4.31Å; M123-Y143 HydrophobicContact CB-CE2 3.69Å; M123-Y143 HydrophobicContact CB-CG 3.74Å; M123-Y143 HydrophobicContact CE-CG 4.32Å; M123-Y143 HydrophobicContact CG-CD2 3.94Å; M123-Y143 HydrophobicContact CG-CG 4.13Å; T139-Y143 PolarHBondContact O-N 3.26Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 2.89Å; Y143-I146 PolarHBondContact O-N 2.99Å; Y143-L147 HydrophobicContact CD2-CB 4.44Å; Y143-L147 HydrophobicContact CE2-CB 4.2Å; Y143-L147 HydrophobicContact CE2-CD2 4.37Å; Y143-L147 VanDerWaalsContact O-CB 3.25Å; Y143-L147 WeakPolarHBondContact O-CB 3.49Å; Y143-L147 PolarHBondContact O-N 3.49Å; Y143-L182 HydrophobicContact CD1-CD2 4.32Å; Y143-L182 HydrophobicContact CE1-CD1 4.31Å; Y143-L182 HydrophobicContact CE1-CD2 4.07Å
144P97.6Very high95.5Very high0 Ų025.1 Ų25.10%012%0.121CC..Hα-helixtrans-65.9-27.6179.827-35.6000113C140 A148 L182 F204 V207 L208 V211C140-P144 WeakPolarHBondContact O-CD 3.42Å; P144-A148 WeakPolarHBondContact O-CB 3.36Å; P144-A148 PolarHBondContact O-N 3.3Å; P144-L182 HydrophobicContact CB-CD2 4.05Å; P144-F204 HydrophobicContact CG-CE2 4.11Å; P144-V207 HydrophobicContact CG-CG1 3.56Å; P144-L208 HydrophobicContact CB-CD1 4.27Å; P144-V211 HydrophobicContact CB-CG1 4.46Å; P144-V211 HydrophobicContact CB-CG2 4.31Å
145Q97.5Very high95.5Very high4 Ų424.1 Ų24.12%0.01911%0.11CC..Hα-helixtrans-67.4-44.7174.7-73.7-179.287.600111.3Q102 R141 I142 Y143 G149 V150 L152 V207 V211Q102-Q145 PolarHBondContact NE2-O 3.49Å; R141-Q145 PolarHBondContact O-NE2 2.81Å; I142-Q145 WeakPolarHBondContact O-CA 3.26Å; I142-Q145 VanDerWaalsContact O-CB 3.29Å; I142-Q145 WeakPolarHBondContact O-CB 3.48Å; I142-Q145 PolarHBondContact O-N 3.41Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 2.89Å; Q145-G149 WeakPolarHBondContact O-CA 3.49Å; Q145-G149 PolarHBondContact O-N 2.91Å; Q145-G149 VanDerWaalsContact O-N 3.11Å; Q145-V150 CarbonylContact C-O 3.58Å; Q145-V150 WeakPolarHBondContact CA-O 3.38Å; Q145-V150 WeakPolarHBondContact CB-O 3.39Å; Q145-V150 PolarHBondContact O-N 2.87Å; Q145-L152 HydrophobicContact CG-CD1 4.02Å; Q145-L152 HydrophobicContact CG-CG 3.99Å; Q145-L152 VanDerWaalsContact OE1-N 3.11Å; Q145-V207 HydrophobicContact CG-CG1 3.87Å; Q145-V211 HydrophobicContact CG-CG2 4.21Å
146I97.5Very high95.3Very high0 Ų031.7 Ų31.70%014%0.142CC..Hα-helixtrans-70-49177-59.9-56.4000110.9L98 Q102 I116 F119 I142 Y143 A148 G149L98-I146 HydrophobicContact CB-CD1 3.9Å; L98-I146 HydrophobicContact CB-CG1 4.27Å; L98-I146 HydrophobicContact CD1-CG1 4.47Å; Q102-I146 HydrophobicContact CG-CD1 4.09Å; I116-I146 HydrophobicContact CG2-CG2 3.5Å; F119-I146 HydrophobicContact CD1-CG2 4.45Å; F119-I146 HydrophobicContact CE1-CB 4.49Å; F119-I146 HydrophobicContact CE1-CG2 4.49Å; I142-I146 HydrophobicContact CG2-CD1 4.16Å; I142-I146 HydrophobicContact CG2-CG1 3.53Å; I142-I146 WeakPolarHBondContact O-CG1 3.33Å; I142-I146 PolarHBondContact O-N 3.28Å; Y143-I146 PolarHBondContact O-N 2.99Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 PolarHBondContact O-N 3Å; I146-G149 PolarHBondContact O-N 3.3Å
147L97Very high94.6Very high7 Ų740.2 Ų40.24%0.03718%0.179CC..Hα-helixtrans-51.9-46-179.8175.665.9000111.9Y143 Y175Y143-L147 HydrophobicContact CD2-CB 4.44Å; Y143-L147 HydrophobicContact CE2-CB 4.2Å; Y143-L147 HydrophobicContact CE2-CD2 4.37Å; Y143-L147 VanDerWaalsContact O-CB 3.25Å; Y143-L147 WeakPolarHBondContact O-CB 3.49Å; Y143-L147 PolarHBondContact O-N 3.49Å; L147-Y175 VanDerWaalsContact O-CB 3.29Å; L147-Y175 WeakPolarHBondContact O-CB 3.34Å
148A97Very high94.1Very high0 Ų043.2 Ų43.20%020%0.198CC..THydrogen-bonded Turntrans-105.18.7-171.800000114.1P144 I146 V150 Y175 L179 V211 R215P144-A148 WeakPolarHBondContact O-CB 3.36Å; P144-A148 PolarHBondContact O-N 3.3Å; I146-A148 VanDerWaalsContact C-N 3.27Å; I146-A148 PolarHBondContact O-N 3Å; A148-V150 HydrophobicContact CB-CG2 4.41Å; A148-Y175 HydrophobicContact CB-CD2 3.84Å; A148-Y175 HydrophobicContact CB-CE2 4.21Å; A148-L179 HydrophobicContact CB-CD2 3.92Å; A148-V211 HydrophobicContact CB-CG1 3.58Å; A148-R215 HydrophobicContact CB-CG 4.09Å; A148-R215 PolarHBondContact O-NE 3.27Å; A148-R215 PolarHBondContact O-NH2 3.44Å
149G96.1Very high93.7Very high0 Ų045.2 Ų45.20%021%0.211CC..THydrogen-bonded Turntrans56.357.8-179.100000112.5Q145 I146 V168 R215Q145-G149 WeakPolarHBondContact O-CA 3.49Å; Q145-G149 PolarHBondContact O-N 2.91Å; Q145-G149 VanDerWaalsContact O-N 3.11Å; I146-G149 PolarHBondContact O-N 3.3Å; G149-V168 CarbonylContact C-O 3.58Å; G149-V168 WeakPolarHBondContact CA-O 3.48Å; G149-V168 PolarHBondContact O-N 3.42Å; G149-R215 PolarHBondContact O-NH2 3.2Å
150V95.9Very high93.4Very high0 Ų046.3 Ų46.30%022%0.218CC..EExtended strand (participates in β ladder)trans-128.8133.1177.9179.70000109Q145 A148 L152 V165 L167 V211 R215Q145-V150 CarbonylContact C-O 3.58Å; Q145-V150 WeakPolarHBondContact CA-O 3.38Å; Q145-V150 WeakPolarHBondContact CB-O 3.39Å; Q145-V150 PolarHBondContact O-N 2.87Å; A148-V150 HydrophobicContact CB-CG2 4.41Å; V150-L152 HydrophobicContact CG1-CD2 3.68Å; V150-L152 HydrophobicContact CG1-CG 4.31Å; V150-V165 HydrophobicContact CG1-CB 4.02Å; V150-V165 HydrophobicContact CG1-CG1 4.3Å; V150-L167 HydrophobicContact CG2-CD2 4.09Å; V150-V211 HydrophobicContact CB-CG2 4.15Å; V150-V211 HydrophobicContact CG1-CG2 4.25Å; V150-V211 HydrophobicContact CG2-CG1 4.18Å; V150-V211 HydrophobicContact CG2-CG2 4.5Å; V150-R215 HydrophobicContact CG2-CG 3.67Å
151R95.4Very high93.3Very high54 Ų5447.3 Ų47.320%0.20422%0.221CC..EExtended strand (participates in β ladder)trans-107.3123.2169.8-75.8177.9172.6179.1-1.8109.3F99 Q102 T103 Q166 V168F99-R151 PolarHBondContact O-NH2 3.4Å; Q102-R151 VanDerWaalsContact CB-NH2 3.28Å; Q102-R151 PolarHBondContact O-NH2 3.5Å; Q102-R151 VanDerWaalsContact OE1-NE 3.16Å; T103-R151 VanDerWaalsContact CG2-NH2 3.33Å; R151-Q166 HydrophobicContact CB-CB 4.13Å; R151-Q166 PolarHBondContact N-O 2.9Å; R151-Q166 PolarHBondContact O-N 3.26Å; R151-V168 HydrophobicContact CG-CG2 4.25Å
152L95.1Very high93.1Very high22 Ų2249.3 Ų49.312%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-101.7136176.2-56.6-178.5000110.3Q145 V150 Y161 V165 V207 L210Q145-L152 HydrophobicContact CG-CD1 4.02Å; Q145-L152 HydrophobicContact CG-CG 3.99Å; Q145-L152 VanDerWaalsContact OE1-N 3.11Å; V150-L152 HydrophobicContact CG1-CD2 3.68Å; V150-L152 HydrophobicContact CG1-CG 4.31Å; L152-Y161 HydrophobicContact CB-CD1 4.15Å; L152-Y161 HydrophobicContact CD1-CD1 4.19Å; L152-Y161 HydrophobicContact CD1-CE1 4.37Å; L152-V165 HydrophobicContact CD2-CB 4.23Å; L152-V165 HydrophobicContact CD2-CG1 3.47Å; L152-V165 VanDerWaalsContact CD2-CG1 3.47Å; L152-V207 HydrophobicContact CD1-CB 4.08Å; L152-V207 HydrophobicContact CD1-CG1 3.66Å; L152-V207 HydrophobicContact CD1-CG2 3.95Å; L152-L210 HydrophobicContact CD1-CB 4.12Å; L152-L210 HydrophobicContact CD1-CD1 3.99Å; L152-L210 HydrophobicContact CD2-CB 3.88Å; L152-L210 HydrophobicContact CD2-CD1 4.19Å
153E92.3Very high92.7Very high116 Ų11651.2 Ų51.254%0.54225%0.245SC..EExtended strand (participates in β ladder)trans-91.8150.4169.9-69.1-169.2-179.900111.4K162E153-K162 HydrophobicContact CB-CD 4.31Å; E153-K162 PolarHBondContact O-N 3.16Å; E153-K162 IonicContact OE2-NZ 2.83Å; E153-K162 PolarHBondContact OE2-NZ 2.99Å
154K92.3Very high92.4Very high75 Ų7553.9 Ų53.933%0.32627%0.269SS..EExtended strand (participates in β ladder)trans-109.2147.3165.7-68.3-173.1171.6-167.10110.8K156 N159 T160 Y161K154-K156 PolarHBondContact O-N 3.36Å; K154-N159 VanDerWaalsContact CD-OD1 3.26Å; K154-N159 WeakPolarHBondContact CD-OD1 3.47Å; K154-T160 CarbonylContact C-O 3.49Å; K154-T160 WeakPolarHBondContact CA-O 3.35Å; K154-Y161 HydrophobicContact CD-CE1 4.31Å; K154-Y161 HydrophobicContact CG-CD1 3.87Å; K154-Y161 HydrophobicContact CG-CE1 4.02Å; K154-Y161 HydrophobicContact CG-CG 4.48Å
155D88.1Confident92.2Very high50 Ų5056.3 Ų56.327%0.26728%0.284SS..  trans-65.7128.8167.8-179.9-99.3000110.2K157 T158 N159 T160D155-K157 PolarHBondContact O-N 2.99Å; D155-K157 WeakPolarHBondContact OD1-CB 3.5Å; D155-K157 PolarHBondContact OD1-N 3.48Å; D155-T158 WeakPolarHBondContact CB-OG1 3.45Å; D155-T158 PolarHBondContact OD1-N 3.24Å; D155-T158 PolarHBondContact OD1-OG1 3.14Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.02Å; D155-T160 PolarHBondContact N-O 3.11Å
156K88.6Confident92.1Very high211 Ų21161.4 Ų61.492%0.91731%0.307SS*.THydrogen-bonded Turntrans-67-25.7-173.7-65.9-176.2-180-179.30113K154K154-K156 PolarHBondContact O-N 3.36Å
157K81.9Confident92Very high179 Ų17966 Ų6678%0.77833%0.331SS*.THydrogen-bonded Turntrans-91.1-44.8-176.3-64.8-176.8178.6-1790111.7D155D155-K157 PolarHBondContact O-N 2.99Å; D155-K157 WeakPolarHBondContact OD1-CB 3.5Å; D155-K157 PolarHBondContact OD1-N 3.48Å
158T83.8Confident91.9Very high68 Ų6866.5 Ų66.542%0.41734%0.335SS..THydrogen-bonded Turntrans-98-12.1-174.261.30000113.7D155 T160D155-T158 WeakPolarHBondContact CB-OG1 3.45Å; D155-T158 PolarHBondContact OD1-N 3.24Å; D155-T158 PolarHBondContact OD1-OG1 3.14Å; T158-T160 PolarHBondContact O-N 3.3Å; T158-T160 VanDerWaalsContact O-N 3.11Å; T158-T160 PolarHBondContact OG1-OG1 3.42Å
159N87.2Confident91.7Very high108 Ų10871.1 Ų71.158%0.57836%0.363SS*.  trans57.918.8-177.1-164.528000113.9K154 D155K154-N159 VanDerWaalsContact CD-OD1 3.26Å; K154-N159 WeakPolarHBondContact CD-OD1 3.47Å; D155-N159 WeakPolarHBondContact O-CA 3.36Å; D155-N159 PolarHBondContact O-N 3.02Å
160T91Very high91.7Very high23 Ų2372.4 Ų72.414%0.14137%0.371CS..PPolyproline II helixtrans-87152.4175.261.60000110.8K154 D155 T158 Y258K154-T160 CarbonylContact C-O 3.49Å; K154-T160 WeakPolarHBondContact CA-O 3.35Å; D155-T160 PolarHBondContact N-O 3.11Å; T158-T160 PolarHBondContact O-N 3.3Å; T158-T160 VanDerWaalsContact O-N 3.11Å; T158-T160 PolarHBondContact OG1-OG1 3.42Å; T160-Y258 HydrophobicContact CG2-CD1 3.63Å; T160-Y258 HydrophobicContact CG2-CE1 3.51Å
161Y93.7Very high91.6Very high23 Ų2373 Ų739%0.0937%0.373CS..EExtended strand (participates in β ladder)trans-66.9144.4173.2-64.1-78.1000110.5L152 K154 Q206 V207 L210 L262L152-Y161 HydrophobicContact CB-CD1 4.15Å; L152-Y161 HydrophobicContact CD1-CD1 4.19Å; L152-Y161 HydrophobicContact CD1-CE1 4.37Å; K154-Y161 HydrophobicContact CD-CE1 4.31Å; K154-Y161 HydrophobicContact CG-CD1 3.87Å; K154-Y161 HydrophobicContact CG-CE1 4.02Å; K154-Y161 HydrophobicContact CG-CG 4.48Å; Y161-Q206 HydrophobicContact CD2-CB 4.35Å; Y161-V207 HydrophobicContact CD1-CG2 4.37Å; Y161-V207 HydrophobicContact CD2-CG2 4.45Å; Y161-V207 HydrophobicContact CE1-CG2 3.68Å; Y161-V207 HydrophobicContact CE2-CG2 3.79Å; Y161-V207 WeakPolarHBondContact OH-CG2 3.44Å; Y161-L210 HydrophobicContact CG-CD1 4.28Å; Y161-L262 WeakPolarHBondContact O-CD2 3.25Å
162K92.2Very high91.3Very high78 Ų7872.7 Ų72.734%0.33938%0.376SS..EExtended strand (participates in β ladder)trans-93153.3168.5-61.3-179.4-173.9169.90109.4E153 A164E153-K162 HydrophobicContact CB-CD 4.31Å; E153-K162 PolarHBondContact O-N 3.16Å; E153-K162 IonicContact OE2-NZ 2.83Å; E153-K162 PolarHBondContact OE2-NZ 2.99Å; K162-A164 VanDerWaalsContact C-N 3.29Å; K162-A164 PolarHBondContact O-N 3.3Å
163S90Very high91Very high50 Ų5080.1 Ų80.135%0.3541%0.41SS..EExtended strand (participates in β ladder)trans-69.8-21.317342.90000114.5E265S163-E265 WeakPolarHBondContact CB-OE2 3.31Å; S163-E265 PolarHBondContact N-OE2 3.48Å; S163-E265 PolarHBondContact OG-OE2 3.12Å
164A91.1Very high91.1Very high63 Ų6380.1 Ų80.152%0.52141%0.414SS..EExtended strand (participates in β ladder)trans-69134.5174.200000111.5K162K162-A164 VanDerWaalsContact C-N 3.29Å; K162-A164 PolarHBondContact O-N 3.3Å
165V93.7Very high91.3Very high52 Ų5278 Ų7832%0.31540%0.404SS..EExtended strand (participates in β ladder)trans-128.6145.7-177.5-55.50000110.7V150 L152 L167 A214V150-V165 HydrophobicContact CG1-CB 4.02Å; V150-V165 HydrophobicContact CG1-CG1 4.3Å; L152-V165 HydrophobicContact CD2-CB 4.23Å; L152-V165 HydrophobicContact CD2-CG1 3.47Å; L152-V165 VanDerWaalsContact CD2-CG1 3.47Å; V165-L167 HydrophobicContact CG2-CD2 4.33Å; V165-A214 HydrophobicContact CG2-CB 3.78Å
166Q95.5Very high91.7Very high111 Ų11178.8 Ų78.852%0.51941%0.407SS..EExtended strand (participates in β ladder)trans-104.5127.5168.2177.5-176.222.600109R151R151-Q166 HydrophobicContact CB-CB 4.13Å; R151-Q166 PolarHBondContact N-O 2.9Å; R151-Q166 PolarHBondContact O-N 3.26Å
167L95.4Very high92.1Very high95 Ų9573 Ų7350%0.49738%0.384SS..EExtended strand (participates in β ladder)trans-88.4141.7177-58.7-177000110.7V150 V165 A214V150-L167 HydrophobicContact CG2-CD2 4.09Å; V165-L167 HydrophobicContact CG2-CD2 4.33Å; L167-A214 HydrophobicContact CD2-CB 4.2Å
168V93.7Very high92.8Very high19 Ų1965.5 Ų65.512%0.11535%0.354CS..  trans-133.5148.9177.1178.30000108.4Q102 G149 R151 P170 R215Q102-V168 HydrophobicContact CB-CG1 4.06Å; Q102-V168 HydrophobicContact CB-CG2 4.4Å; Q102-V168 HydrophobicContact CG-CG1 4.48Å; Q102-V168 WeakPolarHBondContact O-CG1 3.44Å; G149-V168 CarbonylContact C-O 3.58Å; G149-V168 WeakPolarHBondContact CA-O 3.48Å; G149-V168 PolarHBondContact O-N 3.42Å; R151-V168 HydrophobicContact CG-CG2 4.25Å; V168-P170 VanDerWaalsContact O-CD 3.3Å; V168-P170 WeakPolarHBondContact O-CD 3.39Å; V168-R215 PolarHBondContact O-NH2 3.49Å
169T93.9Very high93.4Very high97 Ų9762.3 Ų62.360%0.59533%0.334SS*.  trans-55.9122.2175.6-53.30000111.4N107N107-T169 PolarHBondContact ND2-O 3.32Å; N107-T169 WeakPolarHBondContact OD1-CB 3.48Å
170P94.7Very high93.9Very high26 Ų2660.4 Ų60.417%0.16932%0.321CS..  trans-65.8150.3174.8-20.434.2000111.9V168 Y175V168-P170 VanDerWaalsContact O-CD 3.3Å; V168-P170 WeakPolarHBondContact O-CD 3.39Å; P170-Y175 HydrophobicContact CB-CD1 3.7Å; P170-Y175 HydrophobicContact CB-CD2 4.4Å; P170-Y175 HydrophobicContact CB-CE1 4.04Å; P170-Y175 HydrophobicContact CB-CG 3.88Å; P170-Y175 HydrophobicContact CG-CD1 3.83Å; P170-Y175 HydrophobicContact CG-CD2 4.29Å; P170-Y175 HydrophobicContact CG-CE1 3.62Å; P170-Y175 HydrophobicContact CG-CE2 4.11Å; P170-Y175 HydrophobicContact CG-CG 4.14Å
171Y93.2Very high94.2Very high12 Ų1262.9 Ų62.95%0.04733%0.331CS..SBendtrans-82.1-18.5-179-62.1-86.8000114.3C101 Q102 N107 I112 V113 I116 R117C101-Y171 WeakPolarHBondContact CB-OH 3.33Å; C101-Y171 PolarHBondContact O-OH 3.01Å; Q102-Y171 WeakPolarHBondContact CA-OH 3.38Å; Q102-Y171 HydrophobicContact CG-CE2 4.37Å; Q102-Y171 PolarHBondContact N-OH 3.09Å; N107-Y171 HydrophobicContact CB-CE1 4.43Å; N107-Y171 WeakPolarHBondContact ND2-CE1 3.4Å; N107-Y171 VanDerWaalsContact ND2-CZ 3.29Å; N107-Y171 PolarHBondContact ND2-OH 2.91Å; I112-Y171 HydrophobicContact CG2-CE1 4.23Å; V113-Y171 HydrophobicContact CG2-CD1 3.99Å; I116-Y171 HydrophobicContact CB-CD1 4.36Å; I116-Y171 HydrophobicContact CB-CD2 4.4Å; I116-Y171 HydrophobicContact CB-CG 4.21Å; I116-Y171 HydrophobicContact CD1-CD1 3.9Å; I116-Y171 HydrophobicContact CD1-CD2 4.12Å; I116-Y171 HydrophobicContact CD1-CE1 3.4Å; I116-Y171 HydrophobicContact CD1-CE2 3.63Å; I116-Y171 HydrophobicContact CD1-CG 4.24Å; I116-Y171 HydrophobicContact CG2-CD1 4.32Å; I116-Y171 HydrophobicContact CG2-CD2 3.54Å; I116-Y171 HydrophobicContact CG2-CE2 4.02Å; I116-Y171 HydrophobicContact CG2-CG 3.71Å; R117-Y171 PolarHBondContact NE-O 3.14Å; R117-Y171 PolarHBondContact NH2-O 3.34Å
172D89.9Confident94.3Very high49 Ų4962.5 Ų62.526%0.26233%0.33SS..  trans-120.5125.8179.317611.8000108.3N174 Y175D172-N174 PolarHBondContact O-N 3.17Å; D172-N174 WeakPolarHBondContact OD1-CB 3.18Å; D172-N174 PolarHBondContact OD1-N 3.38Å; D172-Y175 WeakPolarHBondContact O-CB 3.47Å; D172-Y175 WeakPolarHBondContact O-CD1 3.38Å; D172-Y175 PolarHBondContact O-N 2.91Å
173E89.8Confident94.6Very high178 Ų17858.8 Ų58.883%0.83231%0.314SS*.THydrogen-bonded Turntrans-64.1-28.9176.7-62.6-175167.600111.6Y175E173-Y175 VanDerWaalsContact C-N 3.3Å; E173-Y175 PolarHBondContact O-N 3.07Å
174N93.8Very high94.9Very high115 Ų11562.1 Ų62.162%0.61532%0.323SS*.THydrogen-bonded Turntrans-87.59.8179.1-68.9-50.4000113.9D172 I176 Q177 S178D172-N174 PolarHBondContact O-N 3.17Å; D172-N174 WeakPolarHBondContact OD1-CB 3.18Å; D172-N174 PolarHBondContact OD1-N 3.38Å; N174-I176 PolarHBondContact O-N 3.2Å; N174-Q177 PolarHBondContact O-N 3.32Å; N174-S178 PolarHBondContact O-N 2.95Å
175Y95.8Very high95.1Very high31 Ų3161.2 Ų61.212%0.12232%0.319CS..Hα-helixtrans-53-31.4-177.978.5-80.1000113.6L147 A148 P170 D172 E173 Q177 S178 L179 R215L147-Y175 VanDerWaalsContact O-CB 3.29Å; L147-Y175 WeakPolarHBondContact O-CB 3.34Å; A148-Y175 HydrophobicContact CB-CD2 3.84Å; A148-Y175 HydrophobicContact CB-CE2 4.21Å; P170-Y175 HydrophobicContact CB-CD1 3.7Å; P170-Y175 HydrophobicContact CB-CD2 4.4Å; P170-Y175 HydrophobicContact CB-CE1 4.04Å; P170-Y175 HydrophobicContact CB-CG 3.88Å; P170-Y175 HydrophobicContact CG-CD1 3.83Å; P170-Y175 HydrophobicContact CG-CD2 4.29Å; P170-Y175 HydrophobicContact CG-CE1 3.62Å; P170-Y175 HydrophobicContact CG-CE2 4.11Å; P170-Y175 HydrophobicContact CG-CG 4.14Å; D172-Y175 WeakPolarHBondContact O-CB 3.47Å; D172-Y175 WeakPolarHBondContact O-CD1 3.38Å; D172-Y175 PolarHBondContact O-N 2.91Å; E173-Y175 VanDerWaalsContact C-N 3.3Å; E173-Y175 PolarHBondContact O-N 3.07Å; Y175-Q177 VanDerWaalsContact C-N 3.28Å; Y175-Q177 PolarHBondContact O-N 3.35Å; Y175-S178 PolarHBondContact O-N 3.23Å; Y175-L179 VanDerWaalsContact O-CB 3.25Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 2.74Å; Y175-R215 HydrophobicContact CE2-CB 4.2Å; Y175-R215 HydrophobicContact CE2-CG 4.24Å
176I97Very high95.3Very high66 Ų6660.2 Ų60.234%0.33831%0.31SS..Hα-helixtrans-58.5-41.8178.9-67.1178.9000110.7N174 K180 L216N174-I176 PolarHBondContact O-N 3.2Å; I176-K180 HydrophobicContact CG2-CD 4.17Å; I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 VanDerWaalsContact O-CG 3.24Å; I176-K180 WeakPolarHBondContact O-CG 3.45Å; I176-K180 PolarHBondContact O-N 2.79Å; I176-L216 HydrophobicContact CG2-CD2 3.8Å
177Q96.6Very high95.3Very high89 Ų8954.9 Ų54.942%0.41629%0.286SS..Hα-helixtrans-70.4-47.2-179.4-179.756.928.200110.8N174 Y175 L179 K180 E181N174-Q177 PolarHBondContact O-N 3.32Å; Y175-Q177 VanDerWaalsContact C-N 3.28Å; Y175-Q177 PolarHBondContact O-N 3.35Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.37Å; Q177-K180 WeakPolarHBondContact O-CB 3.37Å; Q177-K180 PolarHBondContact O-N 2.91Å; Q177-K180 VanDerWaalsContact O-N 3.14Å; Q177-E181 PolarHBondContact NE2-OE1 2.88Å; Q177-E181 PolarHBondContact O-N 3.4Å
178S96.1Very high95.4Very high23 Ų2351.4 Ų51.416%0.16127%0.266CS..Hα-helixtrans-57.9-42.2174.9-64.80000112.1N174 Y175 E181 L182N174-S178 PolarHBondContact O-N 2.95Å; Y175-S178 PolarHBondContact O-N 3.23Å; S178-E181 PolarHBondContact O-N 3.37Å; S178-L182 PolarHBondContact O-N 3Å
179L97.7Very high95.5Very high0 Ų052.2 Ų52.20%027%0.271CS..Hα-helixtrans-68.1-38.2176.6-176.561.3000112.1A148 Y175 Q177 L182 C183 L208 V211 R215 L216A148-L179 HydrophobicContact CB-CD2 3.92Å; Y175-L179 VanDerWaalsContact O-CB 3.25Å; Y175-L179 WeakPolarHBondContact O-CB 3.38Å; Y175-L179 PolarHBondContact O-N 2.74Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.37Å; L179-L182 PolarHBondContact O-N 3.04Å; L179-C183 WeakPolarHBondContact O-CB 3.33Å; L179-C183 PolarHBondContact O-N 3Å; L179-C183 PolarHBondContact O-SG 3.47Å; L179-L208 HydrophobicContact CD1-CD1 3.78Å; L179-V211 HydrophobicContact CD1-CG1 3.87Å; L179-V211 HydrophobicContact CD2-CG1 3.95Å; L179-R215 HydrophobicContact CD2-CB 3.84Å; L179-L216 HydrophobicContact CB-CD1 4.31Å; L179-L216 HydrophobicContact CD2-CD1 3.86Å; L179-L216 HydrophobicContact CD2-CD2 4.32Å; L179-L216 HydrophobicContact CD2-CG 3.7Å; L179-L216 HydrophobicContact CG-CD1 3.71Å; L179-L216 HydrophobicContact CG-CG 4.14Å
180K97.3Very high95.7Very high69 Ų6955.4 Ų55.430%0.328%0.277SS..Hα-helixtrans-62-41.7173.7-80.1170.2-179.71710111.6I176 Q177 C183 K184 L216I176-K180 HydrophobicContact CG2-CD 4.17Å; I176-K180 WeakPolarHBondContact O-CB 3.41Å; I176-K180 VanDerWaalsContact O-CG 3.24Å; I176-K180 WeakPolarHBondContact O-CG 3.45Å; I176-K180 PolarHBondContact O-N 2.79Å; Q177-K180 WeakPolarHBondContact O-CB 3.37Å; Q177-K180 PolarHBondContact O-N 2.91Å; Q177-K180 VanDerWaalsContact O-N 3.14Å; K180-C183 PolarHBondContact O-N 3.36Å; K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.31Å; K180-K184 PolarHBondContact O-N 3.17Å; K180-L216 HydrophobicContact CG-CD1 3.92Å; K180-L216 HydrophobicContact CG-CD2 4.14Å
181E96.4Very high95.7Very high75 Ų7556 Ų5635%0.3528%0.284SS..Hα-helixtrans-61.6-48.6175.2-75.1169.2-166.300111.2K124 Q177 S178 C183 K184 G185K124-E181 IonicContact NZ-OE2 3.89Å; K124-E181 PolarHBondContact NZ-OE2 3.08Å; Q177-E181 PolarHBondContact NE2-OE1 2.88Å; Q177-E181 PolarHBondContact O-N 3.4Å; S178-E181 PolarHBondContact O-N 3.37Å; E181-C183 VanDerWaalsContact C-N 3.33Å; E181-C183 PolarHBondContact O-N 3.13Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 3.37Å; E181-K184 VanDerWaalsContact O-N 3.12Å; E181-G185 PolarHBondContact O-N 3.16Å
182L96.8Very high95.9Very high14 Ų1455.4 Ų55.47%0.07328%0.281CS..Hα-helixtrans-58.1-46176.5-165.363000111.6L127 Y143 P144 S178 L179 K184 G185 F186 F204 L208L127-L182 HydrophobicContact CD2-CD1 3.4Å; Y143-L182 HydrophobicContact CD1-CD2 4.32Å; Y143-L182 HydrophobicContact CE1-CD1 4.31Å; Y143-L182 HydrophobicContact CE1-CD2 4.07Å; P144-L182 HydrophobicContact CB-CD2 4.05Å; S178-L182 PolarHBondContact O-N 3Å; L179-L182 PolarHBondContact O-N 3.04Å; L182-K184 PolarHBondContact O-N 2.96Å; L182-G185 PolarHBondContact O-N 2.99Å; L182-F186 HydrophobicContact CD1-CD2 3.96Å; L182-F186 HydrophobicContact CD1-CE2 3.98Å; L182-F186 WeakPolarHBondContact O-CD2 3.14Å; L182-F186 PolarHBondContact O-N 3.23Å; L182-F186 VanDerWaalsContact O-N 3.12Å; L182-F204 HydrophobicContact CD1-CZ 4.01Å; L182-F204 HydrophobicContact CD2-CZ 4.26Å; L182-F204 HydrophobicContact CG-CZ 4.25Å; L182-L208 HydrophobicContact CB-CD1 4.38Å; L182-L208 HydrophobicContact CD2-CD1 3.65Å; L182-L208 HydrophobicContact CG-CD1 3.89Å; L182-L208 HydrophobicContact CG-CD2 4.11Å
183C97.7Very high96.2Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-63.7-38.6176.4-67.10000112.3L179 K180 E181 G185 L187 F188L179-C183 WeakPolarHBondContact O-CB 3.33Å; L179-C183 PolarHBondContact O-N 3Å; L179-C183 PolarHBondContact O-SG 3.47Å; K180-C183 PolarHBondContact O-N 3.36Å; E181-C183 VanDerWaalsContact C-N 3.33Å; E181-C183 PolarHBondContact O-N 3.13Å; C183-G185 VanDerWaalsContact C-N 3.31Å; C183-G185 PolarHBondContact O-N 3.02Å; C183-L187 HydrophobicContact CB-CB 4.45Å; C183-L187 CarbonylContact O-C 3.59Å; C183-L187 WeakPolarHBondContact O-CA 3.45Å; C183-L187 PolarHBondContact O-N 3.5Å; C183-F188 HydrophobicContact CB-CD2 3.59Å; C183-F188 HydrophobicContact CB-CE2 3.39Å; C183-F188 HydrophobicContact CB-CG 4.46Å; C183-F188 HydrophobicContact CB-CZ 4.11Å; C183-F188 PolarHBondContact O-N 2.87Å
184K97Very high96.4Very high121 Ų12155.8 Ų55.853%0.52628%0.284SS..Hα-helixtrans-60.1-41.5175.2-76.5172.3-176.7177.50111.6K180 E181 L182K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.31Å; K180-K184 PolarHBondContact O-N 3.17Å; E181-K184 WeakPolarHBondContact O-CB 3.38Å; E181-K184 PolarHBondContact O-N 3.37Å; E181-K184 VanDerWaalsContact O-N 3.12Å; L182-K184 PolarHBondContact O-N 2.96Å
185G95.9Very high96.6Very high43 Ų4351.6 Ų51.644%0.44326%0.26SS..Hα-helixtrans-69.2-38.5-179.500000114.2E181 L182 C183 T189E181-G185 PolarHBondContact O-N 3.16Å; L182-G185 PolarHBondContact O-N 2.99Å; C183-G185 VanDerWaalsContact C-N 3.31Å; C183-G185 PolarHBondContact O-N 3.02Å; G185-T189 VanDerWaalsContact O-CG2 3.24Å; G185-T189 WeakPolarHBondContact O-CG2 3.28Å
186F96.9Very high96.6Very high31 Ų3150.1 Ų50.114%0.13625%0.254CS..Hα-helixtrans-118.2-30.8-168.1-67.2-84000115.8L127 I131 L182 H195 F204 I205 L208L127-F186 HydrophobicContact CD2-CE2 3.53Å; L127-F186 HydrophobicContact CD2-CZ 3.87Å; L127-F186 HydrophobicContact CG-CE2 4.44Å; L127-F186 HydrophobicContact CG-CZ 4.31Å; I131-F186 HydrophobicContact CD1-CE1 3.87Å; I131-F186 HydrophobicContact CD1-CZ 4.02Å; L182-F186 HydrophobicContact CD1-CD2 3.96Å; L182-F186 HydrophobicContact CD1-CE2 3.98Å; L182-F186 WeakPolarHBondContact O-CD2 3.14Å; L182-F186 PolarHBondContact O-N 3.23Å; L182-F186 VanDerWaalsContact O-N 3.12Å; F186-H195 PolarHBondContact O-ND1 3.26Å; F186-H195 VanDerWaalsContact O-ND1 3.1Å; F186-F204 HydrophobicContact CB-CE1 4.24Å; F186-F204 HydrophobicContact CD1-CD1 4.37Å; F186-F204 AromaticContact CD1-CE1 3.82Å; F186-F204 HydrophobicContact CD1-CE1 3.82Å; F186-F204 AromaticContact CD2-CE1 3.86Å; F186-F204 HydrophobicContact CD2-CE1 3.86Å; F186-F204 HydrophobicContact CD2-CZ 4.33Å; F186-F204 HydrophobicContact CE1-CE1 4.09Å; F186-F204 HydrophobicContact CE2-CE1 4.14Å; F186-F204 AromaticContact CG-CE1 3.7Å; F186-F204 HydrophobicContact CG-CE1 3.7Å; F186-F204 HydrophobicContact CZ-CE1 4.24Å; F186-I205 HydrophobicContact CB-CG2 4.13Å; F186-L208 HydrophobicContact CB-CD2 3.76Å
187L96.5Very high96.5Very high0 Ų050 Ų500%026%0.257CS..THydrogen-bonded Turntrans-109.5-38.2-172-172.964.3000113.3C183 T189 L192 L208 L209 A212 F220 V227 F259C183-L187 HydrophobicContact CB-CB 4.45Å; C183-L187 CarbonylContact O-C 3.59Å; C183-L187 WeakPolarHBondContact O-CA 3.45Å; C183-L187 PolarHBondContact O-N 3.5Å; L187-T189 VanDerWaalsContact C-N 3.34Å; L187-T189 PolarHBondContact O-N 2.98Å; L187-L192 HydrophobicContact CD1-CD1 4.4Å; L187-L192 HydrophobicContact CD1-CD2 4.44Å; L187-L208 HydrophobicContact CB-CD2 4.29Å; L187-L209 HydrophobicContact CD1-CB 4.49Å; L187-L209 HydrophobicContact CD1-CD1 3.94Å; L187-L209 HydrophobicContact CD2-CD1 4.28Å; L187-A212 HydrophobicContact CD2-CB 4.09Å; L187-F220 HydrophobicContact CD2-CE2 4.34Å; L187-V227 HydrophobicContact CD1-CG1 3.92Å; L187-V227 HydrophobicContact CD1-CG2 4.48Å; L187-V227 HydrophobicContact CG-CG1 4.49Å; L187-V227 HydrophobicContact CG-CG2 4.17Å; L187-F259 HydrophobicContact CD1-CE2 4.32Å; L187-F259 HydrophobicContact CD1-CZ 3.92Å
188F96.3Very high96.4Very high21 Ų2148.8 Ų48.89%0.09225%0.253CS..SBendtrans-100.634.3-178.6-53.3-39.7000112.3C183 V219 K223 V227C183-F188 HydrophobicContact CB-CD2 3.59Å; C183-F188 HydrophobicContact CB-CE2 3.39Å; C183-F188 HydrophobicContact CB-CG 4.46Å; C183-F188 HydrophobicContact CB-CZ 4.11Å; C183-F188 PolarHBondContact O-N 2.87Å; F188-V219 HydrophobicContact CE2-CG1 4.17Å; F188-V219 HydrophobicContact CZ-CG1 4.5Å; F188-K223 HydrophobicContact CB-CD 4.15Å; F188-K223 HydrophobicContact CD1-CB 3.87Å; F188-K223 HydrophobicContact CD1-CD 3.86Å; F188-K223 HydrophobicContact CD2-CD 3.54Å; F188-K223 HydrophobicContact CE1-CB 3.68Å; F188-K223 HydrophobicContact CE1-CD 4.1Å; F188-K223 HydrophobicContact CE2-CD 3.78Å; F188-K223 HydrophobicContact CG-CB 4.47Å; F188-K223 HydrophobicContact CG-CD 3.58Å; F188-K223 HydrophobicContact CZ-CB 4.12Å; F188-K223 HydrophobicContact CZ-CD 4.06Å; F188-V227 HydrophobicContact CD1-CG2 3.59Å; F188-V227 HydrophobicContact CE1-CG2 3.62Å
189T96.9Very high96.3Very high36 Ų3653.9 Ų53.922%0.22127%0.274CS..SBendtrans-121.5151.1-177.4177.90000111.2G185 L187 A191 L192 Y230G185-T189 VanDerWaalsContact O-CG2 3.24Å; G185-T189 WeakPolarHBondContact O-CG2 3.28Å; L187-T189 VanDerWaalsContact C-N 3.34Å; L187-T189 PolarHBondContact O-N 2.98Å; T189-A191 HydrophobicContact CG2-CB 4Å; T189-A191 PolarHBondContact O-N 3.42Å; T189-A191 PolarHBondContact OG1-N 3.49Å; T189-L192 VanDerWaalsContact O-CB 3.27Å; T189-L192 WeakPolarHBondContact O-CB 3.36Å; T189-L192 PolarHBondContact O-N 2.87Å; T189-Y230 VanDerWaalsContact C-CD2 3.41Å; T189-Y230 WeakPolarHBondContact O-CB 3.28Å; T189-Y230 VanDerWaalsContact O-CD2 3.24Å; T189-Y230 WeakPolarHBondContact O-CD2 3.36Å
190K96.5Very high96Very high165 Ų16557.3 Ų57.372%0.71729%0.29SS*.THydrogen-bonded Turntrans-63.4-23.2171.9-69-179.2-179.8177.20112.4L192 Y230K190-L192 PolarHBondContact O-N 3.43Å; K190-Y230 HydrophobicContact CG-CD1 4Å; K190-Y230 HydrophobicContact CG-CE1 3.73Å
191A96.4Very high95.9Very high37 Ų3755.1 Ų55.131%0.30628%0.282SS..THydrogen-bonded Turntrans-66.9-11.317600000113.4T189 K193 N194 H195T189-A191 HydrophobicContact CG2-CB 4Å; T189-A191 PolarHBondContact O-N 3.42Å; T189-A191 PolarHBondContact OG1-N 3.49Å; A191-K193 PolarHBondContact O-N 2.88Å; A191-K193 VanDerWaalsContact O-N 3.13Å; A191-N194 PolarHBondContact O-N 3.36Å; A191-H195 PolarHBondContact O-CD2 2.83Å; A191-H195 PolarHBondContact O-N 3.44Å; A191-H195 VanDerWaalsContact O-N 3.14Å
192L97Very high95.8Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-53.6-36.1179.1-17963.3000112.3L187 T189 K190 N194 H195 V196 I205 V227 F259L187-L192 HydrophobicContact CD1-CD1 4.4Å; L187-L192 HydrophobicContact CD1-CD2 4.44Å; T189-L192 VanDerWaalsContact O-CB 3.27Å; T189-L192 WeakPolarHBondContact O-CB 3.36Å; T189-L192 PolarHBondContact O-N 2.87Å; K190-L192 PolarHBondContact O-N 3.43Å; L192-N194 PolarHBondContact O-N 3.31Å; L192-H195 HydrophobicContact CD1-CB 4.4Å; L192-H195 PolarHBondContact O-N 2.91Å; L192-V196 HydrophobicContact CD1-CG1 3.8Å; L192-V196 HydrophobicContact CG-CG1 4.02Å; L192-V196 WeakPolarHBondContact O-CG1 3.46Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.5Å; L192-I205 HydrophobicContact CD1-CD1 3.87Å; L192-V227 HydrophobicContact CD2-CG1 3.81Å; L192-F259 HydrophobicContact CD1-CZ 4.11Å; L192-F259 HydrophobicContact CD2-CZ 4.41Å
193K95.1Very high95.7Very high125 Ų12551.9 Ų51.954%0.54327%0.268SS..Hα-helixtrans-53.7-36.4175.4-172.6175.8178.5-179.70112.9A191 V196 Y230A191-K193 PolarHBondContact O-N 2.88Å; A191-K193 VanDerWaalsContact O-N 3.13Å; K193-V196 VanDerWaalsContact O-CG2 3.31Å; K193-V196 WeakPolarHBondContact O-CG2 3.33Å; K193-Y230 WeakPolarHBondContact CA-O 3.47Å; K193-Y230 WeakPolarHBondContact CB-O 3.39Å; K193-Y230 PolarHBondContact N-O 3.46Å
194N95.6Very high95.7Very high111 Ų11152 Ų5259%0.59427%0.268SS*.Hα-helixtrans-84.2-33.7177.5-62.8-13.8000111.1A191 L192 V196 V197 N198A191-N194 PolarHBondContact O-N 3.36Å; L192-N194 PolarHBondContact O-N 3.31Å; N194-V196 PolarHBondContact O-N 2.91Å; N194-V197 VanDerWaalsContact O-CG2 3.3Å; N194-V197 WeakPolarHBondContact O-CG2 3.17Å; N194-N198 WeakPolarHBondContact O-CB 3.07Å; N194-N198 PolarHBondContact O-N 2.96Å
195H96.2Very high95.7Very high26 Ų2646.2 Ų46.212%0.1224%0.243CC..Hα-helixtrans-65.6-37.9179-55.4165.7000112.5F186 A191 L192 V197 N198 C202 I205F186-H195 PolarHBondContact O-ND1 3.26Å; F186-H195 VanDerWaalsContact O-ND1 3.1Å; A191-H195 PolarHBondContact O-CD2 2.83Å; A191-H195 PolarHBondContact O-N 3.44Å; A191-H195 VanDerWaalsContact O-N 3.14Å; L192-H195 HydrophobicContact CD1-CB 4.4Å; L192-H195 PolarHBondContact O-N 2.91Å; H195-V197 VanDerWaalsContact C-N 3.31Å; H195-V197 PolarHBondContact O-N 3.18Å; H195-N198 PolarHBondContact O-N 3.39Å; H195-C202 PolarHBondContact O-N 3.27Å; H195-I205 HydrophobicContact CB-CD1 3.8Å; H195-I205 HydrophobicContact CB-CG2 4.32Å
196V96.2Very high95.8Very high1 Ų144.9 Ų44.91%0.00623%0.225CC..THydrogen-bonded Turntrans-69.1-25.6-177.4-640000113.9L192 K193 N194 C202 I205 L233 A256 F259L192-V196 HydrophobicContact CD1-CG1 3.8Å; L192-V196 HydrophobicContact CG-CG1 4.02Å; L192-V196 WeakPolarHBondContact O-CG1 3.46Å; L192-V196 WeakPolarHBondContact O-CG2 3.35Å; L192-V196 PolarHBondContact O-N 3.5Å; K193-V196 VanDerWaalsContact O-CG2 3.31Å; K193-V196 WeakPolarHBondContact O-CG2 3.33Å; N194-V196 PolarHBondContact O-N 2.91Å; V196-C202 PolarHBondContact O-SG 3.28Å; V196-C202 VanDerWaalsContact O-SG 3.36Å; V196-I205 HydrophobicContact CB-CD1 4.35Å; V196-I205 HydrophobicContact CG1-CD1 3.68Å; V196-L233 HydrophobicContact CB-CD1 4.48Å; V196-L233 HydrophobicContact CB-CD2 4.37Å; V196-L233 HydrophobicContact CG1-CD1 4.35Å; V196-L233 HydrophobicContact CG2-CD2 3.8Å; V196-L233 HydrophobicContact CG2-CG 4.34Å; V196-A256 HydrophobicContact CB-CB 4.41Å; V196-A256 HydrophobicContact CG2-CB 4.47Å; V196-A256 VanDerWaalsContact O-CA 3.24Å; V196-A256 WeakPolarHBondContact O-CA 3.41Å; V196-A256 WeakPolarHBondContact O-CB 3.32Å; V196-A256 PolarHBondContact O-N 2.86Å; V196-F259 HydrophobicContact CB-CD1 4.49Å; V196-F259 HydrophobicContact CB-CG 4.5Å; V196-F259 HydrophobicContact CG1-CB 4.35Å; V196-F259 HydrophobicContact CG1-CD1 3.57Å; V196-F259 HydrophobicContact CG1-CD2 4.21Å; V196-F259 HydrophobicContact CG1-CE1 3.78Å; V196-F259 HydrophobicContact CG1-CE2 4.41Å; V196-F259 HydrophobicContact CG1-CG 3.78Å; V196-F259 HydrophobicContact CG1-CZ 4.21Å
197V95.3Very high95.8Very high63 Ų6343.4 Ų43.438%0.38222%0.219SC..THydrogen-bonded Turntrans-94.7-10.3176.9-62.50000113.2N194 H195 A256N194-V197 VanDerWaalsContact O-CG2 3.3Å; N194-V197 WeakPolarHBondContact O-CG2 3.17Å; H195-V197 VanDerWaalsContact C-N 3.31Å; H195-V197 PolarHBondContact O-N 3.18Å; V197-A256 HydrophobicContact CG1-CB 4.12Å
198N94.8Very high95.9Very high63 Ų6343.4 Ų43.434%0.33722%0.219SC..  trans-83.7122.8-179.5179.4-68000110.8N194 H195 H200 L201 C202N194-N198 WeakPolarHBondContact O-CB 3.07Å; N194-N198 PolarHBondContact O-N 2.96Å; H195-N198 PolarHBondContact O-N 3.39Å; N198-H200 VanDerWaalsContact C-N 3.29Å; N198-H200 PolarHBondContact O-N 3.48Å; N198-H200 PolarHBondContact OD1-N 2.92Å; N198-L201 HydrophobicContact CB-CB 4.09Å; N198-L201 HydrophobicContact CB-CD1 4.29Å; N198-L201 HydrophobicContact CB-CG 4.41Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-L201 PolarHBondContact OD1-N 3.39Å; N198-C202 WeakPolarHBondContact O-CB 3.48Å; N198-C202 PolarHBondContact O-N 3.42Å
199E93.3Very high96Very high130 Ų13042.4 Ų42.461%0.60721%0.214SC*.THydrogen-bonded Turntrans-64.3-26.8-174.262.4-179-173.800114.9P203 V255E199-P203 VanDerWaalsContact O-CD 3.22Å; E199-P203 WeakPolarHBondContact O-CD 3.46Å; E199-V255 HydrophobicContact CB-CG2 4.24Å
200H91.6Very high96Very high73 Ų7340.7 Ų40.734%0.33820%0.204SC..THydrogen-bonded Turntrans-87.3-41.2178.9-60.6-47.3000112.2T137 N198T137-H200 HydrophobicContact CG2-CB 4.06Å; N198-H200 VanDerWaalsContact C-N 3.29Å; N198-H200 PolarHBondContact O-N 3.48Å; N198-H200 PolarHBondContact OD1-N 2.92Å
201L94.6Very high96.1Very high23 Ų2332.8 Ų32.812%0.1217%0.17CC..Hα-helixtrans-80.2-36.6-178.5-66.3176.4000113.1I131 N198 F204 I205I131-L201 HydrophobicContact CB-CD2 3.64Å; I131-L201 HydrophobicContact CD1-CD2 4.01Å; I131-L201 HydrophobicContact CG1-CD2 4.12Å; I131-L201 HydrophobicContact CG2-CD2 4.19Å; N198-L201 HydrophobicContact CB-CB 4.09Å; N198-L201 HydrophobicContact CB-CD1 4.29Å; N198-L201 HydrophobicContact CB-CG 4.41Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-L201 PolarHBondContact OD1-N 3.39Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 2.89Å; L201-I205 PolarHBondContact O-N 2.8Å
202C95.6Very high96.1Very high0 Ų031 Ų310%016%0.155CC..Hα-helixtrans-55.5-46.8-174-176.60000112.6H195 V196 N198 F204 I205 Q206 V255H195-C202 PolarHBondContact O-N 3.27Å; V196-C202 PolarHBondContact O-SG 3.28Å; V196-C202 VanDerWaalsContact O-SG 3.36Å; N198-C202 WeakPolarHBondContact O-CB 3.48Å; N198-C202 PolarHBondContact O-N 3.42Å; C202-F204 VanDerWaalsContact C-N 3.3Å; C202-F204 PolarHBondContact O-N 3.33Å; C202-I205 WeakPolarHBondContact O-CG1 3.35Å; C202-I205 PolarHBondContact O-N 3.05Å; C202-Q206 VanDerWaalsContact O-CG 3.27Å; C202-Q206 WeakPolarHBondContact O-CG 3.38Å; C202-Q206 PolarHBondContact O-N 3.46Å; C202-Q206 PolarHBondContact SG-NE2 3.35Å; C202-Q206 VanDerWaalsContact SG-NE2 3.37Å; C202-V255 HydrophobicContact CB-CG1 3.41Å; C202-V255 VanDerWaalsContact CB-CG1 3.41Å
203P95.2Very high96.1Very high20 Ų2032.3 Ų32.313%0.1316%0.164CC..Hα-helixtrans-61-34.2175.5-26.937.3000114.4E199 V207E199-P203 VanDerWaalsContact O-CD 3.22Å; E199-P203 WeakPolarHBondContact O-CD 3.46Å; P203-V207 PolarHBondContact O-N 2.63Å
204F96.4Very high96.2Very high2 Ų227.8 Ų27.81%0.00915%0.15CC..Hα-helixtrans-68.2-46.2175.7164.3-112.8000111.5L127 C140 R141 P144 L182 F186 L201 C202 Q206 V207 L208L127-F204 HydrophobicContact CD2-CZ 4.35Å; C140-F204 HydrophobicContact CB-CD2 4.07Å; C140-F204 HydrophobicContact CB-CG 4.46Å; C140-F204 WeakPolarHBondContact O-CD2 3.42Å; C140-F204 VanDerWaalsContact O-CE2 3.28Å; C140-F204 WeakPolarHBondContact O-CE2 3.37Å; R141-F204 HydrophobicContact CG-CB 4.43Å; P144-F204 HydrophobicContact CG-CE2 4.11Å; L182-F204 HydrophobicContact CD1-CZ 4.01Å; L182-F204 HydrophobicContact CD2-CZ 4.26Å; L182-F204 HydrophobicContact CG-CZ 4.25Å; F186-F204 HydrophobicContact CB-CE1 4.24Å; F186-F204 HydrophobicContact CD1-CD1 4.37Å; F186-F204 AromaticContact CD1-CE1 3.82Å; F186-F204 HydrophobicContact CD1-CE1 3.82Å; F186-F204 AromaticContact CD2-CE1 3.86Å; F186-F204 HydrophobicContact CD2-CE1 3.86Å; F186-F204 HydrophobicContact CD2-CZ 4.33Å; F186-F204 HydrophobicContact CE1-CE1 4.09Å; F186-F204 HydrophobicContact CE2-CE1 4.14Å; F186-F204 AromaticContact CG-CE1 3.7Å; F186-F204 HydrophobicContact CG-CE1 3.7Å; F186-F204 HydrophobicContact CZ-CE1 4.24Å; L201-F204 WeakPolarHBondContact O-CB 3.46Å; L201-F204 PolarHBondContact O-N 2.89Å; C202-F204 VanDerWaalsContact C-N 3.3Å; C202-F204 PolarHBondContact O-N 3.33Å; F204-Q206 VanDerWaalsContact C-N 3.3Å; F204-Q206 PolarHBondContact O-N 3.47Å; F204-V207 WeakPolarHBondContact O-CB 3.41Å; F204-V207 PolarHBondContact O-N 2.89Å; F204-L208 HydrophobicContact CZ-CD2 4.4Å; F204-L208 PolarHBondContact O-N 3.49Å
205I97.4Very high96.3Very high0 Ų024.9 Ų24.90%013%0.13CC..Hα-helixtrans-69.6-27.1178.162.5170.5000112.6F186 L192 H195 V196 L201 C202 L208 L209 F259F186-I205 HydrophobicContact CB-CG2 4.13Å; L192-I205 HydrophobicContact CD1-CD1 3.87Å; H195-I205 HydrophobicContact CB-CD1 3.8Å; H195-I205 HydrophobicContact CB-CG2 4.32Å; V196-I205 HydrophobicContact CB-CD1 4.35Å; V196-I205 HydrophobicContact CG1-CD1 3.68Å; L201-I205 PolarHBondContact O-N 2.8Å; C202-I205 WeakPolarHBondContact O-CG1 3.35Å; C202-I205 PolarHBondContact O-N 3.05Å; I205-L208 PolarHBondContact O-N 3.37Å; I205-L209 VanDerWaalsContact O-CB 3.26Å; I205-L209 WeakPolarHBondContact O-CB 3.27Å; I205-L209 PolarHBondContact O-N 2.81Å; I205-F259 HydrophobicContact CB-CE2 4.18Å; I205-F259 HydrophobicContact CD1-CD2 3.73Å; I205-F259 HydrophobicContact CD1-CE2 3.77Å; I205-F259 HydrophobicContact CD1-CG 4.48Å; I205-F259 HydrophobicContact CG1-CD2 3.8Å; I205-F259 HydrophobicContact CG1-CE2 3.85Å
206Q97.6Very high96.3Very high15 Ų1524 Ų247%0.0713%0.127CC..Hα-helixtrans-61.8-45.6170.7-76.8177.463.100110.9Y161 C202 F204 L209 L210 F259 L262Y161-Q206 HydrophobicContact CD2-CB 4.35Å; C202-Q206 VanDerWaalsContact O-CG 3.27Å; C202-Q206 WeakPolarHBondContact O-CG 3.38Å; C202-Q206 PolarHBondContact O-N 3.46Å; C202-Q206 PolarHBondContact SG-NE2 3.35Å; C202-Q206 VanDerWaalsContact SG-NE2 3.37Å; F204-Q206 VanDerWaalsContact C-N 3.3Å; F204-Q206 PolarHBondContact O-N 3.47Å; Q206-L209 WeakPolarHBondContact O-CB 3.44Å; Q206-L209 PolarHBondContact O-N 3.38Å; Q206-L210 WeakPolarHBondContact O-CG 3.41Å; Q206-L210 PolarHBondContact O-N 3.48Å; Q206-F259 HydrophobicContact CG-CB 4.17Å; Q206-F259 HydrophobicContact CG-CD2 3.95Å; Q206-L262 HydrophobicContact CB-CD1 3.72Å; Q206-L262 HydrophobicContact CG-CD1 3.83Å
207V97.8Very high96.2Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-62.7-47.4172.9170.90000110.9R141 P144 Q145 L152 Y161 P203 F204 L209 L210 V211R141-V207 HydrophobicContact CB-CG2 4.06Å; R141-V207 HydrophobicContact CG-CG2 4.42Å; R141-V207 WeakPolarHBondContact O-CG1 3.49Å; P144-V207 HydrophobicContact CG-CG1 3.56Å; Q145-V207 HydrophobicContact CG-CG1 3.87Å; L152-V207 HydrophobicContact CD1-CB 4.08Å; L152-V207 HydrophobicContact CD1-CG1 3.66Å; L152-V207 HydrophobicContact CD1-CG2 3.95Å; Y161-V207 HydrophobicContact CD1-CG2 4.37Å; Y161-V207 HydrophobicContact CD2-CG2 4.45Å; Y161-V207 HydrophobicContact CE1-CG2 3.68Å; Y161-V207 HydrophobicContact CE2-CG2 3.79Å; Y161-V207 WeakPolarHBondContact OH-CG2 3.44Å; P203-V207 PolarHBondContact O-N 2.63Å; F204-V207 WeakPolarHBondContact O-CB 3.41Å; F204-V207 PolarHBondContact O-N 2.89Å; V207-L209 VanDerWaalsContact C-N 3.26Å; V207-L209 PolarHBondContact O-N 2.94Å; V207-L210 PolarHBondContact O-N 3.23Å; V207-L210 VanDerWaalsContact O-N 3.15Å; V207-V211 HydrophobicContact CG1-CG2 4.05Å; V207-V211 WeakPolarHBondContact O-CG2 3.42Å; V207-V211 PolarHBondContact O-N 3.04Å
208L97.9Very high96.1Very high0 Ų029.6 Ų29.60%016%0.159CC..Hα-helixtrans-60.3-37.6-179.3-174.959.5000111.8P144 L179 L182 F186 L187 F204 I205 A212P144-L208 HydrophobicContact CB-CD1 4.27Å; L179-L208 HydrophobicContact CD1-CD1 3.78Å; L182-L208 HydrophobicContact CB-CD1 4.38Å; L182-L208 HydrophobicContact CD2-CD1 3.65Å; L182-L208 HydrophobicContact CG-CD1 3.89Å; L182-L208 HydrophobicContact CG-CD2 4.11Å; F186-L208 HydrophobicContact CB-CD2 3.76Å; L187-L208 HydrophobicContact CB-CD2 4.29Å; F204-L208 HydrophobicContact CZ-CD2 4.4Å; F204-L208 PolarHBondContact O-N 3.49Å; I205-L208 PolarHBondContact O-N 3.37Å; L208-A212 WeakPolarHBondContact O-CB 3.1Å; L208-A212 PolarHBondContact O-N 3.05Å
209L97.9Very high96.2Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-58.5-51.1173.6-18077.3000111L187 I205 Q206 V207 A212 S213 F220 V227 F259 L262 L263 V266L187-L209 HydrophobicContact CD1-CB 4.49Å; L187-L209 HydrophobicContact CD1-CD1 3.94Å; L187-L209 HydrophobicContact CD2-CD1 4.28Å; I205-L209 VanDerWaalsContact O-CB 3.26Å; I205-L209 WeakPolarHBondContact O-CB 3.27Å; I205-L209 PolarHBondContact O-N 2.81Å; Q206-L209 WeakPolarHBondContact O-CB 3.44Å; Q206-L209 PolarHBondContact O-N 3.38Å; V207-L209 VanDerWaalsContact C-N 3.26Å; V207-L209 PolarHBondContact O-N 2.94Å; L209-A212 PolarHBondContact O-N 3.45Å; L209-S213 WeakPolarHBondContact O-CB 3.49Å; L209-S213 PolarHBondContact O-N 3.27Å; L209-S213 PolarHBondContact O-OG 2.98Å; L209-F220 HydrophobicContact CD1-CE2 3.61Å; L209-F220 HydrophobicContact CD1-CZ 3.74Å; L209-V227 HydrophobicContact CD1-CG1 4.48Å; L209-F259 HydrophobicContact CB-CE2 4.21Å; L209-F259 HydrophobicContact CD1-CZ 4.23Å; L209-F259 HydrophobicContact CD2-CE2 4.13Å; L209-F259 HydrophobicContact CD2-CZ 4.24Å; L209-L262 HydrophobicContact CD2-CB 4.01Å; L209-L263 HydrophobicContact CD1-CD1 3.97Å; L209-L263 HydrophobicContact CD2-CB 4.37Å; L209-L263 HydrophobicContact CD2-CD1 4.41Å; L209-V266 HydrophobicContact CD1-CG2 4.27Å; L209-V266 HydrophobicContact CD2-CG2 4.04Å; L209-V266 HydrophobicContact CG-CG2 4Å
210L97.9Very high96.3Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-63.4-47.7-179.9-68.5175.6000111.7L152 Y161 Q206 V207 A212 S213 A214 L262 V266L152-L210 HydrophobicContact CD1-CB 4.12Å; L152-L210 HydrophobicContact CD1-CD1 3.99Å; L152-L210 HydrophobicContact CD2-CB 3.88Å; L152-L210 HydrophobicContact CD2-CD1 4.19Å; Y161-L210 HydrophobicContact CG-CD1 4.28Å; Q206-L210 WeakPolarHBondContact O-CG 3.41Å; Q206-L210 PolarHBondContact O-N 3.48Å; V207-L210 PolarHBondContact O-N 3.23Å; V207-L210 VanDerWaalsContact O-N 3.15Å; L210-A212 PolarHBondContact O-N 3.39Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 3.3Å; L210-A214 WeakPolarHBondContact O-CB 3.4Å; L210-A214 PolarHBondContact O-N 2.87Å; L210-L262 HydrophobicContact CD1-CD1 4.26Å; L210-L262 HydrophobicContact CD1-CD2 4.43Å; L210-L262 HydrophobicContact CD2-CD2 4.34Å; L210-V266 HydrophobicContact CD2-CG1 3.68Å
211V97.8Very high96.5Very high0 Ų022.4 Ų22.40%013%0.131CC..Hα-helixtrans-61.2-44.9177.8174.40000111.1P144 Q145 A148 V150 L179 V207 A214 R215P144-V211 HydrophobicContact CB-CG1 4.46Å; P144-V211 HydrophobicContact CB-CG2 4.31Å; Q145-V211 HydrophobicContact CG-CG2 4.21Å; A148-V211 HydrophobicContact CB-CG1 3.58Å; V150-V211 HydrophobicContact CB-CG2 4.15Å; V150-V211 HydrophobicContact CG1-CG2 4.25Å; V150-V211 HydrophobicContact CG2-CG1 4.18Å; V150-V211 HydrophobicContact CG2-CG2 4.5Å; L179-V211 HydrophobicContact CD1-CG1 3.87Å; L179-V211 HydrophobicContact CD2-CG1 3.95Å; V207-V211 HydrophobicContact CG1-CG2 4.05Å; V207-V211 WeakPolarHBondContact O-CG2 3.42Å; V207-V211 PolarHBondContact O-N 3.04Å; V211-A214 PolarHBondContact O-N 3.48Å; V211-R215 WeakPolarHBondContact O-CB 3.42Å; V211-R215 PolarHBondContact O-N 2.85Å
212A97.6Very high96.5Very high0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-64.9-40.1177.300000112L187 L208 L209 L210 A214 L216 F220L187-A212 HydrophobicContact CD2-CB 4.09Å; L208-A212 WeakPolarHBondContact O-CB 3.1Å; L208-A212 PolarHBondContact O-N 3.05Å; L209-A212 PolarHBondContact O-N 3.45Å; L210-A212 PolarHBondContact O-N 3.39Å; A212-A214 VanDerWaalsContact C-N 3.25Å; A212-A214 PolarHBondContact O-N 3.41Å; A212-L216 CarbonylContact O-C 3.49Å; A212-L216 WeakPolarHBondContact O-CA 3.26Å; A212-L216 WeakPolarHBondContact O-CB 3.26Å; A212-L216 PolarHBondContact O-N 2.69Å; A212-F220 HydrophobicContact CB-CD2 4.26Å
213S96.7Very high96.5Very high27 Ų2732.8 Ų32.819%0.18918%0.175CC..Hα-helixtrans-63.1-35.1177.576.30000112.1L209 L210L209-S213 WeakPolarHBondContact O-CB 3.49Å; L209-S213 PolarHBondContact O-N 3.27Å; L209-S213 PolarHBondContact O-OG 2.98Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 3.3Å
214A96.9Very high96.6Very high29 Ų2931.9 Ų31.924%0.2417%0.169CC..Hα-helixtrans-79.3-42-179.700000113.9V165 L167 L210 V211 A212V165-A214 HydrophobicContact CG2-CB 3.78Å; L167-A214 HydrophobicContact CD2-CB 4.2Å; L210-A214 WeakPolarHBondContact O-CB 3.4Å; L210-A214 PolarHBondContact O-N 2.87Å; V211-A214 PolarHBondContact O-N 3.48Å; A212-A214 VanDerWaalsContact C-N 3.25Å; A212-A214 PolarHBondContact O-N 3.41Å
215R96.9Very high96.5Very high50 Ų5038.1 Ų38.119%0.18920%0.196CC..Hα-helixtrans-105.5-18.3-170.1-72.5-67.9-165.1179.2-6.1115.1A148 G149 V150 V168 Y175 L179 V211A148-R215 HydrophobicContact CB-CG 4.09Å; A148-R215 PolarHBondContact O-NE 3.27Å; A148-R215 PolarHBondContact O-NH2 3.44Å; G149-R215 PolarHBondContact O-NH2 3.2Å; V150-R215 HydrophobicContact CG2-CG 3.67Å; V168-R215 PolarHBondContact O-NH2 3.49Å; Y175-R215 HydrophobicContact CE2-CB 4.2Å; Y175-R215 HydrophobicContact CE2-CG 4.24Å; L179-R215 HydrophobicContact CD2-CB 3.84Å; V211-R215 WeakPolarHBondContact O-CB 3.42Å; V211-R215 PolarHBondContact O-N 2.85Å
216L96.3Very high96.3Very high9 Ų943.4 Ų43.45%0.04722%0.22CC..  trans-12237178.7-59.7-179.5000110.9I176 L179 K180 A212 D218 V219 F220I176-L216 HydrophobicContact CG2-CD2 3.8Å; L179-L216 HydrophobicContact CB-CD1 4.31Å; L179-L216 HydrophobicContact CD2-CD1 3.86Å; L179-L216 HydrophobicContact CD2-CD2 4.32Å; L179-L216 HydrophobicContact CD2-CG 3.7Å; L179-L216 HydrophobicContact CG-CD1 3.71Å; L179-L216 HydrophobicContact CG-CG 4.14Å; K180-L216 HydrophobicContact CG-CD1 3.92Å; K180-L216 HydrophobicContact CG-CD2 4.14Å; A212-L216 CarbonylContact O-C 3.49Å; A212-L216 WeakPolarHBondContact O-CA 3.26Å; A212-L216 WeakPolarHBondContact O-CB 3.26Å; A212-L216 PolarHBondContact O-N 2.69Å; L216-D218 VanDerWaalsContact C-N 3.29Å; L216-D218 PolarHBondContact O-N 3.07Å; L216-D218 VanDerWaalsContact O-N 3.11Å; L216-V219 HydrophobicContact CB-CB 4.25Å; L216-V219 PolarHBondContact O-N 3.26Å; L216-F220 VanDerWaalsContact O-CB 3.25Å; L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.06Å
217S94Very high96.3Very high62 Ų6242.7 Ų42.743%0.43422%0.216SC..Hα-helixtrans-45.1-47.3-171.556.70000114T221S217-T221 VanDerWaalsContact O-CB 3.26Å; S217-T221 WeakPolarHBondContact O-CB 3.47Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.06Å
218D94.9Very high96.1Very high119 Ų11944.3 Ų44.364%0.63622%0.224SC*.Hα-helixtrans-65.1-46.8178.8-69-24.9000112.9L216 K222L216-D218 VanDerWaalsContact C-N 3.29Å; L216-D218 PolarHBondContact O-N 3.07Å; L216-D218 VanDerWaalsContact O-N 3.11Å; D218-K222 WeakPolarHBondContact O-CB 3.44Å; D218-K222 VanDerWaalsContact O-CG 3.27Å; D218-K222 WeakPolarHBondContact O-CG 3.46Å; D218-K222 PolarHBondContact O-N 3.48Å
219V95.6Very high95.9Very high40 Ų4052.3 Ų52.324%0.24226%0.259CS..Hα-helixtrans-67.6-42.6179.8-179.40000109.9F188 L216 K222 K223F188-V219 HydrophobicContact CE2-CG1 4.17Å; F188-V219 HydrophobicContact CZ-CG1 4.5Å; L216-V219 HydrophobicContact CB-CB 4.25Å; L216-V219 PolarHBondContact O-N 3.26Å; V219-K222 PolarHBondContact O-N 2.81Å; V219-K223 HydrophobicContact CG1-CD 4.3Å; V219-K223 WeakPolarHBondContact O-CB 3.47Å; V219-K223 WeakPolarHBondContact O-CG 3.21Å; V219-K223 PolarHBondContact O-N 3.31Å
220F95.4Very high95.8Very high5 Ų555 Ų552%0.02227%0.269CS..Hα-helixtrans-60.6-50.4178.3-176.3-105.4000110.3L187 L209 A212 L216 K222 K223 F224 V266L187-F220 HydrophobicContact CD2-CE2 4.34Å; L209-F220 HydrophobicContact CD1-CE2 3.61Å; L209-F220 HydrophobicContact CD1-CZ 3.74Å; A212-F220 HydrophobicContact CB-CD2 4.26Å; L216-F220 VanDerWaalsContact O-CB 3.25Å; L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.06Å; F220-K222 PolarHBondContact O-N 3.32Å; F220-K223 CarbonylContact O-C 3.52Å; F220-K223 PolarHBondContact O-N 3.17Å; F220-K223 VanDerWaalsContact O-N 3.14Å; F220-F224 HydrophobicContact CD1-CD2 4.28Å; F220-F224 AromaticContact CE1-CD2 3.52Å; F220-F224 HydrophobicContact CE1-CD2 3.52Å; F220-F224 AromaticContact CE1-CE2 3.87Å; F220-F224 HydrophobicContact CE1-CE2 3.87Å; F220-F224 HydrophobicContact CE2-CD2 4.26Å; F220-F224 AromaticContact CZ-CD2 3.5Å; F220-F224 HydrophobicContact CZ-CD2 3.5Å; F220-F224 AromaticContact CZ-CE2 3.69Å; F220-F224 HydrophobicContact CZ-CE2 3.69Å; F220-F224 WeakPolarHBondContact O-CA 3.25Å; F220-F224 WeakPolarHBondContact O-CB 3.48Å; F220-F224 PolarHBondContact O-N 3.12Å; F220-V266 HydrophobicContact CE1-CB 4.4Å; F220-V266 HydrophobicContact CE1-CG2 4Å; F220-V266 HydrophobicContact CZ-CG2 3.7Å
221T95.4Very high95.7Very high70 Ų7055.1 Ų55.143%0.42927%0.27SS..Hα-helixtrans-58.5-47.4177.2-60.20000111.5S217 K223 F224 P268S217-T221 VanDerWaalsContact O-CB 3.26Å; S217-T221 WeakPolarHBondContact O-CB 3.47Å; S217-T221 PolarHBondContact O-N 3.17Å; S217-T221 PolarHBondContact O-OG1 3.06Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 PolarHBondContact O-N 3.33Å; T221-F224 PolarHBondContact O-N 2.84Å; T221-P268 HydrophobicContact CG2-CB 4.19Å; T221-P268 HydrophobicContact CG2-CG 4.17Å
222K95.9Very high95.4Very high179 Ų17956 Ų5678%0.77828%0.279SS*.Hα-helixtrans-61.9-35.4177-72.9172.8-176.3176.20112.8D218 V219 F220D218-K222 WeakPolarHBondContact O-CB 3.44Å; D218-K222 VanDerWaalsContact O-CG 3.27Å; D218-K222 WeakPolarHBondContact O-CG 3.46Å; D218-K222 PolarHBondContact O-N 3.48Å; V219-K222 PolarHBondContact O-N 2.81Å; F220-K222 PolarHBondContact O-N 3.32Å
223K95.8Very high95.1Very high62 Ų6256 Ų5627%0.2728%0.279SS..Hα-helixtrans-94.7-5.4-178.3-68.9-164.1174.1-159.40114.5F188 V219 F220 T221 K225 K226 V227F188-K223 HydrophobicContact CB-CD 4.15Å; F188-K223 HydrophobicContact CD1-CB 3.87Å; F188-K223 HydrophobicContact CD1-CD 3.86Å; F188-K223 HydrophobicContact CD2-CD 3.54Å; F188-K223 HydrophobicContact CE1-CB 3.68Å; F188-K223 HydrophobicContact CE1-CD 4.1Å; F188-K223 HydrophobicContact CE2-CD 3.78Å; F188-K223 HydrophobicContact CG-CB 4.47Å; F188-K223 HydrophobicContact CG-CD 3.58Å; F188-K223 HydrophobicContact CZ-CB 4.12Å; F188-K223 HydrophobicContact CZ-CD 4.06Å; V219-K223 HydrophobicContact CG1-CD 4.3Å; V219-K223 WeakPolarHBondContact O-CB 3.47Å; V219-K223 WeakPolarHBondContact O-CG 3.21Å; V219-K223 PolarHBondContact O-N 3.31Å; F220-K223 CarbonylContact O-C 3.52Å; F220-K223 PolarHBondContact O-N 3.17Å; F220-K223 VanDerWaalsContact O-N 3.14Å; T221-K223 VanDerWaalsContact C-N 3.3Å; T221-K223 PolarHBondContact O-N 3.33Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 2.99Å; K223-K226 WeakPolarHBondContact O-CA 3.22Å; K223-K226 VanDerWaalsContact O-CB 3.31Å; K223-K226 WeakPolarHBondContact O-CB 3.35Å; K223-K226 PolarHBondContact O-N 3.18Å; K223-V227 PolarHBondContact O-N 3.11Å; K223-V227 VanDerWaalsContact O-N 3.08Å
224F95.9Very high94.9Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-56.9-43.1-171.3-169.4-92.2000113.2F220 T221 K226 V227 M228 L263 V266 M267 P268 N271F220-F224 HydrophobicContact CD1-CD2 4.28Å; F220-F224 AromaticContact CE1-CD2 3.52Å; F220-F224 HydrophobicContact CE1-CD2 3.52Å; F220-F224 AromaticContact CE1-CE2 3.87Å; F220-F224 HydrophobicContact CE1-CE2 3.87Å; F220-F224 HydrophobicContact CE2-CD2 4.26Å; F220-F224 AromaticContact CZ-CD2 3.5Å; F220-F224 HydrophobicContact CZ-CD2 3.5Å; F220-F224 AromaticContact CZ-CE2 3.69Å; F220-F224 HydrophobicContact CZ-CE2 3.69Å; F220-F224 WeakPolarHBondContact O-CA 3.25Å; F220-F224 WeakPolarHBondContact O-CB 3.48Å; F220-F224 PolarHBondContact O-N 3.12Å; T221-F224 PolarHBondContact O-N 2.84Å; F224-K226 PolarHBondContact O-N 3.02Å; F224-V227 WeakPolarHBondContact O-CB 3.45Å; F224-V227 PolarHBondContact O-N 2.97Å; F224-M228 HydrophobicContact CD1-CG 3.99Å; F224-M228 HydrophobicContact CD1-SD 3.79Å; F224-M228 HydrophobicContact CE1-CG 3.55Å; F224-M228 HydrophobicContact CE1-SD 3.41Å; F224-M228 WeakPolarHBondContact CE1-SD 3.32Å; F224-M228 HydrophobicContact CZ-CG 4.24Å; F224-M228 PolarHBondContact O-N 3.2Å; F224-L263 HydrophobicContact CE2-CD1 3.56Å; F224-L263 HydrophobicContact CE2-CG 4.45Å; F224-L263 HydrophobicContact CZ-CD1 3.61Å; F224-L263 HydrophobicContact CZ-CG 4.04Å; F224-L263 WeakPolarHBondContact CZ-O 3.28Å; F224-V266 HydrophobicContact CE2-CG2 4.43Å; F224-M267 HydrophobicContact CD1-CG 4.31Å; F224-M267 HydrophobicContact CE1-CB 4.01Å; F224-M267 HydrophobicContact CE1-CE 3.88Å; F224-M267 HydrophobicContact CE1-CG 3.41Å; F224-M267 VanDerWaalsContact CE1-CG 3.41Å; F224-M267 HydrophobicContact CE1-SD 4Å; F224-M267 HydrophobicContact CE2-CB 4.42Å; F224-M267 VanDerWaalsContact CZ-CA 3.48Å; F224-M267 HydrophobicContact CZ-CB 3.63Å; F224-M267 HydrophobicContact CZ-CE 4.01Å; F224-M267 HydrophobicContact CZ-CG 3.6Å; F224-M267 HydrophobicContact CZ-SD 4.45Å; F224-P268 HydrophobicContact CB-CG 4.15Å; F224-P268 HydrophobicContact CD1-CG 4.47Å; F224-P268 VanDerWaalsContact CD2-CD 3.46Å; F224-P268 HydrophobicContact CD2-CG 4.15Å; F224-P268 VanDerWaalsContact CG-CD 3.48Å; F224-P268 HydrophobicContact CG-CG 3.98Å; F224-N271 HydrophobicContact CD1-CB 4.1Å; F224-N271 HydrophobicContact CE1-CB 4.32Å
225K94.2Very high94.3Very high133 Ų13357.6 Ų57.658%0.57829%0.287SS*.Hα-helixtrans-59-35.1175-69.2-174.2179.7176.90112.7K223 K229 N271K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 2.99Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.43Å; K225-N271 VanDerWaalsContact CG-ND2 3.28Å; K225-N271 WeakPolarHBondContact CG-ND2 3.41Å
226K95Very high93.5Very high112 Ų11258.1 Ų58.149%0.48730%0.297SS..Hα-helixtrans-69.6-40.3175.2-65-174.9177.3-178.30110.7K223 F224 K229 Y230K223-K226 WeakPolarHBondContact O-CA 3.22Å; K223-K226 VanDerWaalsContact O-CB 3.31Å; K223-K226 WeakPolarHBondContact O-CB 3.35Å; K223-K226 PolarHBondContact O-N 3.18Å; F224-K226 PolarHBondContact O-N 3.02Å; K226-K229 PolarHBondContact O-N 3.28Å; K226-Y230 HydrophobicContact CB-CD2 4.37Å; K226-Y230 HydrophobicContact CB-CE2 4.11Å; K226-Y230 VanDerWaalsContact O-CB 3.28Å; K226-Y230 WeakPolarHBondContact O-CB 3.35Å; K226-Y230 WeakPolarHBondContact O-CD2 3.46Å; K226-Y230 PolarHBondContact O-N 2.83Å
227V96.3Very high92.9Very high0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-58.9-49.3174.4179.90000110.6L187 F188 L192 L209 K223 F224 K229 Y230 S231 F259 L263L187-V227 HydrophobicContact CD1-CG1 3.92Å; L187-V227 HydrophobicContact CD1-CG2 4.48Å; L187-V227 HydrophobicContact CG-CG1 4.49Å; L187-V227 HydrophobicContact CG-CG2 4.17Å; F188-V227 HydrophobicContact CD1-CG2 3.59Å; F188-V227 HydrophobicContact CE1-CG2 3.62Å; L192-V227 HydrophobicContact CD2-CG1 3.81Å; L209-V227 HydrophobicContact CD1-CG1 4.48Å; K223-V227 PolarHBondContact O-N 3.11Å; K223-V227 VanDerWaalsContact O-N 3.08Å; F224-V227 WeakPolarHBondContact O-CB 3.45Å; F224-V227 PolarHBondContact O-N 2.97Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 3.04Å; V227-Y230 PolarHBondContact O-N 3.04Å; V227-S231 WeakPolarHBondContact O-CB 3.44Å; V227-S231 PolarHBondContact O-N 2.95Å; V227-S231 PolarHBondContact O-OG 2.94Å; V227-F259 HydrophobicContact CG1-CZ 4.48Å; V227-L263 HydrophobicContact CG1-CD1 3.88Å
228M94.6Very high92.4Very high33 Ų3364.6 Ų64.616%0.16333%0.326CS..Hα-helixtrans-57.3-45.6175.1-71.5177.367.200112.5F224 S231 G232 F234 L263 M267 F275F224-M228 HydrophobicContact CD1-CG 3.99Å; F224-M228 HydrophobicContact CD1-SD 3.79Å; F224-M228 HydrophobicContact CE1-CG 3.55Å; F224-M228 HydrophobicContact CE1-SD 3.41Å; F224-M228 WeakPolarHBondContact CE1-SD 3.32Å; F224-M228 HydrophobicContact CZ-CG 4.24Å; F224-M228 PolarHBondContact O-N 3.2Å; M228-S231 PolarHBondContact O-OG 2.93Å; M228-G232 PolarHBondContact O-N 3.03Å; M228-F234 HydrophobicContact CE-CD2 3.79Å; M228-F234 HydrophobicContact CE-CE2 4.27Å; M228-F234 HydrophobicContact CG-CD2 4.37Å; M228-F234 HydrophobicContact CG-CE2 4.3Å; M228-L263 HydrophobicContact CG-CD2 4.36Å; M228-M267 HydrophobicContact CE-CE 4.31Å; M228-M267 HydrophobicContact SD-CE 4.19Å; M228-F275 HydrophobicContact CE-CD2 4.01Å
229K93.9Very high91.9Very high169 Ų16968 Ų6874%0.73534%0.335SS*.Hα-helixtrans-65.4-44.1179.5-179.2176.5179173.50111.9K225 K226 V227 G232K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.43Å; K226-K229 PolarHBondContact O-N 3.28Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 3.04Å; K229-G232 PolarHBondContact O-N 3.32Å
230Y95.8Very high91.5Very high56 Ų5668.8 Ų68.822%0.2234%0.336CS..Hα-helixtrans-75.8-27.4-176.2-66-18000113.1T189 K190 K193 K226 V227 G232T189-Y230 VanDerWaalsContact C-CD2 3.41Å; T189-Y230 WeakPolarHBondContact O-CB 3.28Å; T189-Y230 VanDerWaalsContact O-CD2 3.24Å; T189-Y230 WeakPolarHBondContact O-CD2 3.36Å; K190-Y230 HydrophobicContact CG-CD1 4Å; K190-Y230 HydrophobicContact CG-CE1 3.73Å; K193-Y230 WeakPolarHBondContact CA-O 3.47Å; K193-Y230 WeakPolarHBondContact CB-O 3.39Å; K193-Y230 PolarHBondContact N-O 3.46Å; K226-Y230 HydrophobicContact CB-CD2 4.37Å; K226-Y230 HydrophobicContact CB-CE2 4.11Å; K226-Y230 VanDerWaalsContact O-CB 3.28Å; K226-Y230 WeakPolarHBondContact O-CB 3.35Å; K226-Y230 WeakPolarHBondContact O-CD2 3.46Å; K226-Y230 PolarHBondContact O-N 2.83Å; V227-Y230 PolarHBondContact O-N 3.04Å; Y230-G232 VanDerWaalsContact C-N 3.29Å
231S95.2Very high90.9Very high2 Ų275.2 Ų75.21%0.01437%0.371CS..Hα-helixtrans-69.5-30.8173.572.20000111.7V227 M228 L233V227-S231 WeakPolarHBondContact O-CB 3.44Å; V227-S231 PolarHBondContact O-N 2.95Å; V227-S231 PolarHBondContact O-OG 2.94Å; M228-S231 PolarHBondContact O-OG 2.93Å; S231-L233 PolarHBondContact O-N 3.22Å
232G91.7Very high90.5Very high18 Ų1875.3 Ų75.319%0.18637%0.369CS..  trans67.213.2-179.400000114.1M228 K229 Y230M228-G232 PolarHBondContact O-N 3.03Å; K229-G232 PolarHBondContact O-N 3.32Å; Y230-G232 VanDerWaalsContact C-N 3.29Å
233L91.9Very high90Very high1 Ų169.3 Ų69.31%0.00535%0.345CS..THydrogen-bonded Turntrans-77.1-27-168.6-64.2173.6000114.5V196 S231 A256 F259 A260V196-L233 HydrophobicContact CB-CD1 4.48Å; V196-L233 HydrophobicContact CB-CD2 4.37Å; V196-L233 HydrophobicContact CG1-CD1 4.35Å; V196-L233 HydrophobicContact CG2-CD2 3.8Å; V196-L233 HydrophobicContact CG2-CG 4.34Å; S231-L233 PolarHBondContact O-N 3.22Å; L233-A256 HydrophobicContact CD2-CB 3.65Å; L233-F259 HydrophobicContact CD1-CD1 3.57Å; L233-F259 HydrophobicContact CD1-CE1 4.25Å; L233-A260 HydrophobicContact CD1-CB 4.06Å
234F90.9Very high89.5Confident12 Ų1268.4 Ų68.45%0.05334%0.344CS..THydrogen-bonded Turntrans-110.219.3-169.8-53.4-39.5000113M228 Y251 A260 L263 V264 M267 F275 V311M228-F234 HydrophobicContact CE-CD2 3.79Å; M228-F234 HydrophobicContact CE-CE2 4.27Å; M228-F234 HydrophobicContact CG-CD2 4.37Å; M228-F234 HydrophobicContact CG-CE2 4.3Å; F234-Y251 HydrophobicContact CD1-CD1 4.33Å; F234-Y251 AromaticContact CD1-CE1 3.41Å; F234-Y251 HydrophobicContact CD1-CE1 3.41Å; F234-Y251 VanDerWaalsContact CD1-CE1 3.41Å; F234-Y251 HydrophobicContact CD1-CE2 4.43Å; F234-Y251 AromaticContact CD1-CZ 3.47Å; F234-Y251 VanDerWaalsContact CD1-CZ 3.47Å; F234-Y251 VanDerWaalsContact CD1-OH 3.26Å; F234-Y251 WeakPolarHBondContact CD1-OH 3.27Å; F234-Y251 HydrophobicContact CE1-CD1 4.45Å; F234-Y251 AromaticContact CE1-CE1 3.71Å; F234-Y251 HydrophobicContact CE1-CE1 3.71Å; F234-A260 HydrophobicContact CE1-CB 4.06Å; F234-L263 HydrophobicContact CE2-CD2 3.54Å; F234-L263 HydrophobicContact CE2-CG 4.14Å; F234-L263 HydrophobicContact CZ-CB 4.42Å; F234-L263 HydrophobicContact CZ-CD2 3.84Å; F234-L263 HydrophobicContact CZ-CG 4.28Å; F234-V264 HydrophobicContact CE1-CG2 4.42Å; F234-V264 HydrophobicContact CZ-CG2 3.95Å; F234-M267 HydrophobicContact CE2-CE 4.24Å; F234-F275 HydrophobicContact CB-CE2 4.03Å; F234-F275 HydrophobicContact CD1-CE2 4Å; F234-F275 HydrophobicContact CD1-CZ 4.13Å; F234-F275 HydrophobicContact CD2-CD2 4.33Å; F234-F275 AromaticContact CD2-CE2 3.71Å; F234-F275 HydrophobicContact CD2-CE2 3.71Å; F234-F275 HydrophobicContact CD2-CZ 4.36Å; F234-F275 HydrophobicContact CE1-CE2 4.32Å; F234-F275 HydrophobicContact CE1-CZ 4.09Å; F234-F275 HydrophobicContact CE2-CE2 4.06Å; F234-F275 HydrophobicContact CE2-CZ 4.33Å; F234-F275 AromaticContact CG-CE2 3.65Å; F234-F275 HydrophobicContact CG-CE2 3.65Å; F234-F275 HydrophobicContact CG-CZ 4.23Å; F234-F275 HydrophobicContact CZ-CE2 4.34Å; F234-F275 HydrophobicContact CZ-CZ 4.19Å; F234-V311 HydrophobicContact CE1-CG1 4.4Å
235S84.4Confident89Confident78 Ų7874.1 Ų74.155%0.54537%0.369SS..SBendtrans-112135.5176.9-59.50000109.3
236P81.3Confident88.7Confident60 Ų6070.7 Ų70.739%0.3935%0.353SS..  trans-62.6144176.726-33000110.5L238 R246 Y247P236-L238 HydrophobicContact CG-CD2 4.23Å; P236-L238 PolarHBondContact O-N 3.44Å; P236-L238 VanDerWaalsContact O-N 3.07Å; P236-R246 CarbonylContact C-O 2.97Å; P236-R246 VanDerWaalsContact CA-O 3.22Å; P236-R246 WeakPolarHBondContact CA-O 3.48Å; P236-R246 HydrophobicContact CB-CG 4.11Å; P236-Y247 HydrophobicContact CB-CD1 4.38Å
237N83Confident88.3Confident73 Ų7367.5 Ų67.539%0.3934%0.338SS..  trans-80.286.9175.2-176.212.9000109.9K239 E240 R246N237-K239 PolarHBondContact O-N 3.41Å; N237-K239 PolarHBondContact OD1-N 2.82Å; N237-E240 HydrophobicContact CB-CB 4.24Å; N237-E240 WeakPolarHBondContact O-CB 3.28Å; N237-E240 PolarHBondContact O-N 3.46Å; N237-R246 PolarHBondContact N-O 3.02Å; N237-R246 WeakPolarHBondContact O-CG 3.45Å
238L83.5Confident87.9Confident135 Ų13568.7 Ų68.771%0.70734%0.344SS*.THydrogen-bonded Turntrans-59.2-13.2-176.6-60.2178000114.7P236P236-L238 HydrophobicContact CG-CD2 4.23Å; P236-L238 PolarHBondContact O-N 3.44Å; P236-L238 VanDerWaalsContact O-N 3.07Å
239K84.6Confident87.2Confident189 Ų18968.4 Ų68.482%0.82235%0.35SS*.THydrogen-bonded Turntrans-85.7-9.7175.7-61.1-172.9176.4-169.60114N237N237-K239 PolarHBondContact O-N 3.41Å; N237-K239 PolarHBondContact OD1-N 2.82Å
240E86.1Confident86.7Confident57 Ų5762 Ų6227%0.26633%0.326SS..  trans-89.6127.9-179177.364.4-10900109.7N237 D242 K245 R246N237-E240 HydrophobicContact CB-CB 4.24Å; N237-E240 WeakPolarHBondContact O-CB 3.28Å; N237-E240 PolarHBondContact O-N 3.46Å; E240-D242 HydrophobicContact CG-CB 4.38Å; E240-D242 WeakPolarHBondContact CG-O 3.47Å; E240-D242 PolarHBondContact OE1-N 2.97Å; E240-K245 HydrophobicContact CG-CB 3.41Å; E240-K245 VanDerWaalsContact CG-CB 3.41Å; E240-K245 HydrophobicContact CG-CD 4.49Å; E240-R246 HydrophobicContact CB-CB 4.16Å; E240-R246 HydrophobicContact CG-CB 4.32Å; E240-R246 VanDerWaalsContact O-CZ 3.23Å; E240-R246 PolarHBondContact O-NE 3.31Å; E240-R246 PolarHBondContact O-NH2 3.01Å
241D84.3Confident86.4Confident141 Ų14159.5 Ų59.575%0.75432%0.317SS*.SBendtrans-79.7-35.3-178.1-66.7-31.7000111.5L243D241-L243 PolarHBondContact O-N 3.21Å; D241-L243 VanDerWaalsContact O-N 3.11Å
242D87.1Confident86.2Confident72 Ų7261 Ų6139%0.38533%0.329SS..SBendtrans-68.8110.3172.8-178.4-63.1000109.5E240 V244 K245 R246E240-D242 HydrophobicContact CG-CB 4.38Å; E240-D242 WeakPolarHBondContact CG-O 3.47Å; E240-D242 PolarHBondContact OE1-N 2.97Å; D242-V244 PolarHBondContact O-N 3.14Å; D242-V244 WeakPolarHBondContact OD1-CA 3.27Å; D242-V244 VanDerWaalsContact OD1-CB 3.28Å; D242-V244 WeakPolarHBondContact OD1-CB 3.41Å; D242-V244 PolarHBondContact OD1-N 3.21Å; D242-K245 HydrophobicContact CB-CB 4.02Å; D242-K245 HydrophobicContact CB-CD 3.96Å; D242-K245 HydrophobicContact CB-CG 4.04Å; D242-K245 CarbonylContact O-C 3.59Å; D242-K245 PolarHBondContact O-N 2.96Å; D242-K245 VanDerWaalsContact O-N 3.12Å; D242-K245 PolarHBondContact OD1-N 3.05Å; D242-R246 WeakPolarHBondContact O-CB 3.31Å; D242-R246 PolarHBondContact O-N 3.43Å
243L84.1Confident86.2Confident52 Ų5262.4 Ų62.427%0.27233%0.332SS..Hα-helixtrans-58.6-33.2-175.7-67.2168.5000112.5D241 R246 Y247 S285 L286D241-L243 PolarHBondContact O-N 3.21Å; D241-L243 VanDerWaalsContact O-N 3.11Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 3.45Å; L243-Y247 WeakPolarHBondContact O-CD2 3.22Å; L243-Y247 PolarHBondContact O-N 3.17Å; L243-Y247 VanDerWaalsContact O-N 3.14Å; L243-S285 WeakPolarHBondContact CD1-O 3.33Å; L243-L286 HydrophobicContact CB-CD2 3.42Å; L243-L286 VanDerWaalsContact CB-CD2 3.42Å; L243-L286 HydrophobicContact CD1-CD2 4.44Å
244V84.8Confident86.3Confident43 Ų4366.6 Ų66.626%0.26136%0.36SS..Hα-helixtrans-68.4-48.3177.7-178.70000109.7D242 R246 Y247 L248 L286 V301 F340D242-V244 PolarHBondContact O-N 3.14Å; D242-V244 WeakPolarHBondContact OD1-CA 3.27Å; D242-V244 VanDerWaalsContact OD1-CB 3.28Å; D242-V244 WeakPolarHBondContact OD1-CB 3.41Å; D242-V244 PolarHBondContact OD1-N 3.21Å; V244-R246 VanDerWaalsContact C-N 3.28Å; V244-R246 PolarHBondContact O-N 2.82Å; V244-Y247 PolarHBondContact O-N 3.42Å; V244-L248 HydrophobicContact CG1-CD1 3.74Å; V244-L248 HydrophobicContact CG1-CG 4.18Å; V244-L248 VanDerWaalsContact O-CB 3.32Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 WeakPolarHBondContact O-CG 3.47Å; V244-L248 PolarHBondContact O-N 3.05Å; V244-L286 HydrophobicContact CG2-CD2 3.96Å; V244-V301 HydrophobicContact CG1-CG1 4.3Å; V244-F340 HydrophobicContact CG1-CE1 4.3Å; V244-F340 HydrophobicContact CG2-CE1 4.06Å; V244-F340 HydrophobicContact CG2-CZ 3.61Å
245K86.6Confident86.5Confident120 Ų12067.6 Ų67.652%0.52237%0.366SS..Hα-helixtrans-63.6-33174.8-67.3-177.7-171.1168.90112.1E240 D242 G249E240-K245 HydrophobicContact CG-CB 3.41Å; E240-K245 VanDerWaalsContact CG-CB 3.41Å; E240-K245 HydrophobicContact CG-CD 4.49Å; D242-K245 HydrophobicContact CB-CB 4.02Å; D242-K245 HydrophobicContact CB-CD 3.96Å; D242-K245 HydrophobicContact CB-CG 4.04Å; D242-K245 CarbonylContact O-C 3.59Å; D242-K245 PolarHBondContact O-N 2.96Å; D242-K245 VanDerWaalsContact O-N 3.12Å; D242-K245 PolarHBondContact OD1-N 3.05Å; K245-G249 WeakPolarHBondContact O-CA 3.41Å; K245-G249 PolarHBondContact O-N 3.22Å
246R87.3Confident87Confident61 Ų6163.9 Ų63.923%0.2334%0.34CS..Hα-helixtrans-59.3-46174.7174-179.6-60.5179.42.4111.3P236 N237 E240 D242 L243 V244P236-R246 CarbonylContact C-O 2.97Å; P236-R246 VanDerWaalsContact CA-O 3.22Å; P236-R246 WeakPolarHBondContact CA-O 3.48Å; P236-R246 HydrophobicContact CB-CG 4.11Å; N237-R246 PolarHBondContact N-O 3.02Å; N237-R246 WeakPolarHBondContact O-CG 3.45Å; E240-R246 HydrophobicContact CB-CB 4.16Å; E240-R246 HydrophobicContact CG-CB 4.32Å; E240-R246 VanDerWaalsContact O-CZ 3.23Å; E240-R246 PolarHBondContact O-NE 3.31Å; E240-R246 PolarHBondContact O-NH2 3.01Å; D242-R246 WeakPolarHBondContact O-CB 3.31Å; D242-R246 PolarHBondContact O-N 3.43Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 3.45Å; V244-R246 VanDerWaalsContact C-N 3.28Å; V244-R246 PolarHBondContact O-N 2.82Å
247Y86.6Confident87.7Confident46 Ų4661.1 Ų61.118%0.1832%0.322CS..Hα-helixtrans-79.5-39.9178.6-73.8-68.5000113.2P236 L243 V244 G249 C284 S285 L286P236-Y247 HydrophobicContact CB-CD1 4.38Å; L243-Y247 WeakPolarHBondContact O-CD2 3.22Å; L243-Y247 PolarHBondContact O-N 3.17Å; L243-Y247 VanDerWaalsContact O-N 3.14Å; V244-Y247 PolarHBondContact O-N 3.42Å; Y247-G249 VanDerWaalsContact C-N 3.34Å; Y247-C284 HydrophobicContact CD1-CB 4.37Å; Y247-C284 VanDerWaalsContact CD1-SG 3.51Å; Y247-C284 HydrophobicContact CD2-CB 3.9Å; Y247-C284 HydrophobicContact CE1-CB 4.09Å; Y247-C284 HydrophobicContact CE2-CB 3.61Å; Y247-C284 HydrophobicContact CG-CB 4.29Å; Y247-S285 PolarHBondContact OH-N 3.23Å; Y247-L286 HydrophobicContact CD2-CD2 4.45Å; Y247-L286 HydrophobicContact CD2-CG 4.43Å; Y247-L286 HydrophobicContact CE2-CG 4.45Å
248L87.2Confident88.3Confident24 Ų2461.6 Ų61.613%0.12632%0.319CS..Hα-helixtrans-67-36.2177.7-75.3-178.2000112.1V244 S250 Y251 A252 V301 L302 A308V244-L248 HydrophobicContact CG1-CD1 3.74Å; V244-L248 HydrophobicContact CG1-CG 4.18Å; V244-L248 VanDerWaalsContact O-CB 3.32Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 WeakPolarHBondContact O-CG 3.47Å; V244-L248 PolarHBondContact O-N 3.05Å; L248-S250 PolarHBondContact O-N 3.43Å; L248-Y251 WeakPolarHBondContact O-CA 3.47Å; L248-Y251 WeakPolarHBondContact O-CB 3.28Å; L248-Y251 WeakPolarHBondContact O-CD2 3.39Å; L248-Y251 PolarHBondContact O-N 2.76Å; L248-A252 HydrophobicContact CB-CB 4.09Å; L248-A252 PolarHBondContact O-N 2.78Å; L248-V301 HydrophobicContact CD2-CG1 3.77Å; L248-V301 HydrophobicContact CG-CG1 3.86Å; L248-L302 HydrophobicContact CD2-CD2 4.29Å; L248-A308 HydrophobicContact CD2-CB 3.75Å
249G81.2Confident88.9Confident28 Ų2855.1 Ų55.129%0.28929%0.286SS..G310 helixtrans33.3-119.6172.100000113.9K245 Y247K245-G249 WeakPolarHBondContact O-CA 3.41Å; K245-G249 PolarHBondContact O-N 3.22Å; Y247-G249 VanDerWaalsContact C-N 3.34Å
250S82.6Confident89.5Confident34 Ų3446.1 Ų46.124%0.23825%0.246CC..G310 helixtrans-77.1-14.8179.1-55.90000114.9L248 A252 N253L248-S250 PolarHBondContact O-N 3.43Å; S250-A252 PolarHBondContact O-N 3.38Å; S250-N253 WeakPolarHBondContact O-CB 3.4Å; S250-N253 PolarHBondContact O-N 3.42Å
251Y89.9Confident89.9Confident4 Ų444.1 Ų44.12%0.01624%0.237CC..G310 helixtrans-63.1-34173.8-61.8-88.8000111.7F234 L248 N253 T257 L298 L302 V311F234-Y251 HydrophobicContact CD1-CD1 4.33Å; F234-Y251 AromaticContact CD1-CE1 3.41Å; F234-Y251 HydrophobicContact CD1-CE1 3.41Å; F234-Y251 VanDerWaalsContact CD1-CE1 3.41Å; F234-Y251 HydrophobicContact CD1-CE2 4.43Å; F234-Y251 AromaticContact CD1-CZ 3.47Å; F234-Y251 VanDerWaalsContact CD1-CZ 3.47Å; F234-Y251 VanDerWaalsContact CD1-OH 3.26Å; F234-Y251 WeakPolarHBondContact CD1-OH 3.27Å; F234-Y251 HydrophobicContact CE1-CD1 4.45Å; F234-Y251 AromaticContact CE1-CE1 3.71Å; F234-Y251 HydrophobicContact CE1-CE1 3.71Å; L248-Y251 WeakPolarHBondContact O-CA 3.47Å; L248-Y251 WeakPolarHBondContact O-CB 3.28Å; L248-Y251 WeakPolarHBondContact O-CD2 3.39Å; L248-Y251 PolarHBondContact O-N 2.76Å; Y251-N253 VanDerWaalsContact C-N 3.34Å; Y251-T257 WeakPolarHBondContact O-CB 3.26Å; Y251-T257 PolarHBondContact O-OG1 3.47Å; Y251-L298 HydrophobicContact CE2-CD2 4.21Å; Y251-L302 HydrophobicContact CD1-CD2 3.79Å; Y251-L302 HydrophobicContact CD2-CD2 3.98Å; Y251-L302 HydrophobicContact CE1-CD1 4.4Å; Y251-L302 HydrophobicContact CE1-CD2 4.3Å; Y251-L302 HydrophobicContact CE2-CD2 4.49Å; Y251-L302 HydrophobicContact CG-CD2 3.61Å; Y251-V311 HydrophobicContact CD1-CB 3.94Å; Y251-V311 HydrophobicContact CD1-CG1 3.82Å; Y251-V311 HydrophobicContact CD1-CG2 3.98Å; Y251-V311 HydrophobicContact CE1-CB 4.4Å; Y251-V311 HydrophobicContact CE1-CG1 3.79Å
252A90.6Very high90.5Very high32 Ų3237.6 Ų37.626%0.26420%0.202SC..G310 helixtrans-83.7-7.5-179.900000113.9L248 S250 T307L248-A252 HydrophobicContact CB-CB 4.09Å; L248-A252 PolarHBondContact O-N 2.78Å; S250-A252 PolarHBondContact O-N 3.38Å; A252-T307 VanDerWaalsContact CA-OG1 3.24Å; A252-T307 WeakPolarHBondContact CA-OG1 3.41Å; A252-T307 PolarHBondContact O-OG1 2.8Å; A252-T307 VanDerWaalsContact O-OG1 3.04Å
253N93.2Very high90.9Very high48 Ų4834.2 Ų34.226%0.25718%0.184SC..  trans-66.1129.3179.3-180-74.6000110.4S250 Y251 V255 A256 T257S250-N253 WeakPolarHBondContact O-CB 3.4Å; S250-N253 PolarHBondContact O-N 3.42Å; Y251-N253 VanDerWaalsContact C-N 3.34Å; N253-V255 PolarHBondContact O-N 3.41Å; N253-V255 VanDerWaalsContact O-N 3.13Å; N253-V255 PolarHBondContact OD1-N 2.93Å; N253-A256 HydrophobicContact CB-CB 3.89Å; N253-A256 PolarHBondContact O-N 2.99Å; N253-A256 PolarHBondContact OD1-N 3.26Å; N253-T257 WeakPolarHBondContact O-CB 3.45Å; N253-T257 WeakPolarHBondContact O-CG2 3.44Å; N253-T257 PolarHBondContact O-N 3.1Å; N253-T257 VanDerWaalsContact O-N 3.08Å
254P93.4Very high91.5Very high90 Ų9031.7 Ų31.758%0.58417%0.171SC*.THydrogen-bonded Turntrans-65.3-20.5-171.525.4-35.3000114.1Y258P254-Y258 WeakPolarHBondContact O-CD2 3.26Å; P254-Y258 WeakPolarHBondContact O-CE2 3.42Å
255V94.6Very high92Very high32 Ų3231.1 Ų31.119%0.19417%0.165CC..THydrogen-bonded Turntrans-98.4-49.2177.8-179.40000110.3E199 C202 N253 T257 Y258E199-V255 HydrophobicContact CB-CG2 4.24Å; C202-V255 HydrophobicContact CB-CG1 3.41Å; C202-V255 VanDerWaalsContact CB-CG1 3.41Å; N253-V255 PolarHBondContact O-N 3.41Å; N253-V255 VanDerWaalsContact O-N 3.13Å; N253-V255 PolarHBondContact OD1-N 2.93Å; V255-T257 VanDerWaalsContact C-N 3.28Å; V255-T257 PolarHBondContact O-N 3.26Å; V255-Y258 PolarHBondContact O-N 3.47Å
256A95.6Very high92.5Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-69.8-24.8-17200000113.3V196 V197 L233 N253 Y258 F259 A260V196-A256 HydrophobicContact CB-CB 4.41Å; V196-A256 HydrophobicContact CG2-CB 4.47Å; V196-A256 VanDerWaalsContact O-CA 3.24Å; V196-A256 WeakPolarHBondContact O-CA 3.41Å; V196-A256 WeakPolarHBondContact O-CB 3.32Å; V196-A256 PolarHBondContact O-N 2.86Å; V197-A256 HydrophobicContact CG1-CB 4.12Å; L233-A256 HydrophobicContact CD2-CB 3.65Å; N253-A256 HydrophobicContact CB-CB 3.89Å; N253-A256 PolarHBondContact O-N 2.99Å; N253-A256 PolarHBondContact OD1-N 3.26Å; A256-Y258 PolarHBondContact O-N 3.34Å; A256-F259 PolarHBondContact O-N 3.01Å; A256-F259 VanDerWaalsContact O-N 3.14Å; A256-A260 WeakPolarHBondContact O-CB 3.41Å; A256-A260 PolarHBondContact O-N 3.39Å
257T95.2Very high92.9Very high2 Ų223.6 Ų23.61%0.01214%0.136CC..Hα-helixtrans-56.5-37176.1-171.60000112.5Y251 N253 V255 A260 E261 T307Y251-T257 WeakPolarHBondContact O-CB 3.26Å; Y251-T257 PolarHBondContact O-OG1 3.47Å; N253-T257 WeakPolarHBondContact O-CB 3.45Å; N253-T257 WeakPolarHBondContact O-CG2 3.44Å; N253-T257 PolarHBondContact O-N 3.1Å; N253-T257 VanDerWaalsContact O-N 3.08Å; V255-T257 VanDerWaalsContact C-N 3.28Å; V255-T257 PolarHBondContact O-N 3.26Å; T257-A260 WeakPolarHBondContact O-CB 3.43Å; T257-A260 PolarHBondContact O-N 3.37Å; T257-E261 WeakPolarHBondContact O-CB 3.5Å; T257-E261 PolarHBondContact O-N 3.04Å; T257-T307 PolarHBondContact OG1-O 2.99Å
258Y95.3Very high93.3Very high83 Ų8322.5 Ų22.533%0.32513%0.134SC..Hα-helixtrans-67.6-39178.2-64.8-73.7000112.4T160 P254 V255 A256 L262T160-Y258 HydrophobicContact CG2-CD1 3.63Å; T160-Y258 HydrophobicContact CG2-CE1 3.51Å; P254-Y258 WeakPolarHBondContact O-CD2 3.26Å; P254-Y258 WeakPolarHBondContact O-CE2 3.42Å; V255-Y258 PolarHBondContact O-N 3.47Å; A256-Y258 PolarHBondContact O-N 3.34Å; Y258-L262 PolarHBondContact O-N 3.15Å
259F96.5Very high93.7Very high0 Ų023.7 Ų23.70%015%0.152CC..Hα-helixtrans-69.5-39.9173-172.6-85.5000111.3L187 L192 V196 I205 Q206 L209 V227 L233 A256 L262 L263L187-F259 HydrophobicContact CD1-CE2 4.32Å; L187-F259 HydrophobicContact CD1-CZ 3.92Å; L192-F259 HydrophobicContact CD1-CZ 4.11Å; L192-F259 HydrophobicContact CD2-CZ 4.41Å; V196-F259 HydrophobicContact CB-CD1 4.49Å; V196-F259 HydrophobicContact CB-CG 4.5Å; V196-F259 HydrophobicContact CG1-CB 4.35Å; V196-F259 HydrophobicContact CG1-CD1 3.57Å; V196-F259 HydrophobicContact CG1-CD2 4.21Å; V196-F259 HydrophobicContact CG1-CE1 3.78Å; V196-F259 HydrophobicContact CG1-CE2 4.41Å; V196-F259 HydrophobicContact CG1-CG 3.78Å; V196-F259 HydrophobicContact CG1-CZ 4.21Å; I205-F259 HydrophobicContact CB-CE2 4.18Å; I205-F259 HydrophobicContact CD1-CD2 3.73Å; I205-F259 HydrophobicContact CD1-CE2 3.77Å; I205-F259 HydrophobicContact CD1-CG 4.48Å; I205-F259 HydrophobicContact CG1-CD2 3.8Å; I205-F259 HydrophobicContact CG1-CE2 3.85Å; Q206-F259 HydrophobicContact CG-CB 4.17Å; Q206-F259 HydrophobicContact CG-CD2 3.95Å; L209-F259 HydrophobicContact CB-CE2 4.21Å; L209-F259 HydrophobicContact CD1-CZ 4.23Å; L209-F259 HydrophobicContact CD2-CE2 4.13Å; L209-F259 HydrophobicContact CD2-CZ 4.24Å; V227-F259 HydrophobicContact CG1-CZ 4.48Å; L233-F259 HydrophobicContact CD1-CD1 3.57Å; L233-F259 HydrophobicContact CD1-CE1 4.25Å; A256-F259 PolarHBondContact O-N 3.01Å; A256-F259 VanDerWaalsContact O-N 3.14Å; F259-L262 PolarHBondContact O-N 2.82Å; F259-L263 HydrophobicContact CD1-CB 4.42Å; F259-L263 HydrophobicContact CE1-CB 4.37Å; F259-L263 HydrophobicContact CE1-CD1 4.48Å; F259-L263 HydrophobicContact CE1-CD2 4.09Å; F259-L263 WeakPolarHBondContact O-CB 3.23Å; F259-L263 PolarHBondContact O-N 2.75Å
260A96.3Very high94.2Very high0 Ų025.8 Ų25.80%017%0.167CC..Hα-helixtrans-60.8-44.517600000111.8L233 F234 A256 T257 L263 V264 V311L233-A260 HydrophobicContact CD1-CB 4.06Å; F234-A260 HydrophobicContact CE1-CB 4.06Å; A256-A260 WeakPolarHBondContact O-CB 3.41Å; A256-A260 PolarHBondContact O-N 3.39Å; T257-A260 WeakPolarHBondContact O-CB 3.43Å; T257-A260 PolarHBondContact O-N 3.37Å; A260-L263 PolarHBondContact O-N 2.91Å; A260-V264 WeakPolarHBondContact O-CG2 3.41Å; A260-V264 PolarHBondContact O-N 2.96Å; A260-V264 VanDerWaalsContact O-N 3.07Å; A260-V311 HydrophobicContact CB-CG1 4.46Å; A260-V311 HydrophobicContact CB-CG2 3.66Å
261E95.5Very high94.8Very high14 Ų1425.3 Ų25.37%0.06516%0.162CC..Hα-helixtrans-55.6-55.8175.2-172.8176-169.800110.4T257 L263 V264 E265 R310 A314 R317T257-E261 WeakPolarHBondContact O-CB 3.5Å; T257-E261 PolarHBondContact O-N 3.04Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.49Å; E261-V264 PolarHBondContact O-N 2.84Å; E261-E265 PolarHBondContact O-N 3.07Å; E261-E265 VanDerWaalsContact O-N 3.1Å; E261-R310 IonicContact OE1-NH2 3.27Å; E261-R310 IonicContact OE2-CZ 3.6Å; E261-R310 IonicContact OE2-NE 3.47Å; E261-R310 PolarHBondContact OE2-NE 3.2Å; E261-R310 IonicContact OE2-NH2 3.36Å; E261-R310 PolarHBondContact OE2-NH2 2.94Å; E261-A314 HydrophobicContact CG-CB 3.87Å; E261-R317 IonicContact OE1-CZ 3.54Å; E261-R317 IonicContact OE1-NH2 2.93Å; E261-R317 PolarHBondContact OE1-NH2 3.01Å
262L96.3Very high95.1Very high5 Ų525.5 Ų25.53%0.02616%0.163CC..Hα-helixtrans-63.5-37.5178.6-70.6177.7000113.1Y161 Q206 L209 L210 Y258 F259 V264 E265 V266Y161-L262 WeakPolarHBondContact O-CD2 3.25Å; Q206-L262 HydrophobicContact CB-CD1 3.72Å; Q206-L262 HydrophobicContact CG-CD1 3.83Å; L209-L262 HydrophobicContact CD2-CB 4.01Å; L210-L262 HydrophobicContact CD1-CD1 4.26Å; L210-L262 HydrophobicContact CD1-CD2 4.43Å; L210-L262 HydrophobicContact CD2-CD2 4.34Å; Y258-L262 PolarHBondContact O-N 3.15Å; F259-L262 PolarHBondContact O-N 2.82Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 3.39Å; L262-E265 PolarHBondContact O-N 3.15Å; L262-E265 VanDerWaalsContact O-N 3.09Å; L262-V266 WeakPolarHBondContact O-CG2 3.5Å; L262-V266 PolarHBondContact O-N 3.25Å
263L96.6Very high95.3Very high0 Ų025 Ų250%016%0.159CC..Hα-helixtrans-62.1-36178.4-174.564.5000111.6L209 F224 V227 M228 F234 F259 A260 E261 M267L209-L263 HydrophobicContact CD1-CD1 3.97Å; L209-L263 HydrophobicContact CD2-CB 4.37Å; L209-L263 HydrophobicContact CD2-CD1 4.41Å; F224-L263 HydrophobicContact CE2-CD1 3.56Å; F224-L263 HydrophobicContact CE2-CG 4.45Å; F224-L263 HydrophobicContact CZ-CD1 3.61Å; F224-L263 HydrophobicContact CZ-CG 4.04Å; F224-L263 WeakPolarHBondContact CZ-O 3.28Å; V227-L263 HydrophobicContact CG1-CD1 3.88Å; M228-L263 HydrophobicContact CG-CD2 4.36Å; F234-L263 HydrophobicContact CE2-CD2 3.54Å; F234-L263 HydrophobicContact CE2-CG 4.14Å; F234-L263 HydrophobicContact CZ-CB 4.42Å; F234-L263 HydrophobicContact CZ-CD2 3.84Å; F234-L263 HydrophobicContact CZ-CG 4.28Å; F259-L263 HydrophobicContact CD1-CB 4.42Å; F259-L263 HydrophobicContact CE1-CB 4.37Å; F259-L263 HydrophobicContact CE1-CD1 4.48Å; F259-L263 HydrophobicContact CE1-CD2 4.09Å; F259-L263 WeakPolarHBondContact O-CB 3.23Å; F259-L263 PolarHBondContact O-N 2.75Å; A260-L263 PolarHBondContact O-N 2.91Å; E261-L263 VanDerWaalsContact C-N 3.34Å; E261-L263 PolarHBondContact O-N 3.49Å; L263-M267 WeakPolarHBondContact O-CB 3.5Å; L263-M267 PolarHBondContact O-N 3.34Å
264V96.9Very high95.3Very high0 Ų028.6 Ų28.60%017%0.172CC..Hα-helixtrans-68.4-42.9171.4173.10000111.1F234 A260 E261 L262 V266 M267 F272 F275 V311 A314 V315 R318F234-V264 HydrophobicContact CE1-CG2 4.42Å; F234-V264 HydrophobicContact CZ-CG2 3.95Å; A260-V264 WeakPolarHBondContact O-CG2 3.41Å; A260-V264 PolarHBondContact O-N 2.96Å; A260-V264 VanDerWaalsContact O-N 3.07Å; E261-V264 PolarHBondContact O-N 2.84Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 3.39Å; V264-V266 PolarHBondContact O-N 3.38Å; V264-M267 HydrophobicContact CG2-CE 4.47Å; V264-M267 VanDerWaalsContact O-CB 3.28Å; V264-M267 WeakPolarHBondContact O-CB 3.35Å; V264-M267 PolarHBondContact O-N 3.03Å; V264-F272 HydrophobicContact CG1-CD2 4.42Å; V264-F272 HydrophobicContact CG1-CE2 4.04Å; V264-F275 HydrophobicContact CG2-CE1 3.72Å; V264-F275 HydrophobicContact CG2-CZ 4.06Å; V264-V311 HydrophobicContact CG2-CG1 3.86Å; V264-A314 HydrophobicContact CB-CB 4.07Å; V264-A314 HydrophobicContact CG1-CB 3.96Å; V264-V315 HydrophobicContact CG1-CG2 3.8Å; V264-R318 HydrophobicContact CG1-CG 4.31Å
265E95.7Very high95.4Very high30 Ų3024.5 Ų24.514%0.1415%0.145CC..Hα-helixtrans-62.3-39.1-179.2-68.8-166.2175.500113.2S163 E261 L262 A314 R317 R318S163-E265 WeakPolarHBondContact CB-OE2 3.31Å; S163-E265 PolarHBondContact N-OE2 3.48Å; S163-E265 PolarHBondContact OG-OE2 3.12Å; E261-E265 PolarHBondContact O-N 3.07Å; E261-E265 VanDerWaalsContact O-N 3.1Å; L262-E265 PolarHBondContact O-N 3.15Å; L262-E265 VanDerWaalsContact O-N 3.09Å; E265-A314 HydrophobicContact CG-CB 3.97Å; E265-R317 IonicContact OE1-CZ 2.88Å; E265-R317 IonicContact OE1-NE 3.96Å; E265-R317 PolarHBondContact OE1-NE 3.03Å; E265-R317 IonicContact OE1-NH2 2.84Å; E265-R317 PolarHBondContact OE1-NH2 3.4Å; E265-R318 VanDerWaalsContact O-CD 3.32Å; E265-R318 WeakPolarHBondContact O-CD 3.4Å; E265-R318 PolarHBondContact O-NE 2.64Å
266V95.8Very high95.5Very high22 Ų2223 Ų2313%0.13314%0.136CC..THydrogen-bonded Turntrans-92.87.4178.4-55.50000114.1L209 L210 F220 F224 L262 V264 P268L209-V266 HydrophobicContact CD1-CG2 4.27Å; L209-V266 HydrophobicContact CD2-CG2 4.04Å; L209-V266 HydrophobicContact CG-CG2 4Å; L210-V266 HydrophobicContact CD2-CG1 3.68Å; F220-V266 HydrophobicContact CE1-CB 4.4Å; F220-V266 HydrophobicContact CE1-CG2 4Å; F220-V266 HydrophobicContact CZ-CG2 3.7Å; F224-V266 HydrophobicContact CE2-CG2 4.43Å; L262-V266 WeakPolarHBondContact O-CG2 3.5Å; L262-V266 PolarHBondContact O-N 3.25Å; V264-V266 PolarHBondContact O-N 3.38Å; V266-P268 WeakPolarHBondContact O-CD 3.37Å
267M96.5Very high95.4Very high2 Ų226 Ų261%0.0115%0.152CC..  trans-64.1124.4-177.3-175.4166.8-47.900111.4F224 M228 F234 L263 V264 N271 F272 F275 R318F224-M267 HydrophobicContact CD1-CG 4.31Å; F224-M267 HydrophobicContact CE1-CB 4.01Å; F224-M267 HydrophobicContact CE1-CE 3.88Å; F224-M267 HydrophobicContact CE1-CG 3.41Å; F224-M267 VanDerWaalsContact CE1-CG 3.41Å; F224-M267 HydrophobicContact CE1-SD 4Å; F224-M267 HydrophobicContact CE2-CB 4.42Å; F224-M267 VanDerWaalsContact CZ-CA 3.48Å; F224-M267 HydrophobicContact CZ-CB 3.63Å; F224-M267 HydrophobicContact CZ-CE 4.01Å; F224-M267 HydrophobicContact CZ-CG 3.6Å; F224-M267 HydrophobicContact CZ-SD 4.45Å; M228-M267 HydrophobicContact CE-CE 4.31Å; M228-M267 HydrophobicContact SD-CE 4.19Å; F234-M267 HydrophobicContact CE2-CE 4.24Å; L263-M267 WeakPolarHBondContact O-CB 3.5Å; L263-M267 PolarHBondContact O-N 3.34Å; V264-M267 HydrophobicContact CG2-CE 4.47Å; V264-M267 VanDerWaalsContact O-CB 3.28Å; V264-M267 WeakPolarHBondContact O-CB 3.35Å; V264-M267 PolarHBondContact O-N 3.03Å; M267-N271 HydrophobicContact CG-CB 3.73Å; M267-N271 VanDerWaalsContact SD-C 3.53Å; M267-N271 HydrophobicContact SD-CB 4.09Å; M267-F272 HydrophobicContact CB-CB 4.3Å; M267-F272 HydrophobicContact CG-CB 3.91Å; M267-F272 WeakPolarHBondContact SD-CA 3.32Å; M267-F272 HydrophobicContact SD-CB 4.05Å; M267-F272 HydrophobicContact SD-CD2 4.38Å; M267-F272 PolarHBondContact SD-N 3.03Å; M267-F272 VanDerWaalsContact SD-N 3.44Å; M267-F275 HydrophobicContact CE-CB 4.07Å; M267-F275 HydrophobicContact CE-CD1 3.87Å; M267-F275 HydrophobicContact CE-CD2 4.2Å; M267-F275 HydrophobicContact CE-CE1 4.34Å; M267-F275 HydrophobicContact CE-CG 3.77Å; M267-F275 HydrophobicContact SD-CB 3.52Å; M267-F275 VanDerWaalsContact SD-CB 3.52Å; M267-F275 HydrophobicContact SD-CD1 4.12Å; M267-F275 HydrophobicContact SD-CG 3.9Å; M267-R318 PolarHBondContact O-NH2 3.06Å
268P95.6Very high95.3Very high22 Ų2231.1 Ų31.114%0.14318%0.179CC..  trans-54.3142.1175.3-26.534.2000111.9T221 F224 V266 A270 N271 F272T221-P268 HydrophobicContact CG2-CB 4.19Å; T221-P268 HydrophobicContact CG2-CG 4.17Å; F224-P268 HydrophobicContact CB-CG 4.15Å; F224-P268 HydrophobicContact CD1-CG 4.47Å; F224-P268 VanDerWaalsContact CD2-CD 3.46Å; F224-P268 HydrophobicContact CD2-CG 4.15Å; F224-P268 VanDerWaalsContact CG-CD 3.48Å; F224-P268 HydrophobicContact CG-CG 3.98Å; V266-P268 WeakPolarHBondContact O-CD 3.37Å; P268-A270 VanDerWaalsContact C-N 3.33Å; P268-A270 PolarHBondContact O-N 3.27Å; P268-A270 VanDerWaalsContact O-N 3.16Å; P268-N271 HydrophobicContact CB-CB 4.48Å; P268-N271 CarbonylContact O-C 3.4Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 WeakPolarHBondContact O-CB 3.5Å; P268-N271 PolarHBondContact O-N 3.1Å; P268-F272 PolarHBondContact O-N 3.29Å
269G93.7Very high95.1Very high49 Ų4930.6 Ų30.651%0.50518%0.18SC..Hα-helixtrans-54.6-41.3-168.900000115.1N271 F272 A273G269-N271 VanDerWaalsContact C-N 3.34Å; G269-N271 PolarHBondContact O-N 2.85Å; G269-F272 PolarHBondContact O-N 3.22Å; G269-A273 PolarHBondContact O-N 2.97Å
270A92.6Very high95.1Very high72 Ų7230.6 Ų30.660%0.59518%0.18SC*.Hα-helixtrans-67.6-33.5176.900000113P268 K274P268-A270 VanDerWaalsContact C-N 3.33Å; P268-A270 PolarHBondContact O-N 3.27Å; P268-A270 VanDerWaalsContact O-N 3.16Å; A270-K274 WeakPolarHBondContact O-CG 3.5Å; A270-K274 PolarHBondContact O-N 3.14Å
271N94.5Very high95Very high24 Ų2431.6 Ų31.613%0.12819%0.185CC..Hα-helixtrans-71.8-40.2173.3-71.272.8000110.9F224 K225 M267 P268 G269 K274 F275F224-N271 HydrophobicContact CD1-CB 4.1Å; F224-N271 HydrophobicContact CE1-CB 4.32Å; K225-N271 VanDerWaalsContact CG-ND2 3.28Å; K225-N271 WeakPolarHBondContact CG-ND2 3.41Å; M267-N271 HydrophobicContact CG-CB 3.73Å; M267-N271 VanDerWaalsContact SD-C 3.53Å; M267-N271 HydrophobicContact SD-CB 4.09Å; P268-N271 HydrophobicContact CB-CB 4.48Å; P268-N271 CarbonylContact O-C 3.4Å; P268-N271 WeakPolarHBondContact O-CA 3.46Å; P268-N271 WeakPolarHBondContact O-CB 3.5Å; P268-N271 PolarHBondContact O-N 3.1Å; G269-N271 VanDerWaalsContact C-N 3.34Å; G269-N271 PolarHBondContact O-N 2.85Å; N271-K274 PolarHBondContact O-N 2.91Å; N271-F275 WeakPolarHBondContact O-CB 3.46Å; N271-F275 PolarHBondContact O-N 3.36Å
272F96.6Very high94.8Very high9 Ų933 Ų334%0.03920%0.196CC..Hα-helixtrans-62.4-46.2178.5-179.3-99.1000111.9V264 M267 P268 G269 K274 F275 L276 V315 R318 L319V264-F272 HydrophobicContact CG1-CD2 4.42Å; V264-F272 HydrophobicContact CG1-CE2 4.04Å; M267-F272 HydrophobicContact CB-CB 4.3Å; M267-F272 HydrophobicContact CG-CB 3.91Å; M267-F272 WeakPolarHBondContact SD-CA 3.32Å; M267-F272 HydrophobicContact SD-CB 4.05Å; M267-F272 HydrophobicContact SD-CD2 4.38Å; M267-F272 PolarHBondContact SD-N 3.03Å; M267-F272 VanDerWaalsContact SD-N 3.44Å; P268-F272 PolarHBondContact O-N 3.29Å; G269-F272 PolarHBondContact O-N 3.22Å; F272-K274 VanDerWaalsContact C-N 3.27Å; F272-K274 PolarHBondContact O-N 2.9Å; F272-F275 PolarHBondContact O-N 2.95Å; F272-F275 VanDerWaalsContact O-N 3.14Å; F272-L276 HydrophobicContact CE1-CD2 4.47Å; F272-L276 WeakPolarHBondContact O-CB 3.41Å; F272-L276 PolarHBondContact O-N 2.9Å; F272-V315 HydrophobicContact CE2-CG1 4.22Å; F272-V315 HydrophobicContact CZ-CG1 4Å; F272-R318 HydrophobicContact CD2-CB 4.06Å; F272-R318 HydrophobicContact CE1-CB 3.98Å; F272-R318 HydrophobicContact CE2-CB 3.4Å; F272-R318 HydrophobicContact CE2-CG 4.13Å; F272-R318 HydrophobicContact CZ-CB 3.35Å; F272-L319 HydrophobicContact CE1-CD2 4.34Å; F272-L319 HydrophobicContact CZ-CD2 4.45Å
273A94.5Very high94.4Very high21 Ų2139.3 Ų39.317%0.17423%0.225CC..Hα-helixtrans-58.6-39.3176.600000112.5G269 N277G269-A273 PolarHBondContact O-N 2.97Å; A273-N277 PolarHBondContact O-N 3.19Å; A273-N277 PolarHBondContact O-ND2 2.87Å
274K94.3Very high93.8Very high124 Ų12439.8 Ų39.854%0.53923%0.229SC..Hα-helixtrans-71-41175.1-69.4-178.6179.9-172.40112.1A270 N271 F272 N278A270-K274 WeakPolarHBondContact O-CG 3.5Å; A270-K274 PolarHBondContact O-N 3.14Å; N271-K274 PolarHBondContact O-N 2.91Å; F272-K274 VanDerWaalsContact C-N 3.27Å; F272-K274 PolarHBondContact O-N 2.9Å; K274-N278 WeakPolarHBondContact O-CB 3.47Å; K274-N278 PolarHBondContact O-N 3.06Å
275F95.5Very high93.1Very high3 Ų344.3 Ų44.31%0.01326%0.26CS..Hα-helixtrans-62.2-44.6177.1176-108000111.8M228 F234 V264 M267 N271 F272 H279 I280 V315M228-F275 HydrophobicContact CE-CD2 4.01Å; F234-F275 HydrophobicContact CB-CE2 4.03Å; F234-F275 HydrophobicContact CD1-CE2 4Å; F234-F275 HydrophobicContact CD1-CZ 4.13Å; F234-F275 HydrophobicContact CD2-CD2 4.33Å; F234-F275 AromaticContact CD2-CE2 3.71Å; F234-F275 HydrophobicContact CD2-CE2 3.71Å; F234-F275 HydrophobicContact CD2-CZ 4.36Å; F234-F275 HydrophobicContact CE1-CE2 4.32Å; F234-F275 HydrophobicContact CE1-CZ 4.09Å; F234-F275 HydrophobicContact CE2-CE2 4.06Å; F234-F275 HydrophobicContact CE2-CZ 4.33Å; F234-F275 AromaticContact CG-CE2 3.65Å; F234-F275 HydrophobicContact CG-CE2 3.65Å; F234-F275 HydrophobicContact CG-CZ 4.23Å; F234-F275 HydrophobicContact CZ-CE2 4.34Å; F234-F275 HydrophobicContact CZ-CZ 4.19Å; V264-F275 HydrophobicContact CG2-CE1 3.72Å; V264-F275 HydrophobicContact CG2-CZ 4.06Å; M267-F275 HydrophobicContact CE-CB 4.07Å; M267-F275 HydrophobicContact CE-CD1 3.87Å; M267-F275 HydrophobicContact CE-CD2 4.2Å; M267-F275 HydrophobicContact CE-CE1 4.34Å; M267-F275 HydrophobicContact CE-CG 3.77Å; M267-F275 HydrophobicContact SD-CB 3.52Å; M267-F275 VanDerWaalsContact SD-CB 3.52Å; M267-F275 HydrophobicContact SD-CD1 4.12Å; M267-F275 HydrophobicContact SD-CG 3.9Å; N271-F275 WeakPolarHBondContact O-CB 3.46Å; N271-F275 PolarHBondContact O-N 3.36Å; F272-F275 PolarHBondContact O-N 2.95Å; F272-F275 VanDerWaalsContact O-N 3.14Å; F275-H279 HydrophobicContact CD2-CB 4.05Å; F275-H279 HydrophobicContact CE2-CB 4.17Å; F275-H279 VanDerWaalsContact O-CB 3.29Å; F275-H279 WeakPolarHBondContact O-CB 3.28Å; F275-H279 PolarHBondContact O-N 3.29Å; F275-I280 HydrophobicContact CD1-CG1 3.95Å; F275-I280 HydrophobicContact CE1-CD1 3.68Å; F275-I280 HydrophobicContact CE1-CG1 3.53Å; F275-I280 HydrophobicContact CE2-CD1 4.41Å; F275-I280 HydrophobicContact CZ-CD1 3.6Å; F275-I280 HydrophobicContact CZ-CG1 3.86Å; F275-I280 PolarHBondContact O-N 2.92Å; F275-I280 VanDerWaalsContact O-N 3.13Å; F275-V315 HydrophobicContact CE1-CG2 3.96Å
276L96.8Very high92.2Very high0 Ų044 Ų440%026%0.259CS..Iπ-helixtrans-58.2-57.9176.7178.165000111.1F272 I280 L281 V315 L319 D324 F328F272-L276 HydrophobicContact CE1-CD2 4.47Å; F272-L276 WeakPolarHBondContact O-CB 3.41Å; F272-L276 PolarHBondContact O-N 2.9Å; L276-I280 HydrophobicContact CD1-CB 4.31Å; L276-I280 HydrophobicContact CD1-CG2 4.32Å; L276-I280 PolarHBondContact O-N 3.29Å; L276-L281 HydrophobicContact CD1-CD1 4.08Å; L276-L281 HydrophobicContact CD1-CD2 4.48Å; L276-L281 HydrophobicContact CD1-CG 4.01Å; L276-L281 HydrophobicContact CG-CD1 3.98Å; L276-L281 HydrophobicContact CG-CG 4.27Å; L276-L281 WeakPolarHBondContact O-CG 3.46Å; L276-L281 PolarHBondContact O-N 3.12Å; L276-V315 HydrophobicContact CD1-CG1 3.77Å; L276-L319 HydrophobicContact CD1-CD2 4.24Å; L276-L319 HydrophobicContact CD2-CD2 3.58Å; L276-D324 HydrophobicContact CD2-CB 3.73Å; L276-F328 HydrophobicContact CD1-CD2 4.06Å
277N93.6Very high90.6Very high65 Ų6548.2 Ų48.235%0.34829%0.29SS..Iπ-helixtrans-72.8-39.4-172.9-68.2-55.2000113A273A273-N277 PolarHBondContact O-N 3.19Å; A273-N277 PolarHBondContact O-ND2 2.87Å
278N92.4Very high88.9Confident108 Ų10849.8 Ų49.858%0.57830%0.299SS*.Iπ-helixtrans-93.1-14.5-171.2-57.78.2000113.8K274K274-N278 WeakPolarHBondContact O-CB 3.47Å; K274-N278 PolarHBondContact O-N 3.06Å
279H92Very high87Confident72 Ų7254.8 Ų54.833%0.33332%0.324SS..Iπ-helixtrans-126-51.5-178.3-61.9-95.9000112.7F275 S282 L298F275-H279 HydrophobicContact CD2-CB 4.05Å; F275-H279 HydrophobicContact CE2-CB 4.17Å; F275-H279 VanDerWaalsContact O-CB 3.29Å; F275-H279 WeakPolarHBondContact O-CB 3.28Å; F275-H279 PolarHBondContact O-N 3.29Å; H279-S282 PolarHBondContact O-OG 2.9Å; H279-L298 VanDerWaalsContact O-CB 3.3Å; H279-L298 WeakPolarHBondContact O-CB 3.49Å; H279-L298 VanDerWaalsContact O-CD2 3.29Å; H279-L298 WeakPolarHBondContact O-CD2 3.41Å
280I95.1Very high84.9Confident0 Ų058.1 Ų58.10%034%0.339CS..Iπ-helixtrans-74.3-43.7-174.1-61.5-63.1000111.4F275 L276 L298 A299 L302 L312 V315 F328F275-I280 HydrophobicContact CD1-CG1 3.95Å; F275-I280 HydrophobicContact CE1-CD1 3.68Å; F275-I280 HydrophobicContact CE1-CG1 3.53Å; F275-I280 HydrophobicContact CE2-CD1 4.41Å; F275-I280 HydrophobicContact CZ-CD1 3.6Å; F275-I280 HydrophobicContact CZ-CG1 3.86Å; F275-I280 PolarHBondContact O-N 2.92Å; F275-I280 VanDerWaalsContact O-N 3.13Å; L276-I280 HydrophobicContact CD1-CB 4.31Å; L276-I280 HydrophobicContact CD1-CG2 4.32Å; L276-I280 PolarHBondContact O-N 3.29Å; I280-L298 HydrophobicContact CD1-CD2 4.44Å; I280-A299 HydrophobicContact CG2-CB 3.85Å; I280-A299 PolarHBondContact O-N 3.22Å; I280-L302 HydrophobicContact CD1-CD1 3.85Å; I280-L312 HydrophobicContact CG2-CD1 4.2Å; I280-V315 HydrophobicContact CD1-CG2 4.11Å; I280-V315 HydrophobicContact CG1-CG2 4.03Å; I280-V315 HydrophobicContact CG2-CG1 4.34Å; I280-F328 HydrophobicContact CG2-CE2 4.41Å
281L94.5Very high83.1Confident21 Ų2161.7 Ų61.711%0.1135%0.348CS..SBendtrans-91.12.3-178.8-59.6-177.5000113.4L276 F328 V331L276-L281 HydrophobicContact CD1-CD1 4.08Å; L276-L281 HydrophobicContact CD1-CD2 4.48Å; L276-L281 HydrophobicContact CD1-CG 4.01Å; L276-L281 HydrophobicContact CG-CD1 3.98Å; L276-L281 HydrophobicContact CG-CG 4.27Å; L276-L281 WeakPolarHBondContact O-CG 3.46Å; L276-L281 PolarHBondContact O-N 3.12Å; L281-F328 HydrophobicContact CD2-CD2 3.75Å; L281-F328 HydrophobicContact CD2-CE2 4.36Å; L281-V331 HydrophobicContact CB-CG2 4.48Å; L281-V331 HydrophobicContact CD2-CB 3.94Å; L281-V331 HydrophobicContact CD2-CG1 3.86Å; L281-V331 HydrophobicContact CD2-CG2 4.16Å
282S90.6Very high81.3Confident43 Ų4363.7 Ų63.730%0.30136%0.359SS..SBendtrans-73.5139.9177.362.10000111H279 T297 L298H279-S282 PolarHBondContact O-OG 2.9Å; S282-T297 WeakPolarHBondContact O-CA 3.45Å; S282-L298 PolarHBondContact O-N 3.1Å; S282-L298 VanDerWaalsContact O-N 3.1Å
283E88.9Confident79.6Confident138 Ų13868.8 Ų68.865%0.64540%0.396SS*.EExtended strand (participates in β ladder)trans-63.2136.6174.2-58.8-175-179.200111.5P295E283-P295 VanDerWaalsContact CD-CB 3.42Å; E283-P295 HydrophobicContact CG-CB 3.82Å; E283-P295 WeakPolarHBondContact OE1-CB 3.25Å
284C84.9Confident78.6Confident10 Ų1069.5 Ų69.57%0.06840%0.397CS..EExtended strand (participates in β ladder)trans-97.7134.3172.7-70.80000108.6Y247 L286 V296 L298Y247-C284 HydrophobicContact CD1-CB 4.37Å; Y247-C284 VanDerWaalsContact CD1-SG 3.51Å; Y247-C284 HydrophobicContact CD2-CB 3.9Å; Y247-C284 HydrophobicContact CE1-CB 4.09Å; Y247-C284 HydrophobicContact CE2-CB 3.61Å; Y247-C284 HydrophobicContact CG-CB 4.29Å; C284-L286 HydrophobicContact CB-CD1 4.05Å; C284-L286 HydrophobicContact CB-CG 4.12Å; C284-L286 PolarHBondContact O-N 3.34Å; C284-V296 WeakPolarHBondContact CB-O 3.21Å; C284-V296 PolarHBondContact N-O 2.73Å; C284-L298 PolarHBondContact SG-N 2.95Å; C284-L298 VanDerWaalsContact SG-N 3.42Å
285S81.5Confident78.1Confident95 Ų9565.9 Ų65.966%0.66439%0.386SS*.  trans-76.162.2176-51.50000111L243 Y247L243-S285 WeakPolarHBondContact CD1-O 3.33Å; Y247-S285 PolarHBondContact OH-N 3.23Å
286L77.3Confident77.8Confident23 Ų2365.9 Ų65.912%0.1239%0.386CS..  trans-95.9116.3173.5-69.7167.9000108.1L243 V244 Y247 C284 L288 V296 V301 F340L243-L286 HydrophobicContact CB-CD2 3.42Å; L243-L286 VanDerWaalsContact CB-CD2 3.42Å; L243-L286 HydrophobicContact CD1-CD2 4.44Å; V244-L286 HydrophobicContact CG2-CD2 3.96Å; Y247-L286 HydrophobicContact CD2-CD2 4.45Å; Y247-L286 HydrophobicContact CD2-CG 4.43Å; Y247-L286 HydrophobicContact CE2-CG 4.45Å; C284-L286 HydrophobicContact CB-CD1 4.05Å; C284-L286 HydrophobicContact CB-CG 4.12Å; C284-L286 PolarHBondContact O-N 3.34Å; L286-L288 PolarHBondContact O-N 3.35Å; L286-V296 HydrophobicContact CD1-CB 4.31Å; L286-V296 HydrophobicContact CD1-CG1 3.87Å; L286-V301 HydrophobicContact CD1-CG2 3.43Å; L286-V301 VanDerWaalsContact CD1-CG2 3.43Å; L286-F340 HydrophobicContact CD1-CD2 4.46Å; L286-F340 HydrophobicContact CD1-CE2 4.07Å; L286-F340 HydrophobicContact CD1-CZ 4.12Å
287S62.4Low77.7Confident112 Ų11266 Ų6678%0.78339%0.387SS*.  trans-67.2103.9172.963.80000108.8
288L60.2Low77.7Confident35 Ų3563.5 Ų63.518%0.18337%0.374CS..  trans-72.4151.8163-67.4174.2000108.3L286 S290 D292 N294 V296 F340L286-L288 PolarHBondContact O-N 3.35Å; L288-S290 PolarHBondContact O-N 3.1Å; L288-D292 HydrophobicContact CB-CB 4Å; L288-D292 WeakPolarHBondContact CB-O 3.33Å; L288-D292 HydrophobicContact CD1-CB 4.15Å; L288-D292 WeakPolarHBondContact CD1-O 3.42Å; L288-N294 WeakPolarHBondContact CD1-O 3.46Å; L288-V296 HydrophobicContact CD1-CG2 3.59Å; L288-V296 HydrophobicContact CD2-CG2 3.99Å; L288-V296 HydrophobicContact CG-CG2 3.88Å; L288-F340 HydrophobicContact CD2-CD2 4.29Å
289N55.9Low77.9Confident127 Ų12758.4 Ų58.468%0.67935%0.346SS*.  trans-45.7139.5172.6-66.5-18.1000108.9N291 D292N289-N291 PolarHBondContact O-N 3.12Å; N289-D292 PolarHBondContact O-N 3.3Å
290S49.8Very low78Confident118 Ų11855 Ų5583%0.82533%0.33SS*.THydrogen-bonded Turntrans-47.4-10.1-166.4560000117.8L288L288-S290 PolarHBondContact O-N 3.1Å
291N54.2Low77.9Confident147 Ų14755 Ų5579%0.78633%0.331SS*.THydrogen-bonded Turntrans-105.9-8.5-178.2-60.9-7.8000113.7N289N289-N291 PolarHBondContact O-N 3.12Å
292D56.9Low78Confident67 Ų6754 Ų5436%0.35833%0.325SS..  trans-104.677.4178.9-94.4-32.2000110.4L288 N289 N294L288-D292 HydrophobicContact CB-CB 4Å; L288-D292 WeakPolarHBondContact CB-O 3.33Å; L288-D292 HydrophobicContact CD1-CB 4.15Å; L288-D292 WeakPolarHBondContact CD1-O 3.42Å; N289-D292 PolarHBondContact O-N 3.3Å; D292-N294 PolarHBondContact O-N 3.36Å
293S59.6Low78.2Confident115 Ų11552 Ų5280%0.80431%0.311SS*.  trans-71.520.6-177.963.30000115.2
294N73.5Confident78.3Confident36 Ų3646.1 Ų46.119%0.19329%0.286CS..PPolyproline II helixtrans-97.7134.6-175.8-57.8-68.3000110.8L288 D292 K336L288-N294 WeakPolarHBondContact CD1-O 3.46Å; D292-N294 PolarHBondContact O-N 3.36Å; N294-K336 HydrophobicContact CB-CG 4.5Å; N294-K336 WeakPolarHBondContact ND2-CB 3.34Å; N294-K336 VanDerWaalsContact ND2-CD 3.34Å; N294-K336 WeakPolarHBondContact ND2-CD 3.21Å; N294-K336 WeakPolarHBondContact ND2-CG 3.4Å
295P83.9Confident78.6Confident48 Ų4846.1 Ų46.131%0.31229%0.285SS..PPolyproline II helixtrans-64.2138.618026.8-33.5000110.8E283E283-P295 VanDerWaalsContact CD-CB 3.42Å; E283-P295 HydrophobicContact CG-CB 3.82Å; E283-P295 WeakPolarHBondContact OE1-CB 3.25Å
296V90.5Very high79.1Confident3 Ų345.9 Ų45.92%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-100.9126.2170.4-176.70000107.1C284 L286 L288 D300 V301 F340C284-V296 WeakPolarHBondContact CB-O 3.21Å; C284-V296 PolarHBondContact N-O 2.73Å; L286-V296 HydrophobicContact CD1-CB 4.31Å; L286-V296 HydrophobicContact CD1-CG1 3.87Å; L288-V296 HydrophobicContact CD1-CG2 3.59Å; L288-V296 HydrophobicContact CD2-CG2 3.99Å; L288-V296 HydrophobicContact CG-CG2 3.88Å; V296-D300 HydrophobicContact CG1-CB 3.75Å; V296-V301 HydrophobicContact CG1-CG2 3.82Å; V296-F340 HydrophobicContact CG1-CB 3.86Å; V296-F340 HydrophobicContact CG1-CD2 4.05Å; V296-F340 HydrophobicContact CG1-CG 3.99Å; V296-F340 HydrophobicContact CG2-CD2 4.23Å
297T93.9Very high79.8Confident4 Ų447 Ų473%0.02529%0.29CS..EExtended strand (participates in β ladder)trans-96.7167.7176.265.90000112.1S282 A299 D300 V301 V331S282-T297 WeakPolarHBondContact O-CA 3.45Å; T297-A299 PolarHBondContact O-N 3.07Å; T297-D300 PolarHBondContact N-OD2 3.32Å; T297-D300 WeakPolarHBondContact O-CB 3.38Å; T297-D300 PolarHBondContact O-N 3.5Å; T297-D300 PolarHBondContact OG1-N 3.44Å; T297-D300 PolarHBondContact OG1-OD2 3.11Å; T297-V301 PolarHBondContact O-N 3.01Å; T297-V331 HydrophobicContact CG2-CG1 3.4Å; T297-V331 VanDerWaalsContact CG2-CG1 3.4Å
298L94.1Very high81.3Confident12 Ų1241.7 Ų41.76%0.06325%0.252CS..Hα-helixtrans-59.2-35174-176.461.2000111.3Y251 H279 I280 S282 C284 D300 V301 L302Y251-L298 HydrophobicContact CE2-CD2 4.21Å; H279-L298 VanDerWaalsContact O-CB 3.3Å; H279-L298 WeakPolarHBondContact O-CB 3.49Å; H279-L298 VanDerWaalsContact O-CD2 3.29Å; H279-L298 WeakPolarHBondContact O-CD2 3.41Å; I280-L298 HydrophobicContact CD1-CD2 4.44Å; S282-L298 PolarHBondContact O-N 3.1Å; S282-L298 VanDerWaalsContact O-N 3.1Å; C284-L298 PolarHBondContact SG-N 2.95Å; C284-L298 VanDerWaalsContact SG-N 3.42Å; L298-D300 VanDerWaalsContact C-N 3.28Å; L298-D300 PolarHBondContact O-N 2.77Å; L298-V301 PolarHBondContact O-N 2.94Å; L298-L302 HydrophobicContact CD1-CD2 4.42Å; L298-L302 HydrophobicContact CD1-CG 4.16Å; L298-L302 HydrophobicContact CD2-CD1 4.48Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.06Å; L298-L302 WeakPolarHBondContact O-CB 3.36Å; L298-L302 VanDerWaalsContact O-CG 3.23Å; L298-L302 WeakPolarHBondContact O-CG 3.22Å; L298-L302 PolarHBondContact O-N 2.85Å
299A95.7Very high83Confident0 Ų040.1 Ų40.10%025%0.245CC..Hα-helixtrans-55.3-4417300000111.8I280 T297 V301 L302 M303 L312 F328 I332I280-A299 HydrophobicContact CG2-CB 3.85Å; I280-A299 PolarHBondContact O-N 3.22Å; T297-A299 PolarHBondContact O-N 3.07Å; A299-V301 PolarHBondContact O-N 3.43Å; A299-L302 PolarHBondContact O-N 2.78Å; A299-M303 VanDerWaalsContact O-CB 3.29Å; A299-M303 WeakPolarHBondContact O-CB 3.42Å; A299-M303 PolarHBondContact O-N 3.27Å; A299-L312 HydrophobicContact CB-CD1 3.98Å; A299-L312 WeakPolarHBondContact O-CD2 3.42Å; A299-F328 HydrophobicContact CB-CE2 4.45Å; A299-I332 HydrophobicContact CB-CG2 4.39Å
300D94.7Very high84.8Confident0 Ų036 Ų360%022%0.22CC..Hα-helixtrans-66-37.3179.1-60.5-57.5000112.4V296 T297 L298 S304 C335 F340 G341V296-D300 HydrophobicContact CG1-CB 3.75Å; T297-D300 PolarHBondContact N-OD2 3.32Å; T297-D300 WeakPolarHBondContact O-CB 3.38Å; T297-D300 PolarHBondContact O-N 3.5Å; T297-D300 PolarHBondContact OG1-N 3.44Å; T297-D300 PolarHBondContact OG1-OD2 3.11Å; L298-D300 VanDerWaalsContact C-N 3.28Å; L298-D300 PolarHBondContact O-N 2.77Å; D300-S304 PolarHBondContact O-OG 3.18Å; D300-S304 VanDerWaalsContact O-OG 3.07Å; D300-C335 HydrophobicContact CB-CB 4.38Å; D300-C335 VanDerWaalsContact CG-CB 3.47Å; D300-C335 VanDerWaalsContact OD1-CB 3.27Å; D300-C335 WeakPolarHBondContact OD1-CB 3.41Å; D300-F340 HydrophobicContact CB-CB 4.19Å; D300-G341 PolarHBondContact O-N 3.31Å; D300-G341 WeakPolarHBondContact OD1-CA 3.28Å
301V93.8Very high87Confident1 Ų130.4 Ų30.41%0.00618%0.18CC..Hα-helixtrans-71.2-44.9177.5-177.70000111.4V244 L248 L286 V296 T297 L298 A299 M303 S304 F340V244-V301 HydrophobicContact CG1-CG1 4.3Å; L248-V301 HydrophobicContact CD2-CG1 3.77Å; L248-V301 HydrophobicContact CG-CG1 3.86Å; L286-V301 HydrophobicContact CD1-CG2 3.43Å; L286-V301 VanDerWaalsContact CD1-CG2 3.43Å; V296-V301 HydrophobicContact CG1-CG2 3.82Å; T297-V301 PolarHBondContact O-N 3.01Å; L298-V301 PolarHBondContact O-N 2.94Å; A299-V301 PolarHBondContact O-N 3.43Å; V301-M303 VanDerWaalsContact C-N 3.28Å; V301-M303 PolarHBondContact O-N 3.07Å; V301-S304 PolarHBondContact O-N 2.93Å; V301-F340 HydrophobicContact CG2-CD1 4.35Å
302L95.1Very high89.1Confident0 Ų023.4 Ų23.40%014%0.143CC..Hα-helixtrans-62.1-38.3177.6-67.2174.8000111.2L248 Y251 I280 L298 A299 S304 S305 A308 S309 L312L248-L302 HydrophobicContact CD2-CD2 4.29Å; Y251-L302 HydrophobicContact CD1-CD2 3.79Å; Y251-L302 HydrophobicContact CD2-CD2 3.98Å; Y251-L302 HydrophobicContact CE1-CD1 4.4Å; Y251-L302 HydrophobicContact CE1-CD2 4.3Å; Y251-L302 HydrophobicContact CE2-CD2 4.49Å; Y251-L302 HydrophobicContact CG-CD2 3.61Å; I280-L302 HydrophobicContact CD1-CD1 3.85Å; L298-L302 HydrophobicContact CD1-CD2 4.42Å; L298-L302 HydrophobicContact CD1-CG 4.16Å; L298-L302 HydrophobicContact CD2-CD1 4.48Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.06Å; L298-L302 WeakPolarHBondContact O-CB 3.36Å; L298-L302 VanDerWaalsContact O-CG 3.23Å; L298-L302 WeakPolarHBondContact O-CG 3.22Å; L298-L302 PolarHBondContact O-N 2.85Å; A299-L302 PolarHBondContact O-N 2.78Å; L302-S304 PolarHBondContact O-N 3.12Å; L302-S305 PolarHBondContact O-N 2.92Å; L302-A308 HydrophobicContact CD2-CB 3.61Å; L302-S309 WeakPolarHBondContact O-CA 3.37Å; L302-S309 PolarHBondContact O-N 3.4Å; L302-S309 VanDerWaalsContact O-N 3.12Å; L302-L312 HydrophobicContact CB-CB 4.01Å; L302-L312 HydrophobicContact CB-CD2 4.46Å; L302-L312 HydrophobicContact CD1-CB 4.43Å
303M94.7Very high91Very high0 Ų023.3 Ų23.30%014%0.137CC..Hα-helixtrans-59.6-30.6179.5-168.4174.3-59.100113A299 V301 L312 I332 L342 V345 Q350 V353A299-M303 VanDerWaalsContact O-CB 3.29Å; A299-M303 WeakPolarHBondContact O-CB 3.42Å; A299-M303 PolarHBondContact O-N 3.27Å; V301-M303 VanDerWaalsContact C-N 3.28Å; V301-M303 PolarHBondContact O-N 3.07Å; M303-L312 HydrophobicContact CB-CD2 3.62Å; M303-L312 HydrophobicContact CE-CD2 3.85Å; M303-L312 HydrophobicContact CG-CD2 4.14Å; M303-I332 HydrophobicContact CE-CB 4.35Å; M303-I332 HydrophobicContact CE-CG2 4.07Å; M303-L342 HydrophobicContact CE-CD2 3.99Å; M303-L342 HydrophobicContact CE-CG 4.34Å; M303-L342 VanDerWaalsContact SD-CA 3.59Å; M303-L342 HydrophobicContact SD-CB 4.38Å; M303-L342 HydrophobicContact SD-CD2 3.68Å; M303-L342 HydrophobicContact SD-CG 4Å; M303-L342 PolarHBondContact SD-N 2.96Å; M303-V345 HydrophobicContact CG-CG2 3.52Å; M303-V345 HydrophobicContact SD-CG2 3.48Å; M303-V345 WeakPolarHBondContact SD-CG2 3.37Å; M303-Q350 WeakPolarHBondContact O-CG 3.39Å; M303-V353 HydrophobicContact CE-CG1 4.06Å; M303-V353 HydrophobicContact CG-CG1 4.05Å; M303-V353 HydrophobicContact CG-CG2 4.27Å; M303-V353 HydrophobicContact SD-CG1 4.14Å
304S91.2Very high92.7Very high16 Ų1617.8 Ų17.811%0.11210%0.099CC..THydrogen-bonded Turntrans-85.1-7.6-177.3-50.40000114.2D300 V301 L302 K339 F340 S344 N348D300-S304 PolarHBondContact O-OG 3.18Å; D300-S304 VanDerWaalsContact O-OG 3.07Å; V301-S304 PolarHBondContact O-N 2.93Å; L302-S304 PolarHBondContact O-N 3.12Å; S304-K339 PolarHBondContact OG-O 2.81Å; S304-F340 VanDerWaalsContact OG-CA 3.32Å; S304-F340 WeakPolarHBondContact OG-CA 3.25Å; S304-S344 WeakPolarHBondContact CB-OG 3.49Å; S304-S344 WeakPolarHBondContact OG-CB 3.32Å; S304-S344 PolarHBondContact OG-OG 2.9Å; S304-N348 PolarHBondContact O-ND2 2.68Å
305S92.8Very high93.9Very high9 Ų916.1 Ų16.16%0.0639%0.09CC..  trans-103.2131.1-174.3173.10000112.4L302 T307 A308 S309 Q350L302-S305 PolarHBondContact O-N 2.92Å; S305-T307 VanDerWaalsContact C-N 3.26Å; S305-T307 PolarHBondContact O-N 2.83Å; S305-A308 WeakPolarHBondContact OG-CB 3.45Å; S305-A308 PolarHBondContact OG-N 2.86Å; S305-S309 WeakPolarHBondContact O-CB 3.2Å; S305-S309 PolarHBondContact O-N 2.82Å; S305-S309 PolarHBondContact O-OG 3.23Å; S305-Q350 PolarHBondContact O-OE1 3.46Å
306P91.2Very high94.6Very high91 Ų9113.8 Ų13.859%0.5918%0.075SC*.THydrogen-bonded Turntrans-58.7-30176.9-25.534.2000116.4
307T92.2Very high94.8Very high46 Ų4617.2 Ų17.228%0.2829%0.088SC..THydrogen-bonded Turntrans-99.5-40.2-178.847.20000111.6A252 T257 S305A252-T307 VanDerWaalsContact CA-OG1 3.24Å; A252-T307 WeakPolarHBondContact CA-OG1 3.41Å; A252-T307 PolarHBondContact O-OG1 2.8Å; A252-T307 VanDerWaalsContact O-OG1 3.04Å; T257-T307 PolarHBondContact OG1-O 2.99Å; S305-T307 VanDerWaalsContact C-N 3.26Å; S305-T307 PolarHBondContact O-N 2.83Å
308A94.2Very high95Very high0 Ų020.2 Ų20.20%010%0.098CC..THydrogen-bonded Turntrans-78.2-23.8-175.600000113.2L248 L302 S305 R310 V311 L312L248-A308 HydrophobicContact CD2-CB 3.75Å; L302-A308 HydrophobicContact CD2-CB 3.61Å; S305-A308 WeakPolarHBondContact OG-CB 3.45Å; S305-A308 PolarHBondContact OG-N 2.86Å; A308-R310 PolarHBondContact O-N 2.84Å; A308-R310 VanDerWaalsContact O-N 3.13Å; A308-V311 PolarHBondContact O-N 3.28Å; A308-L312 PolarHBondContact O-N 3.24Å
309S95.4Very high95.1Very high3 Ų319.6 Ų19.62%0.02110%0.095CC..Hα-helixtrans-58.2-27.617669.70000112.3L302 S305 V311 L312 R313 Q350L302-S309 WeakPolarHBondContact O-CA 3.37Å; L302-S309 PolarHBondContact O-N 3.4Å; L302-S309 VanDerWaalsContact O-N 3.12Å; S305-S309 WeakPolarHBondContact O-CB 3.2Å; S305-S309 PolarHBondContact O-N 2.82Å; S305-S309 PolarHBondContact O-OG 3.23Å; S309-V311 VanDerWaalsContact C-N 3.26Å; S309-V311 PolarHBondContact O-N 3.23Å; S309-L312 PolarHBondContact O-N 3.42Å; S309-R313 VanDerWaalsContact O-CB 3.31Å; S309-R313 WeakPolarHBondContact O-CB 3.42Å; S309-R313 VanDerWaalsContact O-CG 3.22Å; S309-R313 WeakPolarHBondContact O-CG 3.38Å; S309-R313 PolarHBondContact O-N 3.19Å; S309-Q350 PolarHBondContact OG-OE1 3.16Å
310R94.2Very high95.1Very high41 Ų4123.6 Ų23.616%0.15512%0.12CC..Hα-helixtrans-56.9-39.9174.3-62.5-171.668.4105.79112.5E261 A308 R313 A314E261-R310 IonicContact OE1-NH2 3.27Å; E261-R310 IonicContact OE2-CZ 3.6Å; E261-R310 IonicContact OE2-NE 3.47Å; E261-R310 PolarHBondContact OE2-NE 3.2Å; E261-R310 IonicContact OE2-NH2 3.36Å; E261-R310 PolarHBondContact OE2-NH2 2.94Å; A308-R310 PolarHBondContact O-N 2.84Å; A308-R310 VanDerWaalsContact O-N 3.13Å; R310-R313 WeakPolarHBondContact O-CB 3.37Å; R310-R313 PolarHBondContact O-N 3.41Å; R310-A314 PolarHBondContact O-N 2.79Å
311V95.9Very high95.1Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-71.9-40.9179.2-1740000110.5F234 Y251 A260 V264 A308 S309 R313 A314 V315F234-V311 HydrophobicContact CE1-CG1 4.4Å; Y251-V311 HydrophobicContact CD1-CB 3.94Å; Y251-V311 HydrophobicContact CD1-CG1 3.82Å; Y251-V311 HydrophobicContact CD1-CG2 3.98Å; Y251-V311 HydrophobicContact CE1-CB 4.4Å; Y251-V311 HydrophobicContact CE1-CG1 3.79Å; A260-V311 HydrophobicContact CB-CG1 4.46Å; A260-V311 HydrophobicContact CB-CG2 3.66Å; V264-V311 HydrophobicContact CG2-CG1 3.86Å; A308-V311 PolarHBondContact O-N 3.28Å; S309-V311 VanDerWaalsContact C-N 3.26Å; S309-V311 PolarHBondContact O-N 3.23Å; V311-R313 VanDerWaalsContact C-N 3.3Å; V311-R313 PolarHBondContact O-N 3.25Å; V311-A314 WeakPolarHBondContact O-CB 3.39Å; V311-A314 PolarHBondContact O-N 3.47Å; V311-V315 WeakPolarHBondContact O-CG2 3.49Å; V311-V315 PolarHBondContact O-N 3.35Å
312L97.1Very high95.1Very high0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-60.9-41.1172.8-178.565.2000111.8I280 A299 L302 M303 A308 S309 A314 V315 I316 F328I280-L312 HydrophobicContact CG2-CD1 4.2Å; A299-L312 HydrophobicContact CB-CD1 3.98Å; A299-L312 WeakPolarHBondContact O-CD2 3.42Å; L302-L312 HydrophobicContact CB-CB 4.01Å; L302-L312 HydrophobicContact CB-CD2 4.46Å; L302-L312 HydrophobicContact CD1-CB 4.43Å; M303-L312 HydrophobicContact CB-CD2 3.62Å; M303-L312 HydrophobicContact CE-CD2 3.85Å; M303-L312 HydrophobicContact CG-CD2 4.14Å; A308-L312 PolarHBondContact O-N 3.24Å; S309-L312 PolarHBondContact O-N 3.42Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 3.45Å; L312-V315 CarbonylContact O-C 3.47Å; L312-V315 WeakPolarHBondContact O-CA 3.44Å; L312-V315 VanDerWaalsContact O-CB 3.27Å; L312-V315 WeakPolarHBondContact O-CB 3.49Å; L312-V315 PolarHBondContact O-N 3.04Å; L312-I316 HydrophobicContact CG-CD1 4.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.13Å; L312-I316 PolarHBondContact O-N 3.41Å; L312-F328 HydrophobicContact CD1-CE2 3.94Å; L312-F328 HydrophobicContact CD1-CZ 3.9Å
313R96.6Very high95Very high64 Ų6439.2 Ų39.224%0.24221%0.206CC..Hα-helixtrans-59.8-41.4174.7-79-179.167.3-156-0.8112.2S309 R310 V311 V315 I316 R317 G352 V353 D356S309-R313 VanDerWaalsContact O-CB 3.31Å; S309-R313 WeakPolarHBondContact O-CB 3.42Å; S309-R313 VanDerWaalsContact O-CG 3.22Å; S309-R313 WeakPolarHBondContact O-CG 3.38Å; S309-R313 PolarHBondContact O-N 3.19Å; R310-R313 WeakPolarHBondContact O-CB 3.37Å; R310-R313 PolarHBondContact O-N 3.41Å; V311-R313 VanDerWaalsContact C-N 3.3Å; V311-R313 PolarHBondContact O-N 3.25Å; R313-V315 VanDerWaalsContact C-N 3.32Å; R313-V315 PolarHBondContact O-N 3.28Å; R313-I316 PolarHBondContact O-N 2.95Å; R313-R317 WeakPolarHBondContact O-CG 3.41Å; R313-R317 PolarHBondContact O-N 3.27Å; R313-G352 PolarHBondContact NE-O 3.46Å; R313-V353 HydrophobicContact CG-CG2 4.02Å; R313-D356 WeakPolarHBondContact CB-OD2 3.31Å; R313-D356 WeakPolarHBondContact CG-OD2 3.28Å; R313-D356 IonicContact CZ-OD2 3.48Å; R313-D356 IonicContact NE-OD1 3.23Å; R313-D356 IonicContact NE-OD2 3.59Å; R313-D356 PolarHBondContact NE-OD2 2.96Å; R313-D356 IonicContact NH2-OD1 3.85Å; R313-D356 PolarHBondContact NH2-OD1 2.9Å; R313-D356 IonicContact NH2-OD2 2.79Å; R313-D356 PolarHBondContact NH2-OD2 2.9Å
314A96.4Very high95.1Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-62-37.3170.100000112.8E261 V264 E265 R310 V311 L312 R317 R318E261-A314 HydrophobicContact CG-CB 3.87Å; V264-A314 HydrophobicContact CB-CB 4.07Å; V264-A314 HydrophobicContact CG1-CB 3.96Å; E265-A314 HydrophobicContact CG-CB 3.97Å; R310-A314 PolarHBondContact O-N 2.79Å; V311-A314 WeakPolarHBondContact O-CB 3.39Å; V311-A314 PolarHBondContact O-N 3.47Å; L312-A314 VanDerWaalsContact C-N 3.34Å; L312-A314 PolarHBondContact O-N 3.45Å; A314-R317 PolarHBondContact O-N 2.86Å; A314-R318 WeakPolarHBondContact O-CB 3.36Å; A314-R318 VanDerWaalsContact O-CG 3.26Å; A314-R318 WeakPolarHBondContact O-CG 3.4Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.09Å
315V98Very high95.3Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-60.9-48.1172.8176.70000110.6V264 F272 F275 L276 I280 V311 L312 R313 R317 R318 L319 F328V264-V315 HydrophobicContact CG1-CG2 3.8Å; F272-V315 HydrophobicContact CE2-CG1 4.22Å; F272-V315 HydrophobicContact CZ-CG1 4Å; F275-V315 HydrophobicContact CE1-CG2 3.96Å; L276-V315 HydrophobicContact CD1-CG1 3.77Å; I280-V315 HydrophobicContact CD1-CG2 4.11Å; I280-V315 HydrophobicContact CG1-CG2 4.03Å; I280-V315 HydrophobicContact CG2-CG1 4.34Å; V311-V315 WeakPolarHBondContact O-CG2 3.49Å; V311-V315 PolarHBondContact O-N 3.35Å; L312-V315 CarbonylContact O-C 3.47Å; L312-V315 WeakPolarHBondContact O-CA 3.44Å; L312-V315 VanDerWaalsContact O-CB 3.27Å; L312-V315 WeakPolarHBondContact O-CB 3.49Å; L312-V315 PolarHBondContact O-N 3.04Å; R313-V315 VanDerWaalsContact C-N 3.32Å; R313-V315 PolarHBondContact O-N 3.28Å; V315-R317 VanDerWaalsContact C-N 3.32Å; V315-R317 PolarHBondContact O-N 3.02Å; V315-R318 WeakPolarHBondContact O-CA 3.45Å; V315-R318 PolarHBondContact O-N 3.13Å; V315-L319 PolarHBondContact O-N 3.45Å; V315-L319 VanDerWaalsContact O-N 3.14Å; V315-F328 HydrophobicContact CG1-CE2 4.45Å
316I98.1Very high95.4Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-58.8-43178.6-65.5164.2000111.2L312 R313 R318 L319 F328 V353 D356 L357 L360 R363L312-I316 HydrophobicContact CG-CD1 4.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.13Å; L312-I316 PolarHBondContact O-N 3.41Å; R313-I316 PolarHBondContact O-N 2.95Å; I316-R318 PolarHBondContact O-N 3.49Å; I316-L319 PolarHBondContact O-N 2.72Å; I316-F328 HydrophobicContact CD1-CE1 4.44Å; I316-F328 HydrophobicContact CD1-CZ 4.26Å; I316-F328 HydrophobicContact CG1-CE1 3.92Å; I316-F328 HydrophobicContact CG1-CZ 3.73Å; I316-V353 HydrophobicContact CD1-CG1 4.06Å; I316-D356 HydrophobicContact CB-CB 4.41Å; I316-D356 HydrophobicContact CG2-CB 3.92Å; I316-D356 WeakPolarHBondContact CG2-O 3.48Å; I316-L357 HydrophobicContact CD1-CD2 4.04Å; I316-L357 HydrophobicContact CD1-CG 4.14Å; I316-L357 HydrophobicContact CG1-CD2 4.3Å; I316-L357 HydrophobicContact CG2-CD2 4.16Å; I316-L360 HydrophobicContact CG2-CB 4.13Å; I316-L360 HydrophobicContact CG2-CD2 4.02Å; I316-R363 PolarHBondContact O-NH2 2.8Å; I316-R363 VanDerWaalsContact O-NH2 3.17Å
317R96.5Very high95.6Very high74 Ų7443.3 Ų43.328%0.27922%0.216SC..Hα-helixtrans-64.5-27.4176-69.4-171.5-60.6-939.8113.2E261 E265 R313 A314 V315 D356E261-R317 IonicContact OE1-CZ 3.54Å; E261-R317 IonicContact OE1-NH2 2.93Å; E261-R317 PolarHBondContact OE1-NH2 3.01Å; E265-R317 IonicContact OE1-CZ 2.88Å; E265-R317 IonicContact OE1-NE 3.96Å; E265-R317 PolarHBondContact OE1-NE 3.03Å; E265-R317 IonicContact OE1-NH2 2.84Å; E265-R317 PolarHBondContact OE1-NH2 3.4Å; R313-R317 WeakPolarHBondContact O-CG 3.41Å; R313-R317 PolarHBondContact O-N 3.27Å; A314-R317 PolarHBondContact O-N 2.86Å; V315-R317 VanDerWaalsContact C-N 3.32Å; V315-R317 PolarHBondContact O-N 3.02Å; R317-D356 IonicContact NH1-OD2 2.86Å; R317-D356 PolarHBondContact NH1-OD2 3.35Å
318R96.5Very high95.8Very high67 Ų6741.1 Ų41.125%0.25320%0.202SC..Hα-helixtrans-87.1-11.6179.1-73.9-73-68.7133.3-0.2114.6V264 E265 M267 F272 A314 V315 I316 V320V264-R318 HydrophobicContact CG1-CG 4.31Å; E265-R318 VanDerWaalsContact O-CD 3.32Å; E265-R318 WeakPolarHBondContact O-CD 3.4Å; E265-R318 PolarHBondContact O-NE 2.64Å; M267-R318 PolarHBondContact O-NH2 3.06Å; F272-R318 HydrophobicContact CD2-CB 4.06Å; F272-R318 HydrophobicContact CE1-CB 3.98Å; F272-R318 HydrophobicContact CE2-CB 3.4Å; F272-R318 HydrophobicContact CE2-CG 4.13Å; F272-R318 HydrophobicContact CZ-CB 3.35Å; A314-R318 WeakPolarHBondContact O-CB 3.36Å; A314-R318 VanDerWaalsContact O-CG 3.26Å; A314-R318 WeakPolarHBondContact O-CG 3.4Å; A314-R318 PolarHBondContact O-N 3Å; A314-R318 VanDerWaalsContact O-N 3.09Å; V315-R318 WeakPolarHBondContact O-CA 3.45Å; V315-R318 PolarHBondContact O-N 3.13Å; I316-R318 PolarHBondContact O-N 3.49Å; R318-V320 PolarHBondContact O-N 3.33Å
319L97.3Very high95.9Very high0 Ų041.3 Ų41.30%020%0.203CC..  trans-66.3125.6174.9-68.9172.7000110.5F272 L276 V315 I316 D324 I325 F328 L360 R363 H364F272-L319 HydrophobicContact CE1-CD2 4.34Å; F272-L319 HydrophobicContact CZ-CD2 4.45Å; L276-L319 HydrophobicContact CD1-CD2 4.24Å; L276-L319 HydrophobicContact CD2-CD2 3.58Å; V315-L319 PolarHBondContact O-N 3.45Å; V315-L319 VanDerWaalsContact O-N 3.14Å; I316-L319 PolarHBondContact O-N 2.72Å; L319-D324 HydrophobicContact CD2-CB 4.09Å; L319-I325 HydrophobicContact CB-CG1 3.86Å; L319-F328 HydrophobicContact CD1-CB 3.93Å; L319-F328 HydrophobicContact CD1-CD1 3.84Å; L319-F328 HydrophobicContact CD1-CD2 4.1Å; L319-F328 HydrophobicContact CD1-CE1 4.39Å; L319-F328 HydrophobicContact CD1-CG 3.68Å; L319-L360 HydrophobicContact CB-CD1 3.95Å; L319-L360 HydrophobicContact CB-CD2 4.27Å; L319-L360 HydrophobicContact CD1-CD2 3.8Å; L319-R363 PolarHBondContact O-NH1 3.18Å; L319-H364 PolarHBondContact O-NE2 3.22Å
320V94.9Very high95.9Very high84 Ų8445.2 Ų45.251%0.50923%0.227SC..  trans-135.1-41.7-178.4176.50000112R318 H364R318-V320 PolarHBondContact O-N 3.33Å; V320-H364 PolarHBondContact O-CE1 3.22Å; V320-H364 VanDerWaalsContact O-CE1 3.27Å; V320-H364 PolarHBondContact O-ND1 3.23Å
321K94.3Very high95.8Very high125 Ų12544.7 Ų44.754%0.54323%0.228SC..SBendtrans-73.9131.2-177.2-63.7-174.3-178.6178.30110.4V323 D324 I325K321-V323 VanDerWaalsContact C-N 3.26Å; K321-V323 PolarHBondContact O-N 3.28Å; K321-D324 HydrophobicContact CB-CB 4.18Å; K321-D324 WeakPolarHBondContact CB-OD2 3.41Å; K321-D324 WeakPolarHBondContact CD-OD2 3.45Å; K321-D324 PolarHBondContact O-N 3.02Å; K321-D324 VanDerWaalsContact O-N 3.1Å; K321-I325 WeakPolarHBondContact O-CG1 3.19Å; K321-I325 PolarHBondContact O-N 3.43Å
322P94.2Very high95.8Very high104 Ų10444.7 Ų44.768%0.67523%0.228SC*.Hα-helixtrans-54-39.4179.4-29.435.8000114.3I325 K326P322-I325 PolarHBondContact O-N 3.16Å; P322-K326 WeakPolarHBondContact O-CB 3.33Å; P322-K326 PolarHBondContact O-N 3.4Å
323V94.1Very high95.5Very high99 Ų9949.7 Ų49.760%0.625%0.252SS*.Hα-helixtrans-63.9-46.2178-179.90000111.4K321 I325 K326 N327K321-V323 VanDerWaalsContact C-N 3.26Å; K321-V323 PolarHBondContact O-N 3.28Å; V323-I325 VanDerWaalsContact C-N 3.32Å; V323-I325 PolarHBondContact O-N 3.08Å; V323-K326 PolarHBondContact O-N 3.26Å; V323-N327 WeakPolarHBondContact O-CB 3.4Å; V323-N327 VanDerWaalsContact O-CG 3.25Å; V323-N327 PolarHBondContact O-N 3.4Å; V323-N327 PolarHBondContact O-OD1 3.08Å
324D95.5Very high95.2Very high18 Ų1848.9 Ų48.910%0.09626%0.256CS..Hα-helixtrans-64.2-39.4178.6-66.9-24.6000111L276 L319 K321 F328L276-D324 HydrophobicContact CD2-CB 3.73Å; L319-D324 HydrophobicContact CD2-CB 4.09Å; K321-D324 HydrophobicContact CB-CB 4.18Å; K321-D324 WeakPolarHBondContact CB-OD2 3.41Å; K321-D324 WeakPolarHBondContact CD-OD2 3.45Å; K321-D324 PolarHBondContact O-N 3.02Å; K321-D324 VanDerWaalsContact O-N 3.1Å; D324-F328 VanDerWaalsContact O-CB 3.28Å; D324-F328 WeakPolarHBondContact O-CB 3.43Å; D324-F328 PolarHBondContact O-N 3.23Å
325I96.8Very high94.9Very high7 Ų749.3 Ų49.34%0.03626%0.258CS..Hα-helixtrans-63.2-49.7175.9-65.9165.2000110.5L319 K321 P322 V323 N327 F328 F329 L360 H364 L369L319-I325 HydrophobicContact CB-CG1 3.86Å; K321-I325 WeakPolarHBondContact O-CG1 3.19Å; K321-I325 PolarHBondContact O-N 3.43Å; P322-I325 PolarHBondContact O-N 3.16Å; V323-I325 VanDerWaalsContact C-N 3.32Å; V323-I325 PolarHBondContact O-N 3.08Å; I325-N327 PolarHBondContact O-N 3.17Å; I325-F328 PolarHBondContact O-N 2.92Å; I325-F329 HydrophobicContact CG2-CD2 4.03Å; I325-F329 HydrophobicContact CG2-CE2 4.16Å; I325-F329 WeakPolarHBondContact O-CD2 3.44Å; I325-F329 PolarHBondContact O-N 3.36Å; I325-L360 HydrophobicContact CD1-CD1 4.12Å; I325-L360 HydrophobicContact CG1-CD1 4.27Å; I325-L360 HydrophobicContact CG2-CD2 4.37Å; I325-H364 HydrophobicContact CD1-CB 4.07Å; I325-L369 HydrophobicContact CG2-CD1 3.66Å; I325-L369 HydrophobicContact CG2-CD2 3.8Å; I325-L369 HydrophobicContact CG2-CG 4.4Å
326K95.1Very high94.3Very high109 Ų10954.4 Ų54.447%0.47428%0.281SS..Hα-helixtrans-60.5-44.7179.6-178.8167.4179.2146.80111.7P322 V323 F329 T330 E368P322-K326 WeakPolarHBondContact O-CB 3.33Å; P322-K326 PolarHBondContact O-N 3.4Å; V323-K326 PolarHBondContact O-N 3.26Å; K326-F329 PolarHBondContact O-N 3.31Å; K326-T330 WeakPolarHBondContact O-CB 3.46Å; K326-T330 PolarHBondContact O-N 3.05Å; K326-T330 PolarHBondContact O-OG1 3.37Å; K326-E368 IonicContact NZ-OE1 2.79Å; K326-E368 PolarHBondContact NZ-OE1 3.23Å; K326-E368 IonicContact NZ-OE2 3.97Å
327N94.7Very high93.7Very high68 Ų6854.6 Ų54.636%0.36428%0.282SS..Hα-helixtrans-62.4-45.9176.6-71.8-3000111.3V323 I325 F329 T330 V331V323-N327 WeakPolarHBondContact O-CB 3.4Å; V323-N327 VanDerWaalsContact O-CG 3.25Å; V323-N327 PolarHBondContact O-N 3.4Å; V323-N327 PolarHBondContact O-OD1 3.08Å; I325-N327 PolarHBondContact O-N 3.17Å; N327-F329 PolarHBondContact O-N 3.29Å; N327-T330 PolarHBondContact O-N 3.4Å; N327-V331 WeakPolarHBondContact O-CG2 3.25Å; N327-V331 PolarHBondContact O-N 3.43Å
328F97Very high93.1Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-58.5-47.4177.7-176.2-89.9000112L276 I280 L281 A299 L312 V315 I316 L319 D324 I325 T330 V331 I332 L357L276-F328 HydrophobicContact CD1-CD2 4.06Å; I280-F328 HydrophobicContact CG2-CE2 4.41Å; L281-F328 HydrophobicContact CD2-CD2 3.75Å; L281-F328 HydrophobicContact CD2-CE2 4.36Å; A299-F328 HydrophobicContact CB-CE2 4.45Å; L312-F328 HydrophobicContact CD1-CE2 3.94Å; L312-F328 HydrophobicContact CD1-CZ 3.9Å; V315-F328 HydrophobicContact CG1-CE2 4.45Å; I316-F328 HydrophobicContact CD1-CE1 4.44Å; I316-F328 HydrophobicContact CD1-CZ 4.26Å; I316-F328 HydrophobicContact CG1-CE1 3.92Å; I316-F328 HydrophobicContact CG1-CZ 3.73Å; L319-F328 HydrophobicContact CD1-CB 3.93Å; L319-F328 HydrophobicContact CD1-CD1 3.84Å; L319-F328 HydrophobicContact CD1-CD2 4.1Å; L319-F328 HydrophobicContact CD1-CE1 4.39Å; L319-F328 HydrophobicContact CD1-CG 3.68Å; D324-F328 VanDerWaalsContact O-CB 3.28Å; D324-F328 WeakPolarHBondContact O-CB 3.43Å; D324-F328 PolarHBondContact O-N 3.23Å; I325-F328 PolarHBondContact O-N 2.92Å; F328-T330 PolarHBondContact O-N 2.77Å; F328-V331 PolarHBondContact O-N 3.07Å; F328-I332 HydrophobicContact CD1-CD1 4.12Å; F328-I332 HydrophobicContact CD1-CG2 4.32Å; F328-I332 HydrophobicContact CE1-CD1 3.83Å; F328-I332 HydrophobicContact CE1-CG2 3.91Å; F328-I332 HydrophobicContact CE2-CG2 4.41Å; F328-I332 HydrophobicContact CZ-CG2 3.95Å; F328-I332 WeakPolarHBondContact O-CG1 3.11Å; F328-I332 PolarHBondContact O-N 3.28Å; F328-L357 HydrophobicContact CE1-CD2 4.02Å
329F95.9Very high92.7Very high5 Ų560.2 Ų60.22%0.02232%0.316CS..Hα-helixtrans-61.7-42176.8-92-104.5000112.6I325 K326 N327 V331 I332 Q333 L357 L360 L369 T372 F373 M376I325-F329 HydrophobicContact CG2-CD2 4.03Å; I325-F329 HydrophobicContact CG2-CE2 4.16Å; I325-F329 WeakPolarHBondContact O-CD2 3.44Å; I325-F329 PolarHBondContact O-N 3.36Å; K326-F329 PolarHBondContact O-N 3.31Å; N327-F329 PolarHBondContact O-N 3.29Å; F329-V331 VanDerWaalsContact C-N 3.33Å; F329-V331 PolarHBondContact O-N 3.38Å; F329-I332 WeakPolarHBondContact O-CG1 3.46Å; F329-Q333 WeakPolarHBondContact O-CB 3.34Å; F329-Q333 PolarHBondContact O-N 3.14Å; F329-Q333 VanDerWaalsContact O-N 3.09Å; F329-L357 HydrophobicContact CE2-CD2 4.11Å; F329-L357 HydrophobicContact CZ-CD2 4Å; F329-L360 HydrophobicContact CE2-CD2 3.83Å; F329-L369 HydrophobicContact CD1-CD1 4.08Å; F329-L369 HydrophobicContact CD2-CD1 3.72Å; F329-L369 HydrophobicContact CE1-CD1 3.96Å; F329-L369 HydrophobicContact CE2-CD1 3.58Å; F329-L369 HydrophobicContact CG-CD1 3.96Å; F329-L369 HydrophobicContact CZ-CD1 3.71Å; F329-T372 HydrophobicContact CD1-CG2 4.2Å; F329-F373 HydrophobicContact CE1-CB 3.91Å; F329-F373 AromaticContact CE1-CD2 3.97Å; F329-F373 HydrophobicContact CE1-CD2 3.97Å; F329-F373 HydrophobicContact CE1-CG 4.35Å; F329-F373 HydrophobicContact CZ-CD2 4.37Å; F329-M376 HydrophobicContact CD1-CE 3.47Å; F329-M376 VanDerWaalsContact CD1-CE 3.47Å; F329-M376 HydrophobicContact CE1-CE 3.49Å; F329-M376 VanDerWaalsContact CE1-CE 3.49Å
330T94.2Very high92.4Very high84 Ų8461.3 Ų61.352%0.51532%0.32SS..Hα-helixtrans-60.2-44.6177.6-56.40000111K326 N327 F328 S334K326-T330 WeakPolarHBondContact O-CB 3.46Å; K326-T330 PolarHBondContact O-N 3.05Å; K326-T330 PolarHBondContact O-OG1 3.37Å; N327-T330 PolarHBondContact O-N 3.4Å; F328-T330 PolarHBondContact O-N 2.77Å; T330-S334 PolarHBondContact O-N 2.84Å
331V93.6Very high92.3Very high31 Ų3157.3 Ų57.319%0.18830%0.296CS..Hα-helixtrans-65.7-53.4-179.7170.90000111.6L281 T297 N327 F328 F329 Q333 S334L281-V331 HydrophobicContact CB-CG2 4.48Å; L281-V331 HydrophobicContact CD2-CB 3.94Å; L281-V331 HydrophobicContact CD2-CG1 3.86Å; L281-V331 HydrophobicContact CD2-CG2 4.16Å; T297-V331 HydrophobicContact CG2-CG1 3.4Å; T297-V331 VanDerWaalsContact CG2-CG1 3.4Å; N327-V331 WeakPolarHBondContact O-CG2 3.25Å; N327-V331 PolarHBondContact O-N 3.43Å; F328-V331 PolarHBondContact O-N 3.07Å; F329-V331 VanDerWaalsContact C-N 3.33Å; F329-V331 PolarHBondContact O-N 3.38Å; V331-Q333 PolarHBondContact O-N 3.23Å; V331-S334 WeakPolarHBondContact O-CB 3.35Å; V331-S334 PolarHBondContact O-N 3.4Å; V331-S334 PolarHBondContact O-OG 3.44Å
332I94.2Very high92.2Very high0 Ų051.8 Ų51.80%027%0.273CS..Hα-helixtrans-65.1-26.2-177.566.6177.9000112.9A299 M303 F328 F329 L342 L357A299-I332 HydrophobicContact CB-CG2 4.39Å; M303-I332 HydrophobicContact CE-CB 4.35Å; M303-I332 HydrophobicContact CE-CG2 4.07Å; F328-I332 HydrophobicContact CD1-CD1 4.12Å; F328-I332 HydrophobicContact CD1-CG2 4.32Å; F328-I332 HydrophobicContact CE1-CD1 3.83Å; F328-I332 HydrophobicContact CE1-CG2 3.91Å; F328-I332 HydrophobicContact CE2-CG2 4.41Å; F328-I332 HydrophobicContact CZ-CG2 3.95Å; F328-I332 WeakPolarHBondContact O-CG1 3.11Å; F328-I332 PolarHBondContact O-N 3.28Å; F329-I332 WeakPolarHBondContact O-CG1 3.46Å; I332-L342 HydrophobicContact CB-CD1 4.36Å; I332-L342 HydrophobicContact CB-CG 4.45Å; I332-L342 HydrophobicContact CD1-CD1 4.17Å; I332-L342 HydrophobicContact CD1-CD2 4.36Å; I332-L342 HydrophobicContact CG1-CD1 4.03Å; I332-L357 HydrophobicContact CD1-CD1 4.26Å; I332-L357 HydrophobicContact CD1-CD2 4.25Å
333Q92.3Very high92.1Very high105 Ų10551.3 Ų51.349%0.49126%0.258SS..Hα-helixtrans-75.7-27.5176.2-174.4178.8-6.100112.1F329 V331 C335 M376F329-Q333 WeakPolarHBondContact O-CB 3.34Å; F329-Q333 PolarHBondContact O-N 3.14Å; F329-Q333 VanDerWaalsContact O-N 3.09Å; V331-Q333 PolarHBondContact O-N 3.23Å; Q333-C335 VanDerWaalsContact C-N 3.3Å; Q333-C335 PolarHBondContact O-N 3.34Å; Q333-M376 HydrophobicContact CB-SD 3.88Å; Q333-M376 HydrophobicContact CG-CG 4.28Å; Q333-M376 HydrophobicContact CG-SD 4.04Å
334S90.2Very high92.1Very high46 Ų4646.7 Ų46.732%0.32223%0.23SC..Hα-helixtrans-71-25.4-177.774.60000113.3T330 V331 K336T330-S334 PolarHBondContact O-N 2.84Å; V331-S334 WeakPolarHBondContact O-CB 3.35Å; V331-S334 PolarHBondContact O-N 3.4Å; V331-S334 PolarHBondContact O-OG 3.44Å; S334-K336 PolarHBondContact O-N 3.19Å
335C89.5Confident92Very high9 Ų945.9 Ų45.96%0.06123%0.225CC..  trans-71.1112.2178.5-176.30000111D300 Q333D300-C335 HydrophobicContact CB-CB 4.38Å; D300-C335 VanDerWaalsContact CG-CB 3.47Å; D300-C335 VanDerWaalsContact OD1-CB 3.27Å; D300-C335 WeakPolarHBondContact OD1-CB 3.41Å; Q333-C335 VanDerWaalsContact C-N 3.3Å; Q333-C335 PolarHBondContact O-N 3.34Å
336K85.7Confident91.9Very high108 Ų10845.8 Ų45.847%0.4723%0.225SC..  trans-97.10.4176.9-53.6-169.5-167.5166.80113.8N294 S334 R343N294-K336 HydrophobicContact CB-CG 4.5Å; N294-K336 WeakPolarHBondContact ND2-CB 3.34Å; N294-K336 VanDerWaalsContact ND2-CD 3.34Å; N294-K336 WeakPolarHBondContact ND2-CD 3.21Å; N294-K336 WeakPolarHBondContact ND2-CG 3.4Å; S334-K336 PolarHBondContact O-N 3.19Å; K336-R343 PolarHBondContact O-NH1 2.67Å
337S85.8Confident91.8Very high4 Ų444.3 Ų44.33%0.02823%0.226CC..  trans-59.9138.6179.6-173.50000111K339 F340S337-K339 VanDerWaalsContact C-N 3.33Å; S337-K339 PolarHBondContact OG-N 3.1Å; S337-K339 VanDerWaalsContact OG-N 3.16Å; S337-F340 PolarHBondContact OG-N 3.34Å
338N83.8Confident91.8Very high113 Ų11344 Ų4460%0.60423%0.225SC*.SBendtrans-80.7-18.3169.2-66.9-22.6000112.1R343N338-R343 WeakPolarHBondContact OD1-CD 3.27Å; N338-R343 PolarHBondContact OD1-NH1 3.39Å
339K87.5Confident91.7Very high145 Ų14551 Ų5163%0.6326%0.255SS*.SBendtrans-86.7-33.4178.6-68.2-174.7178.6179.90112.5S304 S337 S344S304-K339 PolarHBondContact OG-O 2.81Å; S337-K339 VanDerWaalsContact C-N 3.33Å; S337-K339 PolarHBondContact OG-N 3.1Å; S337-K339 VanDerWaalsContact OG-N 3.16Å; K339-S344 VanDerWaalsContact O-CB 3.26Å; K339-S344 WeakPolarHBondContact O-CB 3.47Å
340F90.7Very high91.6Very high23 Ų2351.8 Ų51.810%0.10126%0.259CS..SBendtrans-120165.7-175.7-56-65.8000112.8V244 L286 L288 V296 D300 V301 S304 S337V244-F340 HydrophobicContact CG1-CE1 4.3Å; V244-F340 HydrophobicContact CG2-CE1 4.06Å; V244-F340 HydrophobicContact CG2-CZ 3.61Å; L286-F340 HydrophobicContact CD1-CD2 4.46Å; L286-F340 HydrophobicContact CD1-CE2 4.07Å; L286-F340 HydrophobicContact CD1-CZ 4.12Å; L288-F340 HydrophobicContact CD2-CD2 4.29Å; V296-F340 HydrophobicContact CG1-CB 3.86Å; V296-F340 HydrophobicContact CG1-CD2 4.05Å; V296-F340 HydrophobicContact CG1-CG 3.99Å; V296-F340 HydrophobicContact CG2-CD2 4.23Å; D300-F340 HydrophobicContact CB-CB 4.19Å; V301-F340 HydrophobicContact CG2-CD1 4.35Å; S304-F340 VanDerWaalsContact OG-CA 3.32Å; S304-F340 WeakPolarHBondContact OG-CA 3.25Å; S337-F340 PolarHBondContact OG-N 3.34Å
341G92.5Very high91.7Very high0 Ų049.4 Ų49.40%024%0.241CC..SBendtrans71.4-158.8173.700000113.7D300 R343 S344D300-G341 PolarHBondContact O-N 3.31Å; D300-G341 WeakPolarHBondContact OD1-CA 3.28Å; G341-R343 VanDerWaalsContact C-N 3.29Å; G341-R343 PolarHBondContact O-N 2.86Å; G341-S344 WeakPolarHBondContact O-CB 3.38Å; G341-S344 PolarHBondContact O-N 2.75Å; G341-S344 PolarHBondContact O-OG 2.86Å
342L93.7Very high91.7Very high10 Ų1048.8 Ų48.85%0.05224%0.241CC..G310 helixtrans-60.6-32.9-168.6-74.6170.1000114.1M303 I332 S344 V345 L357 M376 I380M303-L342 HydrophobicContact CE-CD2 3.99Å; M303-L342 HydrophobicContact CE-CG 4.34Å; M303-L342 VanDerWaalsContact SD-CA 3.59Å; M303-L342 HydrophobicContact SD-CB 4.38Å; M303-L342 HydrophobicContact SD-CD2 3.68Å; M303-L342 HydrophobicContact SD-CG 4Å; M303-L342 PolarHBondContact SD-N 2.96Å; I332-L342 HydrophobicContact CB-CD1 4.36Å; I332-L342 HydrophobicContact CB-CG 4.45Å; I332-L342 HydrophobicContact CD1-CD1 4.17Å; I332-L342 HydrophobicContact CD1-CD2 4.36Å; I332-L342 HydrophobicContact CG1-CD1 4.03Å; L342-S344 PolarHBondContact O-N 2.79Å; L342-V345 WeakPolarHBondContact O-CB 3.22Å; L342-V345 WeakPolarHBondContact O-CG2 3.46Å; L342-V345 PolarHBondContact O-N 3.09Å; L342-L357 HydrophobicContact CD2-CD1 4.04Å; L342-M376 HydrophobicContact CD1-CE 4.37Å; L342-M376 HydrophobicContact CD1-SD 3.57Å; L342-M376 VanDerWaalsContact CD1-SD 3.57Å; L342-I380 HydrophobicContact CB-CD1 3.91Å; L342-I380 HydrophobicContact CB-CG1 3.93Å; L342-I380 HydrophobicContact CD1-CD1 4.33Å; L342-I380 HydrophobicContact CD2-CD1 4Å; L342-I380 HydrophobicContact CG-CD1 4.32Å
343R91.4Very high91.8Very high94 Ų9448.8 Ų48.836%0.35524%0.241SC..G310 helixtrans-69.6-22.9178.8-65.4-177.8-179.7-177.60.5113.3K336 N338 G341 V345 P347K336-R343 PolarHBondContact O-NH1 2.67Å; N338-R343 WeakPolarHBondContact OD1-CD 3.27Å; N338-R343 PolarHBondContact OD1-NH1 3.39Å; G341-R343 VanDerWaalsContact C-N 3.29Å; G341-R343 PolarHBondContact O-N 2.86Å; R343-V345 VanDerWaalsContact C-N 3.29Å; R343-P347 WeakPolarHBondContact O-CD 3.4Å
344S92.9Very high92Very high2 Ų243.8 Ų43.81%0.01422%0.217CC..G310 helixtrans-79.9-11.8178.1790000113.2S304 K339 G341 L342 I346 N348S304-S344 WeakPolarHBondContact CB-OG 3.49Å; S304-S344 WeakPolarHBondContact OG-CB 3.32Å; S304-S344 PolarHBondContact OG-OG 2.9Å; K339-S344 VanDerWaalsContact O-CB 3.26Å; K339-S344 WeakPolarHBondContact O-CB 3.47Å; G341-S344 WeakPolarHBondContact O-CB 3.38Å; G341-S344 PolarHBondContact O-N 2.75Å; G341-S344 PolarHBondContact O-OG 2.86Å; L342-S344 PolarHBondContact O-N 2.79Å; S344-I346 PolarHBondContact O-N 2.78Å; S344-N348 WeakPolarHBondContact CB-ND2 3.38Å; S344-N348 WeakPolarHBondContact O-CB 3.5Å; S344-N348 VanDerWaalsContact O-CG 3.31Å; S344-N348 PolarHBondContact O-N 3.25Å; S344-N348 PolarHBondContact O-ND2 2.88Å
345V95.1Very high92.3Very high0 Ų042.9 Ų42.90%021%0.21CC..THydrogen-bonded Turntrans-65-43.6-171.4172.70000112.5M303 L342 R343 K349 Q350 L354M303-V345 HydrophobicContact CG-CG2 3.52Å; M303-V345 HydrophobicContact SD-CG2 3.48Å; M303-V345 WeakPolarHBondContact SD-CG2 3.37Å; L342-V345 WeakPolarHBondContact O-CB 3.22Å; L342-V345 WeakPolarHBondContact O-CG2 3.46Å; L342-V345 PolarHBondContact O-N 3.09Å; R343-V345 VanDerWaalsContact C-N 3.29Å; V345-K349 PolarHBondContact O-N 3.19Å; V345-Q350 HydrophobicContact CG1-CB 4.2Å; V345-Q350 WeakPolarHBondContact CG1-O 3.47Å; V345-Q350 PolarHBondContact O-N 3.34Å; V345-L354 HydrophobicContact CG1-CD1 4.13Å; V345-L354 HydrophobicContact CG1-CD2 4.33Å; V345-L354 HydrophobicContact CG1-CG 3.86Å
346I94.8Very high92.6Very high5 Ų543 Ų433%0.02621%0.21CC..THydrogen-bonded Turntrans-71.1-53.1-178.7-59.1-59.2000111.2S344 N348 K349 Y351 L354 I380 F381 M404S344-I346 PolarHBondContact O-N 2.78Å; I346-N348 VanDerWaalsContact C-N 3.27Å; I346-N348 PolarHBondContact O-N 3.36Å; I346-K349 PolarHBondContact O-N 3.28Å; I346-Y351 HydrophobicContact CD1-CD1 4.09Å; I346-Y351 HydrophobicContact CD1-CE1 4.15Å; I346-L354 HydrophobicContact CD1-CD1 4.02Å; I346-I380 HydrophobicContact CD1-CG2 4.48Å; I346-I380 HydrophobicContact CG1-CG2 3.82Å; I346-F381 HydrophobicContact CD1-CD1 4.3Å; I346-F381 HydrophobicContact CD1-CE1 3.6Å; I346-F381 HydrophobicContact CD1-CE2 4.31Å; I346-F381 HydrophobicContact CD1-CZ 3.6Å; I346-F381 HydrophobicContact CG1-CD1 4.25Å; I346-F381 HydrophobicContact CG1-CE1 4.04Å; I346-F381 HydrophobicContact CG1-CZ 4.25Å; I346-M404 HydrophobicContact CD1-SD 3.9Å; I346-M404 WeakPolarHBondContact CG2-O 3.49Å
347P92.9Very high93.2Very high79 Ų7937.9 Ų37.951%0.51319%0.187SC..THydrogen-bonded Turntrans-57.9-38.4177.8-25.334.7000113.3R343 K349R343-P347 WeakPolarHBondContact O-CD 3.4Å; P347-K349 VanDerWaalsContact C-N 3.29Å; P347-K349 PolarHBondContact O-N 3.19Å
348N93.7Very high93.8Very high61 Ų6137.7 Ų37.733%0.32619%0.186SC..THydrogen-bonded Turntrans-84.92-179.2-64.1-36.3000113.5S304 S344 I346 Q350S304-N348 PolarHBondContact O-ND2 2.68Å; S344-N348 WeakPolarHBondContact CB-ND2 3.38Å; S344-N348 WeakPolarHBondContact O-CB 3.5Å; S344-N348 VanDerWaalsContact O-CG 3.31Å; S344-N348 PolarHBondContact O-N 3.25Å; S344-N348 PolarHBondContact O-ND2 2.88Å; I346-N348 VanDerWaalsContact C-N 3.27Å; I346-N348 PolarHBondContact O-N 3.36Å; N348-Q350 VanDerWaalsContact C-N 3.28Å; N348-Q350 HydrophobicContact CB-CG 3.89Å; N348-Q350 PolarHBondContact O-N 3.11Å; N348-Q350 PolarHBondContact O-NE2 2.75Å
349K94.7Very high94.4Very high148 Ų14835.2 Ų35.264%0.64317%0.173SC*.THydrogen-bonded Turntrans58.932.2-178.3-49-172.4178.2179.30114.6V345 I346 P347 Y351V345-K349 PolarHBondContact O-N 3.19Å; I346-K349 PolarHBondContact O-N 3.28Å; P347-K349 VanDerWaalsContact C-N 3.29Å; P347-K349 PolarHBondContact O-N 3.19Å; K349-Y351 HydrophobicContact CB-CE1 4.33Å; K349-Y351 HydrophobicContact CB-CE2 3.92Å; K349-Y351 HydrophobicContact CG-CE2 4.44Å; K349-Y351 PolarHBondContact O-N 2.98Å; K349-Y351 VanDerWaalsContact O-N 3.16Å
350Q94.5Very high94.9Very high21 Ų2128.3 Ų28.310%0.09814%0.143CC..  trans-88.439-178.3-58.2-50.1-52.900112.9M303 S305 S309 V345 N348 G352 V353M303-Q350 WeakPolarHBondContact O-CG 3.39Å; S305-Q350 PolarHBondContact O-OE1 3.46Å; S309-Q350 PolarHBondContact OG-OE1 3.16Å; V345-Q350 HydrophobicContact CG1-CB 4.2Å; V345-Q350 WeakPolarHBondContact CG1-O 3.47Å; V345-Q350 PolarHBondContact O-N 3.34Å; N348-Q350 VanDerWaalsContact C-N 3.28Å; N348-Q350 HydrophobicContact CB-CG 3.89Å; N348-Q350 PolarHBondContact O-N 3.11Å; N348-Q350 PolarHBondContact O-NE2 2.75Å; Q350-G352 PolarHBondContact O-N 3.2Å; Q350-V353 HydrophobicContact CB-CG2 4.31Å; Q350-V353 WeakPolarHBondContact O-CB 3.5Å; Q350-V353 WeakPolarHBondContact O-CG2 3.34Å; Q350-V353 PolarHBondContact O-N 3.11Å
351Y95.3Very high95.2Very high34 Ų3427.2 Ų27.213%0.13314%0.138CC..Hα-helixtrans-56.5-30.2-171.2-43.8-47.2000113.8I346 K349 V353 L354 T355 M404 I440I346-Y351 HydrophobicContact CD1-CD1 4.09Å; I346-Y351 HydrophobicContact CD1-CE1 4.15Å; K349-Y351 HydrophobicContact CB-CE1 4.33Å; K349-Y351 HydrophobicContact CB-CE2 3.92Å; K349-Y351 HydrophobicContact CG-CE2 4.44Å; K349-Y351 PolarHBondContact O-N 2.98Å; K349-Y351 VanDerWaalsContact O-N 3.16Å; Y351-V353 PolarHBondContact O-N 3.04Å; Y351-V353 VanDerWaalsContact O-N 3.14Å; Y351-L354 WeakPolarHBondContact O-CB 3.47Å; Y351-L354 PolarHBondContact O-N 3.41Å; Y351-T355 PolarHBondContact O-N 3.32Å; Y351-T355 VanDerWaalsContact O-N 3.17Å; Y351-T355 PolarHBondContact O-OG1 3.35Å; Y351-M404 HydrophobicContact CD1-CB 3.75Å; Y351-M404 HydrophobicContact CD1-CG 4Å; Y351-M404 HydrophobicContact CD1-SD 3.8Å; Y351-M404 HydrophobicContact CD2-CB 4.37Å; Y351-M404 HydrophobicContact CD2-CG 4.5Å; Y351-M404 HydrophobicContact CE1-CB 3.52Å; Y351-M404 HydrophobicContact CE1-CG 4.29Å; Y351-M404 WeakPolarHBondContact CE1-O 3.44Å; Y351-M404 HydrophobicContact CE1-SD 4.46Å; Y351-M404 HydrophobicContact CE2-CB 4.18Å; Y351-M404 HydrophobicContact CG-CB 4.16Å; Y351-M404 HydrophobicContact CG-CG 4.09Å; Y351-M404 HydrophobicContact CG-SD 4.13Å; Y351-M404 PolarHBondContact OH-O 3.42Å; Y351-I440 HydrophobicContact CD2-CD1 3.84Å; Y351-I440 HydrophobicContact CE2-CD1 3.5Å; Y351-I440 VanDerWaalsContact CE2-CD1 3.5Å
352G94.1Very high95.3Very high18 Ų1829.9 Ų29.919%0.18615%0.152CC..Hα-helixtrans-59.6-22.7177.200000113.8R313 Q350 D356R313-G352 PolarHBondContact NE-O 3.46Å; Q350-G352 PolarHBondContact O-N 3.2Å; G352-D356 WeakPolarHBondContact O-CB 3.44Å; G352-D356 VanDerWaalsContact O-CG 3.26Å; G352-D356 PolarHBondContact O-N 3.22Å
353V96.6Very high95.4Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-66.2-45.3171.6178.80000110.5M303 R313 I316 Q350 Y351 D356 L357M303-V353 HydrophobicContact CE-CG1 4.06Å; M303-V353 HydrophobicContact CG-CG1 4.05Å; M303-V353 HydrophobicContact CG-CG2 4.27Å; M303-V353 HydrophobicContact SD-CG1 4.14Å; R313-V353 HydrophobicContact CG-CG2 4.02Å; I316-V353 HydrophobicContact CD1-CG1 4.06Å; Q350-V353 HydrophobicContact CB-CG2 4.31Å; Q350-V353 WeakPolarHBondContact O-CB 3.5Å; Q350-V353 WeakPolarHBondContact O-CG2 3.34Å; Q350-V353 PolarHBondContact O-N 3.11Å; Y351-V353 PolarHBondContact O-N 3.04Å; Y351-V353 VanDerWaalsContact O-N 3.14Å; V353-D356 PolarHBondContact O-N 3.31Å; V353-L357 HydrophobicContact CG1-CD1 4.13Å; V353-L357 WeakPolarHBondContact O-CB 3.11Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.43Å; V353-L357 PolarHBondContact O-N 2.82Å
354L97Very high95.6Very high0 Ų032.1 Ų32.10%016%0.161CC..Hα-helixtrans-65.3-41178.2-60.5-179.7000111.6V345 I346 Y351 L357 A358 I380 F381 M404 F446V345-L354 HydrophobicContact CG1-CD1 4.13Å; V345-L354 HydrophobicContact CG1-CD2 4.33Å; V345-L354 HydrophobicContact CG1-CG 3.86Å; I346-L354 HydrophobicContact CD1-CD1 4.02Å; Y351-L354 WeakPolarHBondContact O-CB 3.47Å; Y351-L354 PolarHBondContact O-N 3.41Å; L354-L357 PolarHBondContact O-N 3.34Å; L354-A358 PolarHBondContact O-N 3.16Å; L354-I380 HydrophobicContact CD1-CG2 4.46Å; L354-I380 HydrophobicContact CD2-CD1 3.92Å; L354-F381 HydrophobicContact CD1-CE2 4.28Å; L354-F381 HydrophobicContact CD1-CZ 4.28Å; L354-M404 HydrophobicContact CD1-CE 4.49Å; L354-M404 HydrophobicContact CD1-SD 4.24Å; L354-F446 HydrophobicContact CB-CD2 4.07Å; L354-F446 HydrophobicContact CB-CE2 3.73Å; L354-F446 HydrophobicContact CB-CZ 4.11Å; L354-F446 WeakPolarHBondContact O-CE2 3.04Å
355T95.7Very high95.5Very high27 Ų2735.1 Ų35.117%0.16618%0.181CC..Hα-helixtrans-61.1-48.6175.6-51.10000111.3Y351 L357 A358 D359Y351-T355 PolarHBondContact O-N 3.32Å; Y351-T355 VanDerWaalsContact O-N 3.17Å; Y351-T355 PolarHBondContact O-OG1 3.35Å; T355-L357 VanDerWaalsContact C-N 3.29Å; T355-L357 PolarHBondContact O-N 3.36Å; T355-A358 PolarHBondContact O-N 2.9Å; T355-D359 WeakPolarHBondContact O-CB 3.35Å; T355-D359 PolarHBondContact O-N 3.26Å
356D96.6Very high95.4Very high11 Ų1137.3 Ų37.36%0.05920%0.196CC..Hα-helixtrans-66.4-31-179.7-70.21.5000111.9R313 I316 R317 G352 V353 L360R313-D356 WeakPolarHBondContact CB-OD2 3.31Å; R313-D356 WeakPolarHBondContact CG-OD2 3.28Å; R313-D356 IonicContact CZ-OD2 3.48Å; R313-D356 IonicContact NE-OD1 3.23Å; R313-D356 IonicContact NE-OD2 3.59Å; R313-D356 PolarHBondContact NE-OD2 2.96Å; R313-D356 IonicContact NH2-OD1 3.85Å; R313-D356 PolarHBondContact NH2-OD1 2.9Å; R313-D356 IonicContact NH2-OD2 2.79Å; R313-D356 PolarHBondContact NH2-OD2 2.9Å; I316-D356 HydrophobicContact CB-CB 4.41Å; I316-D356 HydrophobicContact CG2-CB 3.92Å; I316-D356 WeakPolarHBondContact CG2-O 3.48Å; R317-D356 IonicContact NH1-OD2 2.86Å; R317-D356 PolarHBondContact NH1-OD2 3.35Å; G352-D356 WeakPolarHBondContact O-CB 3.44Å; G352-D356 VanDerWaalsContact O-CG 3.26Å; G352-D356 PolarHBondContact O-N 3.22Å; V353-D356 PolarHBondContact O-N 3.31Å; D356-L360 WeakPolarHBondContact O-CB 3.24Å; D356-L360 PolarHBondContact O-N 3.45Å
357L97.6Very high95.4Very high0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-68.9-42.4172-73.2172.9000112.5I316 F328 F329 I332 L342 V353 L354 T355 L360 C361 F373I316-L357 HydrophobicContact CD1-CD2 4.04Å; I316-L357 HydrophobicContact CD1-CG 4.14Å; I316-L357 HydrophobicContact CG1-CD2 4.3Å; I316-L357 HydrophobicContact CG2-CD2 4.16Å; F328-L357 HydrophobicContact CE1-CD2 4.02Å; F329-L357 HydrophobicContact CE2-CD2 4.11Å; F329-L357 HydrophobicContact CZ-CD2 4Å; I332-L357 HydrophobicContact CD1-CD1 4.26Å; I332-L357 HydrophobicContact CD1-CD2 4.25Å; L342-L357 HydrophobicContact CD2-CD1 4.04Å; V353-L357 HydrophobicContact CG1-CD1 4.13Å; V353-L357 WeakPolarHBondContact O-CB 3.11Å; V353-L357 VanDerWaalsContact O-CG 3.26Å; V353-L357 WeakPolarHBondContact O-CG 3.43Å; V353-L357 PolarHBondContact O-N 2.82Å; L354-L357 PolarHBondContact O-N 3.34Å; T355-L357 VanDerWaalsContact C-N 3.29Å; T355-L357 PolarHBondContact O-N 3.36Å; L357-L360 WeakPolarHBondContact O-CB 3.24Å; L357-L360 PolarHBondContact O-N 3.14Å; L357-C361 PolarHBondContact O-N 3.32Å; L357-C361 PolarHBondContact O-SG 3.38Å; L357-F373 HydrophobicContact CB-CD2 4.16Å; L357-F373 HydrophobicContact CB-CE2 3.51Å; L357-F373 HydrophobicContact CB-CZ 3.94Å; L357-F373 HydrophobicContact CD1-CE2 4Å; L357-F373 HydrophobicContact CG-CE2 4.38Å
358A97.6Very high95.5Very high0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-62.5-45173.700000110.8L354 T355 L360 C361 I362 F373 F446 L450 F453L354-A358 PolarHBondContact O-N 3.16Å; T355-A358 PolarHBondContact O-N 2.9Å; A358-L360 VanDerWaalsContact C-N 3.3Å; A358-L360 PolarHBondContact O-N 3.36Å; A358-C361 WeakPolarHBondContact O-CB 3.34Å; A358-C361 PolarHBondContact O-N 3.44Å; A358-C361 VanDerWaalsContact O-N 3.09Å; A358-I362 WeakPolarHBondContact O-CG1 3.39Å; A358-I362 PolarHBondContact O-N 3.46Å; A358-F373 HydrophobicContact CB-CE1 3.82Å; A358-F373 HydrophobicContact CB-CZ 4.21Å; A358-F446 HydrophobicContact CB-CD2 4.25Å; A358-F446 HydrophobicContact CB-CE2 3.93Å; A358-L450 HydrophobicContact CB-CD2 4.48Å; A358-F453 HydrophobicContact CB-CE1 4.34Å; A358-F453 HydrophobicContact CB-CZ 4.43Å
359D96.8Very high95.6Very high61 Ų6141.2 Ų41.233%0.32621%0.206SC..Hα-helixtrans-64.3-34.3177-72.1-10000111.9T355 I362 R363 S449T355-D359 WeakPolarHBondContact O-CB 3.35Å; T355-D359 PolarHBondContact O-N 3.26Å; D359-I362 PolarHBondContact O-N 2.86Å; D359-R363 WeakPolarHBondContact O-CB 3.36Å; D359-R363 WeakPolarHBondContact O-CG 3.4Å; D359-R363 PolarHBondContact O-N 3.46Å; D359-S449 PolarHBondContact OD1-OG 2.94Å
360L97.8Very high95.6Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-61.3-43.8170.7176.464.5000111.6I316 L319 I325 F329 D356 L357 A358 I362 R363 H364I316-L360 HydrophobicContact CG2-CB 4.13Å; I316-L360 HydrophobicContact CG2-CD2 4.02Å; L319-L360 HydrophobicContact CB-CD1 3.95Å; L319-L360 HydrophobicContact CB-CD2 4.27Å; L319-L360 HydrophobicContact CD1-CD2 3.8Å; I325-L360 HydrophobicContact CD1-CD1 4.12Å; I325-L360 HydrophobicContact CG1-CD1 4.27Å; I325-L360 HydrophobicContact CG2-CD2 4.37Å; F329-L360 HydrophobicContact CE2-CD2 3.83Å; D356-L360 WeakPolarHBondContact O-CB 3.24Å; D356-L360 PolarHBondContact O-N 3.45Å; L357-L360 WeakPolarHBondContact O-CB 3.24Å; L357-L360 PolarHBondContact O-N 3.14Å; A358-L360 VanDerWaalsContact C-N 3.3Å; A358-L360 PolarHBondContact O-N 3.36Å; L360-I362 VanDerWaalsContact C-N 3.28Å; L360-I362 PolarHBondContact O-N 3.23Å; L360-R363 VanDerWaalsContact CD1-NH2 3.29Å; L360-R363 PolarHBondContact O-N 2.83Å; L360-H364 PolarHBondContact O-N 3.05Å
361C97.3Very high95.7Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-66.4-27.7176.6-61.80000113.3L357 A358 H364 Q370 F453L357-C361 PolarHBondContact O-N 3.32Å; L357-C361 PolarHBondContact O-SG 3.38Å; A358-C361 WeakPolarHBondContact O-CB 3.34Å; A358-C361 PolarHBondContact O-N 3.44Å; A358-C361 VanDerWaalsContact O-N 3.09Å; C361-H364 CarbonylContact O-C 3.46Å; C361-Q370 HydrophobicContact CB-CG 3.96Å; C361-Q370 PolarHBondContact O-NE2 2.99Å; C361-Q370 VanDerWaalsContact O-NE2 3.12Å; C361-F453 HydrophobicContact CB-CE1 3.99Å; C361-F453 HydrophobicContact CB-CE2 4.16Å; C361-F453 HydrophobicContact CB-CZ 3.54Å
362I96Very high95.7Very high56 Ų5637.7 Ų37.729%0.28719%0.191SC..Hα-helixtrans-77.1-43.1174.2-65.7164.1000110.8A358 D359 L360 H364 K452 F453A358-I362 WeakPolarHBondContact O-CG1 3.39Å; A358-I362 PolarHBondContact O-N 3.46Å; D359-I362 PolarHBondContact O-N 2.86Å; L360-I362 VanDerWaalsContact C-N 3.28Å; L360-I362 PolarHBondContact O-N 3.23Å; I362-H364 VanDerWaalsContact C-N 3.31Å; I362-H364 PolarHBondContact O-N 3.29Å; I362-K452 HydrophobicContact CD1-CB 3.93Å; I362-K452 HydrophobicContact CD1-CD 4.21Å; I362-K452 HydrophobicContact CG1-CB 4.33Å; I362-F453 HydrophobicContact CD1-CD1 4.48Å; I362-F453 HydrophobicContact CD1-CE1 4.3Å; I362-F453 HydrophobicContact CG1-CD1 3.91Å; I362-F453 HydrophobicContact CG1-CE1 3.83Å
363R95.8Very high95.8Very high105 Ų10536.8 Ų36.840%0.39618%0.182SC..Hα-helixtrans-66.3-32178.4-75.2-175.2-64.6113.2-9.3113.1I316 L319 D359 L360 P365I316-R363 PolarHBondContact O-NH2 2.8Å; I316-R363 VanDerWaalsContact O-NH2 3.17Å; L319-R363 PolarHBondContact O-NH1 3.18Å; D359-R363 WeakPolarHBondContact O-CB 3.36Å; D359-R363 WeakPolarHBondContact O-CG 3.4Å; D359-R363 PolarHBondContact O-N 3.46Å; L360-R363 VanDerWaalsContact CD1-NH2 3.29Å; L360-R363 PolarHBondContact O-N 2.83Å; R363-P365 VanDerWaalsContact C-CD 3.44Å; R363-P365 WeakPolarHBondContact O-CD 3.38Å
364H95.3Very high95.8Very high47 Ų4738.1 Ų38.122%0.21819%0.189CC..SBendtrans-120.370.9179.6-63.2-86000109.7L319 V320 I325 L360 C361 I362 S366 L369L319-H364 PolarHBondContact O-NE2 3.22Å; V320-H364 PolarHBondContact O-CE1 3.22Å; V320-H364 VanDerWaalsContact O-CE1 3.27Å; V320-H364 PolarHBondContact O-ND1 3.23Å; I325-H364 HydrophobicContact CD1-CB 4.07Å; L360-H364 PolarHBondContact O-N 3.05Å; C361-H364 CarbonylContact O-C 3.46Å; I362-H364 VanDerWaalsContact C-N 3.31Å; I362-H364 PolarHBondContact O-N 3.29Å; H364-S366 PolarHBondContact O-N 3.22Å; H364-S366 VanDerWaalsContact O-N 3.08Å; H364-L369 HydrophobicContact CB-CD2 4.33Å
365P90.1Very high95.7Very high64 Ų6447 Ų4742%0.41622%0.223SC..  trans-65.4115.4-172.228-34.7000110.4R363 Y455R363-P365 VanDerWaalsContact C-CD 3.44Å; R363-P365 WeakPolarHBondContact O-CD 3.38Å; P365-Y455 HydrophobicContact CB-CD2 3.65Å; P365-Y455 HydrophobicContact CB-CE2 3.45Å; P365-Y455 VanDerWaalsContact CB-CE2 3.45Å; P365-Y455 HydrophobicContact CG-CE2 4.21Å
366S93.8Very high95.6Very high46 Ų4646 Ų4632%0.32222%0.216SC..  trans-147.6134.9178162.20000108.3H364 E368 L369 Q370H364-S366 PolarHBondContact O-N 3.22Å; H364-S366 VanDerWaalsContact O-N 3.08Å; S366-E368 PolarHBondContact OG-N 3.44Å; S366-L369 PolarHBondContact O-N 3.26Å; S366-L369 PolarHBondContact OG-N 3.06Å; S366-Q370 WeakPolarHBondContact O-CB 3.26Å; S366-Q370 WeakPolarHBondContact O-CG 3.45Å; S366-Q370 PolarHBondContact O-N 2.9Å
367E94.6Very high95.5Very high96 Ų9645.5 Ų45.545%0.44921%0.214SC..Hα-helixtrans-59.9-46.4177-175.6176.6176.300111.3L369 R371E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 2.93Å; E367-R371 HydrophobicContact CG-CG 4.23Å; E367-R371 VanDerWaalsContact CG-NE 3.31Å; E367-R371 VanDerWaalsContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CB 3.11Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.37Å; E367-R371 PolarHBondContact O-N 3.14Å; E367-R371 IonicContact OE1-CZ 3.14Å; E367-R371 IonicContact OE1-NE 2.75Å; E367-R371 PolarHBondContact OE1-NE 3.43Å; E367-R371 IonicContact OE1-NH2 2.69Å; E367-R371 PolarHBondContact OE1-NH2 3.24Å
368E94.6Very high95.3Very high113 Ų11346.8 Ų46.853%0.52822%0.222SC..Hα-helixtrans-58.4-46.6178.7-175.1-175.3172.400111K326 S366 T372K326-E368 IonicContact NZ-OE1 2.79Å; K326-E368 PolarHBondContact NZ-OE1 3.23Å; K326-E368 IonicContact NZ-OE2 3.97Å; S366-E368 PolarHBondContact OG-N 3.44Å; E368-T372 VanDerWaalsContact O-CB 3.29Å; E368-T372 WeakPolarHBondContact O-CB 3.48Å; E368-T372 PolarHBondContact O-N 3.2Å; E368-T372 PolarHBondContact O-OG1 3.04Å
369L95.4Very high95Very high18 Ų1849.2 Ų49.29%0.09424%0.239CC..Hα-helixtrans-66.8-50.8-177.6-177.660.9000111.7I325 F329 H364 S366 E367 R371 T372 F373I325-L369 HydrophobicContact CG2-CD1 3.66Å; I325-L369 HydrophobicContact CG2-CD2 3.8Å; I325-L369 HydrophobicContact CG2-CG 4.4Å; F329-L369 HydrophobicContact CD1-CD1 4.08Å; F329-L369 HydrophobicContact CD2-CD1 3.72Å; F329-L369 HydrophobicContact CE1-CD1 3.96Å; F329-L369 HydrophobicContact CE2-CD1 3.58Å; F329-L369 HydrophobicContact CG-CD1 3.96Å; F329-L369 HydrophobicContact CZ-CD1 3.71Å; H364-L369 HydrophobicContact CB-CD2 4.33Å; S366-L369 PolarHBondContact O-N 3.26Å; S366-L369 PolarHBondContact OG-N 3.06Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 2.93Å; L369-R371 PolarHBondContact O-N 2.87Å; L369-T372 PolarHBondContact O-N 3.45Å; L369-F373 PolarHBondContact O-N 3.33Å
370Q96.4Very high94.9Very high1 Ų146.6 Ų46.61%0.00523%0.225CC..Hα-helixtrans-64-41.9-179.6-71.71796.600111.3C361 S366 T372 F373 L374 F453 A456C361-Q370 HydrophobicContact CB-CG 3.96Å; C361-Q370 PolarHBondContact O-NE2 2.99Å; C361-Q370 VanDerWaalsContact O-NE2 3.12Å; S366-Q370 WeakPolarHBondContact O-CB 3.26Å; S366-Q370 WeakPolarHBondContact O-CG 3.45Å; S366-Q370 PolarHBondContact O-N 2.9Å; Q370-T372 PolarHBondContact O-N 3.27Å; Q370-F373 PolarHBondContact O-N 3.37Å; Q370-L374 WeakPolarHBondContact O-CB 3.33Å; Q370-L374 VanDerWaalsContact O-CG 3.26Å; Q370-L374 WeakPolarHBondContact O-CG 3.37Å; Q370-L374 PolarHBondContact O-N 2.9Å; Q370-F453 HydrophobicContact CB-CD2 3.65Å; Q370-F453 HydrophobicContact CB-CE2 3.85Å; Q370-F453 HydrophobicContact CB-CG 4.48Å; Q370-F453 HydrophobicContact CG-CD2 3.67Å; Q370-F453 HydrophobicContact CG-CE2 3.84Å; Q370-F453 HydrophobicContact CG-CG 4.11Å; Q370-F453 HydrophobicContact CG-CZ 4.43Å; Q370-A456 HydrophobicContact CB-CB 3.49Å; Q370-A456 VanDerWaalsContact CB-CB 3.49Å
371R95.6Very high94.8Very high94 Ų9446.6 Ų46.636%0.35523%0.225SC..Hα-helixtrans-62.1-42.9174.5-74.5-175.2-173.9-76.11.1111.8E367 L369 L374 R375 A456E367-R371 HydrophobicContact CG-CG 4.23Å; E367-R371 VanDerWaalsContact CG-NE 3.31Å; E367-R371 VanDerWaalsContact O-CB 3.24Å; E367-R371 WeakPolarHBondContact O-CB 3.11Å; E367-R371 VanDerWaalsContact O-CG 3.23Å; E367-R371 WeakPolarHBondContact O-CG 3.37Å; E367-R371 PolarHBondContact O-N 3.14Å; E367-R371 IonicContact OE1-CZ 3.14Å; E367-R371 IonicContact OE1-NE 2.75Å; E367-R371 PolarHBondContact OE1-NE 3.43Å; E367-R371 IonicContact OE1-NH2 2.69Å; E367-R371 PolarHBondContact OE1-NH2 3.24Å; L369-R371 PolarHBondContact O-N 2.87Å; R371-L374 PolarHBondContact O-N 2.86Å; R371-R375 WeakPolarHBondContact O-CB 3.47Å; R371-R375 VanDerWaalsContact O-CG 3.27Å; R371-R375 WeakPolarHBondContact O-CG 3.2Å; R371-R375 PolarHBondContact O-N 3.14Å; R371-A456 HydrophobicContact CB-CB 4.3Å; R371-A456 HydrophobicContact CG-CB 3.48Å; R371-A456 VanDerWaalsContact CG-CB 3.48Å
372T95.4Very high94.5Very high34 Ų3448.6 Ų48.621%0.20925%0.246CC..Hα-helixtrans-60.9-48.1177.9-60.10000110.5F329 E368 L369 Q370 L374 R375 M376F329-T372 HydrophobicContact CD1-CG2 4.2Å; E368-T372 VanDerWaalsContact O-CB 3.29Å; E368-T372 WeakPolarHBondContact O-CB 3.48Å; E368-T372 PolarHBondContact O-N 3.2Å; E368-T372 PolarHBondContact O-OG1 3.04Å; L369-T372 PolarHBondContact O-N 3.45Å; Q370-T372 PolarHBondContact O-N 3.27Å; T372-L374 PolarHBondContact O-N 3.41Å; T372-R375 PolarHBondContact O-N 3.28Å; T372-M376 WeakPolarHBondContact O-CG 3.49Å; T372-M376 PolarHBondContact O-N 2.88Å
373F96.7Very high94.2Very high0 Ų046.7 Ų46.70%024%0.235CC..Hα-helixtrans-57.8-50.4176.3-174.8-118.4000112.9F329 L357 A358 L369 Q370 R375 M376 L377 F446 L450 F453F329-F373 HydrophobicContact CE1-CB 3.91Å; F329-F373 AromaticContact CE1-CD2 3.97Å; F329-F373 HydrophobicContact CE1-CD2 3.97Å; F329-F373 HydrophobicContact CE1-CG 4.35Å; F329-F373 HydrophobicContact CZ-CD2 4.37Å; L357-F373 HydrophobicContact CB-CD2 4.16Å; L357-F373 HydrophobicContact CB-CE2 3.51Å; L357-F373 HydrophobicContact CB-CZ 3.94Å; L357-F373 HydrophobicContact CD1-CE2 4Å; L357-F373 HydrophobicContact CG-CE2 4.38Å; A358-F373 HydrophobicContact CB-CE1 3.82Å; A358-F373 HydrophobicContact CB-CZ 4.21Å; L369-F373 PolarHBondContact O-N 3.33Å; Q370-F373 PolarHBondContact O-N 3.37Å; F373-R375 VanDerWaalsContact C-N 3.27Å; F373-R375 PolarHBondContact O-N 3.42Å; F373-M376 HydrophobicContact CB-CE 4.46Å; F373-M376 HydrophobicContact CD2-CE 3.85Å; F373-M376 PolarHBondContact O-N 3.08Å; F373-M376 VanDerWaalsContact O-N 3.11Å; F373-L377 HydrophobicContact CE1-CD2 4.3Å; F373-L377 HydrophobicContact CE2-CD2 4.21Å; F373-L377 HydrophobicContact CZ-CD2 3.95Å; F373-L377 PolarHBondContact O-N 3.13Å; F373-F446 HydrophobicContact CE1-CE2 4.03Å; F373-F446 HydrophobicContact CE1-CZ 4.14Å; F373-F446 AromaticContact CZ-CE2 3.84Å; F373-F446 HydrophobicContact CZ-CE2 3.84Å; F373-F446 AromaticContact CZ-CZ 3.99Å; F373-F446 HydrophobicContact CZ-CZ 3.99Å; F373-L450 HydrophobicContact CD1-CD2 4.31Å; F373-L450 HydrophobicContact CE1-CD2 3.77Å; F373-F453 AromaticContact CD1-CE2 3.88Å; F373-F453 HydrophobicContact CD1-CE2 3.88Å; F373-F453 AromaticContact CD1-CZ 3.67Å; F373-F453 HydrophobicContact CD1-CZ 3.67Å; F373-F453 HydrophobicContact CE1-CZ 4.13Å
374L96Very high93.3Very high28 Ų2847 Ų4715%0.14725%0.249CC..Hα-helixtrans-60.9-34.5179.9-70.1170.6000112.9Q370 R371 T372 M376 L377 P378 L450 F453 A456 P458Q370-L374 WeakPolarHBondContact O-CB 3.33Å; Q370-L374 VanDerWaalsContact O-CG 3.26Å; Q370-L374 WeakPolarHBondContact O-CG 3.37Å; Q370-L374 PolarHBondContact O-N 2.9Å; R371-L374 PolarHBondContact O-N 2.86Å; T372-L374 PolarHBondContact O-N 3.41Å; L374-M376 VanDerWaalsContact C-N 3.34Å; L374-L377 HydrophobicContact CD2-CD1 4.17Å; L374-P378 WeakPolarHBondContact O-CD 3.24Å; L374-L450 HydrophobicContact CD2-CD2 4.19Å; L374-F453 HydrophobicContact CD1-CD2 4.05Å; L374-F453 HydrophobicContact CD1-CE2 4.44Å; L374-F453 HydrophobicContact CD2-CD2 4.34Å; L374-F453 HydrophobicContact CD2-CE2 4.24Å; L374-F453 HydrophobicContact CG-CD2 4.16Å; L374-F453 HydrophobicContact CG-CE2 4.06Å; L374-A456 HydrophobicContact CD1-CB 3.98Å; L374-A456 WeakPolarHBondContact CD1-O 3.33Å; L374-P458 HydrophobicContact CD1-CB 4.37Å; L374-P458 HydrophobicContact CD2-CB 3.84Å
375R94.3Very high91.6Very high185 Ų18554.8 Ų54.870%0.69829%0.285SS*.Hα-helixtrans-69.3-28.1176.8-76.7173.6-179.8163.3-0.6113.3R371 T372 F373 P378R371-R375 WeakPolarHBondContact O-CB 3.47Å; R371-R375 VanDerWaalsContact O-CG 3.27Å; R371-R375 WeakPolarHBondContact O-CG 3.2Å; R371-R375 PolarHBondContact O-N 3.14Å; T372-R375 PolarHBondContact O-N 3.28Å; F373-R375 VanDerWaalsContact C-N 3.27Å; F373-R375 PolarHBondContact O-N 3.42Å; R375-P378 WeakPolarHBondContact O-CD 3.46Å
376M94Very high90.2Very high7 Ų760 Ų603%0.03430%0.301CS..Hα-helixtrans-73.2-34.1177.7-66.6-173.1-67.600112.3F329 Q333 L342 T372 F373 L374 S379 I380F329-M376 HydrophobicContact CD1-CE 3.47Å; F329-M376 VanDerWaalsContact CD1-CE 3.47Å; F329-M376 HydrophobicContact CE1-CE 3.49Å; F329-M376 VanDerWaalsContact CE1-CE 3.49Å; Q333-M376 HydrophobicContact CB-SD 3.88Å; Q333-M376 HydrophobicContact CG-CG 4.28Å; Q333-M376 HydrophobicContact CG-SD 4.04Å; L342-M376 HydrophobicContact CD1-CE 4.37Å; L342-M376 HydrophobicContact CD1-SD 3.57Å; L342-M376 VanDerWaalsContact CD1-SD 3.57Å; T372-M376 WeakPolarHBondContact O-CG 3.49Å; T372-M376 PolarHBondContact O-N 2.88Å; F373-M376 HydrophobicContact CB-CE 4.46Å; F373-M376 HydrophobicContact CD2-CE 3.85Å; F373-M376 PolarHBondContact O-N 3.08Å; F373-M376 VanDerWaalsContact O-N 3.11Å; L374-M376 VanDerWaalsContact C-N 3.34Å; M376-S379 PolarHBondContact O-N 3.31Å; M376-S379 VanDerWaalsContact O-N 3.15Å; M376-S379 PolarHBondContact O-OG 2.82Å; M376-I380 HydrophobicContact CB-CD1 4.44Å; M376-I380 PolarHBondContact O-N 3.44Å
377L95.5Very high88.5Confident1 Ų168.3 Ų68.31%0.00533%0.326CS..Hα-helixtrans-53-48.9-171.2-60.2179.3000114.4F373 L374 S379 I380 F381 F397 F446 L450F373-L377 HydrophobicContact CE1-CD2 4.3Å; F373-L377 HydrophobicContact CE2-CD2 4.21Å; F373-L377 HydrophobicContact CZ-CD2 3.95Å; F373-L377 PolarHBondContact O-N 3.13Å; L374-L377 HydrophobicContact CD2-CD1 4.17Å; L377-S379 VanDerWaalsContact C-N 3.25Å; L377-S379 PolarHBondContact O-N 2.88Å; L377-S379 VanDerWaalsContact O-N 3.15Å; L377-I380 HydrophobicContact CD2-CD1 4.38Å; L377-I380 WeakPolarHBondContact O-CB 3.3Å; L377-I380 PolarHBondContact O-N 3.07Å; L377-F381 WeakPolarHBondContact O-CD2 3.38Å; L377-F381 PolarHBondContact O-N 3.19Å; L377-F397 HydrophobicContact CB-CZ 3.94Å; L377-F446 HydrophobicContact CD1-CE1 4.41Å; L377-F446 HydrophobicContact CD1-CZ 4.11Å; L377-F446 HydrophobicContact CD2-CE1 4.35Å; L377-F446 HydrophobicContact CD2-CZ 3.77Å; L377-L450 HydrophobicContact CD1-CD1 3.91Å; L377-L450 HydrophobicContact CD1-CD2 4.2Å
378P93.7Very high86.9Confident26 Ų2665.2 Ų65.217%0.16931%0.314CS..Hα-helixtrans-49.9-45.3179.2-30.438.1000113.7L374 R375 I380 F381 G382 Y383 F397 K460L374-P378 WeakPolarHBondContact O-CD 3.24Å; R375-P378 WeakPolarHBondContact O-CD 3.46Å; P378-I380 VanDerWaalsContact C-N 3.33Å; P378-I380 PolarHBondContact O-N 3.15Å; P378-F381 PolarHBondContact O-N 3.28Å; P378-G382 PolarHBondContact O-N 3.25Å; P378-Y383 WeakPolarHBondContact O-CB 3.29Å; P378-Y383 PolarHBondContact O-N 3.27Å; P378-F397 HydrophobicContact CG-CZ 4.41Å; P378-K460 HydrophobicContact CG-CD 3.89Å
379S91.4Very high85.5Confident51 Ų5164.8 Ų64.836%0.35732%0.315SS..Hα-helixtrans-67.1-32.9-178.373.20000113.3M376 L377 F381 G382M376-S379 PolarHBondContact O-N 3.31Å; M376-S379 VanDerWaalsContact O-N 3.15Å; M376-S379 PolarHBondContact O-OG 2.82Å; L377-S379 VanDerWaalsContact C-N 3.25Å; L377-S379 PolarHBondContact O-N 2.88Å; L377-S379 VanDerWaalsContact O-N 3.15Å; S379-F381 VanDerWaalsContact C-N 3.28Å; S379-F381 PolarHBondContact O-N 2.88Å; S379-G382 PolarHBondContact O-N 2.72Å
380I94.3Very high84.2Confident7 Ų764.9 Ų64.94%0.03632%0.317CS..Hα-helixtrans-65.6-35.1177.5-63175.7000110.8L342 I346 L354 M376 L377 P378 G382L342-I380 HydrophobicContact CB-CD1 3.91Å; L342-I380 HydrophobicContact CB-CG1 3.93Å; L342-I380 HydrophobicContact CD1-CD1 4.33Å; L342-I380 HydrophobicContact CD2-CD1 4Å; L342-I380 HydrophobicContact CG-CD1 4.32Å; I346-I380 HydrophobicContact CD1-CG2 4.48Å; I346-I380 HydrophobicContact CG1-CG2 3.82Å; L354-I380 HydrophobicContact CD1-CG2 4.46Å; L354-I380 HydrophobicContact CD2-CD1 3.92Å; M376-I380 HydrophobicContact CB-CD1 4.44Å; M376-I380 PolarHBondContact O-N 3.44Å; L377-I380 HydrophobicContact CD2-CD1 4.38Å; L377-I380 WeakPolarHBondContact O-CB 3.3Å; L377-I380 PolarHBondContact O-N 3.07Å; P378-I380 VanDerWaalsContact C-N 3.33Å; P378-I380 PolarHBondContact O-N 3.15Å; I380-G382 VanDerWaalsContact C-N 3.35Å
381F94.7Very high82.6Confident0 Ų071.1 Ų71.10%036%0.356CS..THydrogen-bonded Turntrans-91.98.1179.8-72.5-88.8000113.3I346 L354 L377 P378 S379 Y383 F397 C400 L401 M404 I405 L407I346-F381 HydrophobicContact CD1-CD1 4.3Å; I346-F381 HydrophobicContact CD1-CE1 3.6Å; I346-F381 HydrophobicContact CD1-CE2 4.31Å; I346-F381 HydrophobicContact CD1-CZ 3.6Å; I346-F381 HydrophobicContact CG1-CD1 4.25Å; I346-F381 HydrophobicContact CG1-CE1 4.04Å; I346-F381 HydrophobicContact CG1-CZ 4.25Å; L354-F381 HydrophobicContact CD1-CE2 4.28Å; L354-F381 HydrophobicContact CD1-CZ 4.28Å; L377-F381 WeakPolarHBondContact O-CD2 3.38Å; L377-F381 PolarHBondContact O-N 3.19Å; P378-F381 PolarHBondContact O-N 3.28Å; S379-F381 VanDerWaalsContact C-N 3.28Å; S379-F381 PolarHBondContact O-N 2.88Å; F381-Y383 HydrophobicContact CB-CD2 4.09Å; F381-Y383 HydrophobicContact CB-CE2 4.23Å; F381-F397 HydrophobicContact CB-CE2 4.39Å; F381-F397 HydrophobicContact CD2-CE2 4.29Å; F381-F397 HydrophobicContact CG-CE2 4.48Å; F381-C400 HydrophobicContact CB-CB 4.44Å; F381-C400 HydrophobicContact CD1-CB 3.75Å; F381-C400 HydrophobicContact CE1-CB 4.41Å; F381-C400 WeakPolarHBondContact CE1-O 3.21Å; F381-C400 HydrophobicContact CG-CB 4.36Å; F381-L401 HydrophobicContact CD1-CD2 4.4Å; F381-L401 HydrophobicContact CD2-CD2 3.72Å; F381-L401 HydrophobicContact CE1-CD2 3.97Å; F381-L401 HydrophobicContact CE2-CD2 3.24Å; F381-L401 HydrophobicContact CG-CD2 4.29Å; F381-L401 HydrophobicContact CZ-CD2 3.37Å; F381-M404 HydrophobicContact CE1-SD 4.42Å; F381-M404 HydrophobicContact CZ-SD 3.99Å; F381-I405 WeakPolarHBondContact CD1-O 3.43Å; F381-L407 WeakPolarHBondContact O-CB 3.3Å; F381-L407 PolarHBondContact O-N 3.29Å
382G90.8Very high81.3Confident42 Ų4270.5 Ų70.543%0.43337%0.366SS..THydrogen-bonded Turntrans85.714.4175.600000115.7P378 S379 I380P378-G382 PolarHBondContact O-N 3.25Å; S379-G382 PolarHBondContact O-N 2.72Å; I380-G382 VanDerWaalsContact C-N 3.35Å
383Y89.5Confident80.6Confident15 Ų1571 Ų716%0.05938%0.377CS..  trans-81.5120.6174.9-71.7-105.3000111.1P378 F381 F397 L407P378-Y383 WeakPolarHBondContact O-CB 3.29Å; P378-Y383 PolarHBondContact O-N 3.27Å; F381-Y383 HydrophobicContact CB-CD2 4.09Å; F381-Y383 HydrophobicContact CB-CE2 4.23Å; Y383-F397 HydrophobicContact CD2-CD2 4.04Å; Y383-F397 HydrophobicContact CD2-CE2 4.48Å; Y383-F397 HydrophobicContact CE1-CB 4.41Å; Y383-F397 HydrophobicContact CE2-CB 4.45Å; Y383-F397 AromaticContact CE2-CD2 3.62Å; Y383-F397 HydrophobicContact CE2-CD2 3.62Å; Y383-F397 HydrophobicContact CE2-CE2 4.42Å; Y383-F397 HydrophobicContact CE2-CG 4.5Å; Y383-F397 AromaticContact CZ-CD2 3.99Å; Y383-F397 WeakPolarHBondContact OH-CA 3.24Å; Y383-F397 PolarHBondContact OH-N 2.78Å; Y383-L407 HydrophobicContact CD1-CD2 4.17Å; Y383-L407 HydrophobicContact CD2-CB 4.4Å; Y383-L407 HydrophobicContact CD2-CD2 4.37Å; Y383-L407 HydrophobicContact CE1-CD1 4.45Å; Y383-L407 HydrophobicContact CE1-CD2 4.1Å; Y383-L407 HydrophobicContact CE2-CB 4.03Å; Y383-L407 HydrophobicContact CE2-CD1 4.34Å; Y383-L407 HydrophobicContact CE2-CD2 4.25Å; Y383-L407 HydrophobicContact CE2-CG 4.44Å; Y383-L407 HydrophobicContact CG-CD2 4.31Å
384T76.6Confident80.2Confident113 Ų11371.3 Ų71.369%0.69338%0.379SS*.  trans-88.5156.9159.160.60000109.4K386T384-K386 PolarHBondContact O-N 3.49Å
385E59.7Low80Confident210 Ų21071.1 Ų71.198%0.98138%0.378SS*.SBendtrans-45.1-14.2-166-64.4176.1167.900118.7
386K60.7Low80Confident172 Ų17262.3 Ų62.375%0.74835%0.345SS*.SBendtrans-76.6141.5174.1-64-176.5179.7-179.90111.9T384 S388T384-K386 PolarHBondContact O-N 3.49Å; K386-S388 PolarHBondContact O-N 2.89Å
387R59.8Low80.1Confident222 Ų22262.1 Ų62.184%0.83834%0.344SS*.  trans-64.6125.7170.8-73.5-175.9-178.1178.91109.3
388S60.1Low80.1Confident30 Ų3062.1 Ų62.121%0.2134%0.343CS..  trans-99.3100.6173.4-50.50000108.6K386 L407K386-S388 PolarHBondContact O-N 2.89Å; S388-L407 WeakPolarHBondContact OG-CD2 3.27Å
389L65.3Low80.2Confident105 Ų10561.2 Ų61.255%0.5534%0.337SS..BIsolated β-bridgetrans-94.7143.9173.9-67.9160.5000108.6G393L389-G393 WeakPolarHBondContact CD2-O 2.99Å
390S67.1Low80.5Confident19 Ų1958.8 Ų58.813%0.13332%0.32CS..  trans-66.3170.2165.567.70000110.9S392 G393 E394S390-S392 PolarHBondContact O-N 3.03Å; S390-S392 PolarHBondContact OG-N 2.85Å; S390-S392 PolarHBondContact OG-OG 3.45Å; S390-G393 PolarHBondContact O-N 3.27Å; S390-G393 PolarHBondContact OG-N 2.89Å; S390-E394 PolarHBondContact N-O 3.31Å; S390-E394 WeakPolarHBondContact OG-CB 3.48Å; S390-E394 PolarHBondContact OG-N 3.39Å; S390-E394 PolarHBondContact OG-O 3.05Å
391T63.3Low80.7Confident133 Ų13358.4 Ų58.482%0.81632%0.318SS*.THydrogen-bonded Turntrans-57.1-26.916950.70000113G393T391-G393 VanDerWaalsContact C-N 3.35Å
392S67.6Low80.8Confident81 Ų8158.5 Ų58.557%0.56632%0.318SS*.THydrogen-bonded Turntrans-84.9-0175.954.80000114.6S390 E394S390-S392 PolarHBondContact O-N 3.03Å; S390-S392 PolarHBondContact OG-N 2.85Å; S390-S392 PolarHBondContact OG-OG 3.45Å; S392-E394 VanDerWaalsContact C-N 3.3Å; S392-E394 WeakPolarHBondContact OG-CG 3.31Å
393G81.1Confident81.1Confident43 Ų4356.6 Ų56.644%0.44330%0.299SS..SBendtrans77.610-176.300000114.7L389 S390 T391L389-G393 WeakPolarHBondContact CD2-O 2.99Å; S390-G393 PolarHBondContact O-N 3.27Å; S390-G393 PolarHBondContact OG-N 2.89Å; T391-G393 VanDerWaalsContact C-N 3.35Å
394E87.9Confident81.5Confident8 Ų855.9 Ų55.94%0.03730%0.296CS..  trans-79.4130.9173.8-59.1178.6148.200109.4S390 S392 L396 R399 S469 R472S390-E394 PolarHBondContact N-O 3.31Å; S390-E394 WeakPolarHBondContact OG-CB 3.48Å; S390-E394 PolarHBondContact OG-N 3.39Å; S390-E394 PolarHBondContact OG-O 3.05Å; S392-E394 VanDerWaalsContact C-N 3.3Å; S392-E394 WeakPolarHBondContact OG-CG 3.31Å; E394-L396 PolarHBondContact O-N 2.99Å; E394-R399 IonicContact OE2-NH1 2.65Å; E394-S469 WeakPolarHBondContact OE1-CB 3.3Å; E394-S469 PolarHBondContact OE1-N 3.26Å; E394-S469 PolarHBondContact OE1-OG 3.13Å; E394-R472 IonicContact OE1-NE 2.73Å; E394-R472 IonicContact OE2-CZ 2.9Å; E394-R472 IonicContact OE2-NE 3.74Å; E394-R472 PolarHBondContact OE2-NE 3.47Å
395D92.6Very high82.4Confident23 Ų2352 Ų5212%0.12327%0.27CS..BIsolated β-bridgetrans-71.3124.4167.8-179.6-16.4000108.9F397 S464 S467 Q468D395-F397 VanDerWaalsContact C-N 3.29Å; D395-F397 PolarHBondContact O-N 3.02Å; D395-F397 WeakPolarHBondContact OD1-CB 3.43Å; D395-F397 PolarHBondContact OD1-N 2.84Å; D395-S464 PolarHBondContact O-OG 3.03Å; D395-S467 WeakPolarHBondContact CB-OG 3.27Å; D395-S467 PolarHBondContact N-OG 2.93Å; D395-Q468 PolarHBondContact O-NE2 2.9Å
396L94Very high84.1Confident1 Ų143 Ų431%0.00523%0.231CC..SBendtrans-79-5.1-172.8-64.9-179.6000114.5E394 I398 R399 C400 L407 L410 N411 I414E394-L396 PolarHBondContact O-N 2.99Å; L396-I398 PolarHBondContact O-N 2.82Å; L396-R399 WeakPolarHBondContact O-CB 3.24Å; L396-R399 PolarHBondContact O-N 3.46Å; L396-R399 VanDerWaalsContact O-N 3.11Å; L396-C400 PolarHBondContact O-N 2.61Å; L396-C400 PolarHBondContact O-SG 2.88Å; L396-C400 VanDerWaalsContact O-SG 3.36Å; L396-L407 HydrophobicContact CB-CD1 4.2Å; L396-L407 HydrophobicContact CD1-CD1 3.99Å; L396-L410 HydrophobicContact CB-CD2 3.87Å; L396-L410 HydrophobicContact CD1-CD2 4.45Å; L396-L410 HydrophobicContact CD2-CD2 4.26Å; L396-L410 HydrophobicContact CG-CD2 4.43Å; L396-N411 WeakPolarHBondContact CD1-OD1 3.41Å; L396-I414 HydrophobicContact CD1-CD1 4.2Å; L396-I414 HydrophobicContact CD2-CD1 3.88Å
397F95.7Very high85.6Confident3 Ų335.3 Ų35.31%0.01320%0.198CC..Hα-helixtrans-63.3-45.6-168.7-175.4-126.4000113.1L377 P378 F381 Y383 D395 R399 C400 L401 K460 V461 S464L377-F397 HydrophobicContact CB-CZ 3.94Å; P378-F397 HydrophobicContact CG-CZ 4.41Å; F381-F397 HydrophobicContact CB-CE2 4.39Å; F381-F397 HydrophobicContact CD2-CE2 4.29Å; F381-F397 HydrophobicContact CG-CE2 4.48Å; Y383-F397 HydrophobicContact CD2-CD2 4.04Å; Y383-F397 HydrophobicContact CD2-CE2 4.48Å; Y383-F397 HydrophobicContact CE1-CB 4.41Å; Y383-F397 HydrophobicContact CE2-CB 4.45Å; Y383-F397 AromaticContact CE2-CD2 3.62Å; Y383-F397 HydrophobicContact CE2-CD2 3.62Å; Y383-F397 HydrophobicContact CE2-CE2 4.42Å; Y383-F397 HydrophobicContact CE2-CG 4.5Å; Y383-F397 AromaticContact CZ-CD2 3.99Å; Y383-F397 WeakPolarHBondContact OH-CA 3.24Å; Y383-F397 PolarHBondContact OH-N 2.78Å; D395-F397 VanDerWaalsContact C-N 3.29Å; D395-F397 PolarHBondContact O-N 3.02Å; D395-F397 WeakPolarHBondContact OD1-CB 3.43Å; D395-F397 PolarHBondContact OD1-N 2.84Å; F397-R399 PolarHBondContact O-N 2.8Å; F397-C400 WeakPolarHBondContact O-CB 3.17Å; F397-C400 PolarHBondContact O-N 2.81Å; F397-C400 VanDerWaalsContact O-N 3.14Å; F397-L401 HydrophobicContact CD1-CD1 4.21Å; F397-L401 HydrophobicContact CE1-CD1 3.86Å; F397-L401 HydrophobicContact CE1-CG 4.39Å; F397-L401 HydrophobicContact CE2-CD2 4Å; F397-L401 HydrophobicContact CE2-CG 4.28Å; F397-L401 HydrophobicContact CZ-CD1 4.06Å; F397-L401 HydrophobicContact CZ-CD2 3.98Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.45Å; F397-L401 PolarHBondContact O-N 3.32Å; F397-K460 HydrophobicContact CD1-CB 4.28Å; F397-K460 HydrophobicContact CD1-CD 3.83Å; F397-K460 HydrophobicContact CD1-CG 3.71Å; F397-K460 HydrophobicContact CE1-CB 4.22Å; F397-K460 HydrophobicContact CE1-CD 3.89Å; F397-K460 HydrophobicContact CE1-CG 4.02Å; F397-K460 HydrophobicContact CG-CD 4.31Å; F397-K460 HydrophobicContact CG-CG 4.46Å; F397-K460 HydrophobicContact CZ-CD 4.44Å; F397-V461 HydrophobicContact CD1-CG2 4.41Å; F397-V461 HydrophobicContact CE1-CG2 3.86Å; F397-S464 PolarHBondContact N-OG 3.27Å
398I96.6Very high87.1Confident0 Ų029.9 Ų29.90%019%0.185CC..Hα-helixtrans-59.4-36.7176.5-169.964.8000111.6L396 L401 V402 V447 V461 S464 L465 Q468 W476L396-I398 PolarHBondContact O-N 2.82Å; I398-L401 PolarHBondContact O-N 3.13Å; I398-V402 HydrophobicContact CD1-CG1 4.41Å; I398-V402 HydrophobicContact CG1-CG1 4.46Å; I398-V402 WeakPolarHBondContact O-CG2 3.44Å; I398-V402 PolarHBondContact O-N 3.01Å; I398-V447 HydrophobicContact CD1-CG1 3.92Å; I398-V447 HydrophobicContact CD1-CG2 4.36Å; I398-V461 HydrophobicContact CD1-CG1 3.61Å; I398-S464 WeakPolarHBondContact CB-OG 3.45Å; I398-S464 WeakPolarHBondContact CG2-OG 3.37Å; I398-S464 PolarHBondContact N-OG 3.04Å; I398-L465 HydrophobicContact CD1-CB 4.42Å; I398-L465 HydrophobicContact CD1-CD1 4.39Å; I398-L465 HydrophobicContact CG1-CB 4.15Å; I398-L465 HydrophobicContact CG1-CD1 4.5Å; I398-Q468 HydrophobicContact CG2-CG 4.05Å; I398-W476 HydrophobicContact CG1-CH2 3.81Å; I398-W476 HydrophobicContact CG1-CZ3 3.84Å; I398-W476 HydrophobicContact CG2-CH2 3.98Å
399R96.1Very high88.7Confident7 Ų732.2 Ų32.23%0.02619%0.193CC..Hα-helixtrans-66.9-40.7177.7-65176.264-176.21.5111E394 L396 F397 L401 G403 L410 W476E394-R399 IonicContact OE2-NH1 2.65Å; L396-R399 WeakPolarHBondContact O-CB 3.24Å; L396-R399 PolarHBondContact O-N 3.46Å; L396-R399 VanDerWaalsContact O-N 3.11Å; F397-R399 PolarHBondContact O-N 2.8Å; R399-L401 VanDerWaalsContact C-N 3.33Å; R399-L401 PolarHBondContact O-N 2.89Å; R399-G403 PolarHBondContact O-N 3.36Å; R399-L410 HydrophobicContact CB-CD1 4.44Å; R399-L410 HydrophobicContact CB-CD2 3.67Å; R399-W476 HydrophobicContact CG-CZ2 4.2Å
400C96.7Very high90.1Very high0 Ų027.2 Ų27.20%017%0.167CC..Hα-helixtrans-60.1-43.8171.6-61.10000111.4F381 L396 F397 M404 I405 L410F381-C400 HydrophobicContact CB-CB 4.44Å; F381-C400 HydrophobicContact CD1-CB 3.75Å; F381-C400 HydrophobicContact CE1-CB 4.41Å; F381-C400 WeakPolarHBondContact CE1-O 3.21Å; F381-C400 HydrophobicContact CG-CB 4.36Å; L396-C400 PolarHBondContact O-N 2.61Å; L396-C400 PolarHBondContact O-SG 2.88Å; L396-C400 VanDerWaalsContact O-SG 3.36Å; F397-C400 WeakPolarHBondContact O-CB 3.17Å; F397-C400 PolarHBondContact O-N 2.81Å; F397-C400 VanDerWaalsContact O-N 3.14Å; C400-M404 VanDerWaalsContact O-CA 3.28Å; C400-M404 WeakPolarHBondContact O-CA 3.3Å; C400-M404 PolarHBondContact O-N 2.97Å; C400-I405 WeakPolarHBondContact CB-O 3.06Å; C400-I405 PolarHBondContact O-N 3.25Å; C400-L410 WeakPolarHBondContact SG-CD2 3.46Å
401L97.8Very high91.2Very high0 Ų029.5 Ų29.50%018%0.178CC..Hα-helixtrans-66.6-48.4-178.6-64.2-176.4000113F381 F397 I398 R399 G403 M404 G443 F446 V447 L450 V461F381-L401 HydrophobicContact CD1-CD2 4.4Å; F381-L401 HydrophobicContact CD2-CD2 3.72Å; F381-L401 HydrophobicContact CE1-CD2 3.97Å; F381-L401 HydrophobicContact CE2-CD2 3.24Å; F381-L401 HydrophobicContact CG-CD2 4.29Å; F381-L401 HydrophobicContact CZ-CD2 3.37Å; F397-L401 HydrophobicContact CD1-CD1 4.21Å; F397-L401 HydrophobicContact CE1-CD1 3.86Å; F397-L401 HydrophobicContact CE1-CG 4.39Å; F397-L401 HydrophobicContact CE2-CD2 4Å; F397-L401 HydrophobicContact CE2-CG 4.28Å; F397-L401 HydrophobicContact CZ-CD1 4.06Å; F397-L401 HydrophobicContact CZ-CD2 3.98Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.45Å; F397-L401 PolarHBondContact O-N 3.32Å; I398-L401 PolarHBondContact O-N 3.13Å; R399-L401 VanDerWaalsContact C-N 3.33Å; R399-L401 PolarHBondContact O-N 2.89Å; L401-G403 VanDerWaalsContact C-N 3.32Å; L401-M404 PolarHBondContact O-N 2.84Å; L401-G443 VanDerWaalsContact O-CA 3.23Å; L401-G443 WeakPolarHBondContact O-CA 3.19Å; L401-F446 HydrophobicContact CD2-CE1 4.13Å; L401-V447 HydrophobicContact CB-CG2 3.59Å; L401-V447 HydrophobicContact CD1-CG2 4.22Å; L401-L450 HydrophobicContact CD1-CD1 4.22Å; L401-V461 HydrophobicContact CD1-CB 4.4Å; L401-V461 HydrophobicContact CD1-CG1 3.96Å; L401-V461 HydrophobicContact CD1-CG2 3.7Å
402V97.9Very high92.6Very high1 Ų129 Ų291%0.00617%0.166CC..Hα-helixtrans-71.6-29.2-179.5-59.20000112.2I398 I440 V447 W476 L482 V485I398-V402 HydrophobicContact CD1-CG1 4.41Å; I398-V402 HydrophobicContact CG1-CG1 4.46Å; I398-V402 WeakPolarHBondContact O-CG2 3.44Å; I398-V402 PolarHBondContact O-N 3.01Å; V402-I440 PolarHBondContact O-N 3.42Å; V402-V447 HydrophobicContact CG1-CG2 4.05Å; V402-W476 HydrophobicContact CG1-CH2 4.32Å; V402-W476 HydrophobicContact CG1-CZ3 4.44Å; V402-W476 HydrophobicContact CG2-CH2 3.94Å; V402-W476 HydrophobicContact CG2-CZ2 4.23Å; V402-L482 HydrophobicContact CB-CD2 3.87Å; V402-L482 HydrophobicContact CG1-CD2 3.9Å; V402-L482 HydrophobicContact CG2-CD2 3.94Å; V402-V485 HydrophobicContact CG1-CG2 4.38Å
403G97.1Very high93.6Very high2 Ų228.1 Ų28.12%0.02115%0.153CC..Hα-helixtrans-80.5-20.5172.900000113.9R399 L401 I405 P438R399-G403 PolarHBondContact O-N 3.36Å; L401-G403 VanDerWaalsContact C-N 3.32Å; G403-I405 VanDerWaalsContact C-N 3.25Å; G403-I405 PolarHBondContact O-N 3.21Å; G403-P438 WeakPolarHBondContact CA-O 3.41Å
404M97.2Very high93.9Very high1 Ų126.9 Ų26.91%0.00514%0.136CC..THydrogen-bonded Turntrans48.148.8-167.2-71.2-79.5-177.700112.5I346 Y351 L354 F381 C400 L401 I440 F446I346-M404 HydrophobicContact CD1-SD 3.9Å; I346-M404 WeakPolarHBondContact CG2-O 3.49Å; Y351-M404 HydrophobicContact CD1-CB 3.75Å; Y351-M404 HydrophobicContact CD1-CG 4Å; Y351-M404 HydrophobicContact CD1-SD 3.8Å; Y351-M404 HydrophobicContact CD2-CB 4.37Å; Y351-M404 HydrophobicContact CD2-CG 4.5Å; Y351-M404 HydrophobicContact CE1-CB 3.52Å; Y351-M404 HydrophobicContact CE1-CG 4.29Å; Y351-M404 WeakPolarHBondContact CE1-O 3.44Å; Y351-M404 HydrophobicContact CE1-SD 4.46Å; Y351-M404 HydrophobicContact CE2-CB 4.18Å; Y351-M404 HydrophobicContact CG-CB 4.16Å; Y351-M404 HydrophobicContact CG-CG 4.09Å; Y351-M404 HydrophobicContact CG-SD 4.13Å; Y351-M404 PolarHBondContact OH-O 3.42Å; L354-M404 HydrophobicContact CD1-CE 4.49Å; L354-M404 HydrophobicContact CD1-SD 4.24Å; F381-M404 HydrophobicContact CE1-SD 4.42Å; F381-M404 HydrophobicContact CZ-SD 3.99Å; C400-M404 VanDerWaalsContact O-CA 3.28Å; C400-M404 WeakPolarHBondContact O-CA 3.3Å; C400-M404 PolarHBondContact O-N 2.97Å; L401-M404 PolarHBondContact O-N 2.84Å; M404-I440 HydrophobicContact CB-CD1 3.55Å; M404-I440 HydrophobicContact CB-CG1 4.07Å; M404-I440 HydrophobicContact CG-CD1 3.85Å; M404-I440 HydrophobicContact CG-CG1 4.14Å; M404-F446 HydrophobicContact CE-CB 3.3Å; M404-F446 HydrophobicContact CE-CD1 3.39Å; M404-F446 HydrophobicContact CE-CD2 4.4Å; M404-F446 HydrophobicContact CE-CE1 4.31Å; M404-F446 HydrophobicContact CE-CG 3.44Å; M404-F446 VanDerWaalsContact CE-CG 3.44Å
405I95.9Very high93.8Very high30 Ų3030.5 Ų30.515%0.15416%0.159CC..  trans-126.9153.2177.861.9165.9000110F381 C400 G403 E409 L410 P438F381-I405 WeakPolarHBondContact CD1-O 3.43Å; C400-I405 WeakPolarHBondContact CB-O 3.06Å; C400-I405 PolarHBondContact O-N 3.25Å; G403-I405 VanDerWaalsContact C-N 3.25Å; G403-I405 PolarHBondContact O-N 3.21Å; I405-E409 HydrophobicContact CB-CB 4.27Å; I405-E409 HydrophobicContact CD1-CB 4.48Å; I405-L410 HydrophobicContact CD1-CB 3.57Å; I405-L410 HydrophobicContact CD1-CD1 3.93Å; I405-L410 HydrophobicContact CD1-CG 4.29Å; I405-L410 HydrophobicContact CG1-CB 4.19Å; I405-P438 HydrophobicContact CD1-CB 4.13Å; I405-P438 HydrophobicContact CD1-CG 3.25Å; I405-P438 HydrophobicContact CG1-CG 4.08Å
406S94.6Very high93.4Very high23 Ų2334 Ų3416%0.16118%0.178CC..  trans-68.5159.9175.966.40000111.7N408 E409 L410S406-N408 PolarHBondContact O-N 2.8Å; S406-E409 WeakPolarHBondContact CB-OE2 3.47Å; S406-E409 PolarHBondContact N-OE2 3.24Å; S406-E409 PolarHBondContact O-N 3.2Å; S406-E409 VanDerWaalsContact OG-CD 3.26Å; S406-E409 VanDerWaalsContact OG-CG 3.25Å; S406-E409 WeakPolarHBondContact OG-CG 3.49Å; S406-E409 PolarHBondContact OG-N 3.16Å; S406-E409 PolarHBondContact OG-OE2 2.91Å; S406-L410 PolarHBondContact O-N 2.95Å
407L93.7Very high92.7Very high10 Ų1035.3 Ų35.35%0.05219%0.186CC..Hα-helixtrans-57-38.1175.2176.960.3000112.2F381 Y383 S388 L396 L410 N411F381-L407 WeakPolarHBondContact O-CB 3.3Å; F381-L407 PolarHBondContact O-N 3.29Å; Y383-L407 HydrophobicContact CD1-CD2 4.17Å; Y383-L407 HydrophobicContact CD2-CB 4.4Å; Y383-L407 HydrophobicContact CD2-CD2 4.37Å; Y383-L407 HydrophobicContact CE1-CD1 4.45Å; Y383-L407 HydrophobicContact CE1-CD2 4.1Å; Y383-L407 HydrophobicContact CE2-CB 4.03Å; Y383-L407 HydrophobicContact CE2-CD1 4.34Å; Y383-L407 HydrophobicContact CE2-CD2 4.25Å; Y383-L407 HydrophobicContact CE2-CG 4.44Å; Y383-L407 HydrophobicContact CG-CD2 4.31Å; S388-L407 WeakPolarHBondContact OG-CD2 3.27Å; L396-L407 HydrophobicContact CB-CD1 4.2Å; L396-L407 HydrophobicContact CD1-CD1 3.99Å; L407-L410 PolarHBondContact O-N 3.37Å; L407-N411 PolarHBondContact O-N 3.42Å; L407-N411 PolarHBondContact O-ND2 3.49Å
408N91.9Very high91.7Very high107 Ų10738.9 Ų38.957%0.57220%0.203SC*.Hα-helixtrans-65.1-50178.9-68.5-6.7000111.1S406 L410 N411 E412S406-N408 PolarHBondContact O-N 2.8Å; N408-L410 VanDerWaalsContact C-N 3.26Å; N408-L410 PolarHBondContact O-N 2.91Å; N408-N411 PolarHBondContact O-N 3.42Å; N408-N411 VanDerWaalsContact O-N 3.17Å; N408-E412 WeakPolarHBondContact O-CG 3.25Å; N408-E412 PolarHBondContact O-N 3.2Å
409E93.2Very high90.5Very high80 Ų8041.2 Ų41.237%0.37422%0.219SC..Hα-helixtrans-60.8-35.9176.8-69.9164.1146.600111.9I405 S406 H413I405-E409 HydrophobicContact CB-CB 4.27Å; I405-E409 HydrophobicContact CD1-CB 4.48Å; S406-E409 WeakPolarHBondContact CB-OE2 3.47Å; S406-E409 PolarHBondContact N-OE2 3.24Å; S406-E409 PolarHBondContact O-N 3.2Å; S406-E409 VanDerWaalsContact OG-CD 3.26Å; S406-E409 VanDerWaalsContact OG-CG 3.25Å; S406-E409 WeakPolarHBondContact OG-CG 3.49Å; S406-E409 PolarHBondContact OG-N 3.16Å; S406-E409 PolarHBondContact OG-OE2 2.91Å; E409-H413 WeakPolarHBondContact O-CB 3.42Å; E409-H413 PolarHBondContact O-N 2.92Å
410L93.6Very high89Confident0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-67.4-42.4176.3179.459.7000111.7L396 R399 C400 I405 S406 L407 N408 H413 I414 P438L396-L410 HydrophobicContact CB-CD2 3.87Å; L396-L410 HydrophobicContact CD1-CD2 4.45Å; L396-L410 HydrophobicContact CD2-CD2 4.26Å; L396-L410 HydrophobicContact CG-CD2 4.43Å; R399-L410 HydrophobicContact CB-CD1 4.44Å; R399-L410 HydrophobicContact CB-CD2 3.67Å; C400-L410 WeakPolarHBondContact SG-CD2 3.46Å; I405-L410 HydrophobicContact CD1-CB 3.57Å; I405-L410 HydrophobicContact CD1-CD1 3.93Å; I405-L410 HydrophobicContact CD1-CG 4.29Å; I405-L410 HydrophobicContact CG1-CB 4.19Å; S406-L410 PolarHBondContact O-N 2.95Å; L407-L410 PolarHBondContact O-N 3.37Å; N408-L410 VanDerWaalsContact C-N 3.26Å; N408-L410 PolarHBondContact O-N 2.91Å; L410-H413 WeakPolarHBondContact O-CB 3.43Å; L410-H413 PolarHBondContact O-N 3.13Å; L410-I414 HydrophobicContact CD1-CD1 4.13Å; L410-I414 HydrophobicContact CD1-CG1 4.29Å; L410-I414 HydrophobicContact CG-CD1 3.96Å; L410-I414 VanDerWaalsContact O-CG1 3.28Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 3.49Å; L410-P438 HydrophobicContact CD1-CG 3.8Å
411N91.6Very high87.2Confident66 Ų6648.9 Ų48.935%0.35326%0.257SS..Hα-helixtrans-63-43.8176.7-74.4-33.9000111.1L396 L407 N408 H413 I414 T415L396-N411 WeakPolarHBondContact CD1-OD1 3.41Å; L407-N411 PolarHBondContact O-N 3.42Å; L407-N411 PolarHBondContact O-ND2 3.49Å; N408-N411 PolarHBondContact O-N 3.42Å; N408-N411 VanDerWaalsContact O-N 3.17Å; N411-H413 VanDerWaalsContact C-N 3.32Å; N411-H413 PolarHBondContact O-N 3.29Å; N411-I414 PolarHBondContact O-N 3.03Å; N411-T415 PolarHBondContact O-N 3.46Å; N411-T415 PolarHBondContact O-OG1 2.96Å; N411-T415 VanDerWaalsContact O-OG1 3.11Å
412E91.1Very high85.4Confident122 Ų12256 Ų5657%0.5729%0.291SS*.Hα-helixtrans-58.3-44.2173.6-71.3174.2-172.100111.7N408 I414 T415 N416N408-E412 WeakPolarHBondContact O-CG 3.25Å; N408-E412 PolarHBondContact O-N 3.2Å; E412-I414 PolarHBondContact O-N 3.17Å; E412-T415 PolarHBondContact O-N 3.4Å; E412-N416 WeakPolarHBondContact O-CB 3.35Å; E412-N416 PolarHBondContact O-N 3.14Å; E412-N416 PolarHBondContact O-ND2 2.88Å
413H89.1Confident83.5Confident63 Ų6364.6 Ų64.629%0.29233%0.328SS..Hα-helixtrans-59.6-45175.4-175.5-65.1000111.9E409 L410 N411 N416 S417E409-H413 WeakPolarHBondContact O-CB 3.42Å; E409-H413 PolarHBondContact O-N 2.92Å; L410-H413 WeakPolarHBondContact O-CB 3.43Å; L410-H413 PolarHBondContact O-N 3.13Å; N411-H413 VanDerWaalsContact C-N 3.32Å; N411-H413 PolarHBondContact O-N 3.29Å; H413-N416 PolarHBondContact O-N 3.45Å; H413-S417 PolarHBondContact O-N 2.96Å; H413-S417 PolarHBondContact O-OG 3.37Å; H413-S417 VanDerWaalsContact O-OG 3.08Å
414I87.5Confident81.5Confident17 Ų1767.5 Ų67.59%0.08734%0.343CS..Hα-helixtrans-63.9-46.1179.6-68.1164.6000110.8L396 L410 N411 E412 N416 S417 Q418L396-I414 HydrophobicContact CD1-CD1 4.2Å; L396-I414 HydrophobicContact CD2-CD1 3.88Å; L410-I414 HydrophobicContact CD1-CD1 4.13Å; L410-I414 HydrophobicContact CD1-CG1 4.29Å; L410-I414 HydrophobicContact CG-CD1 3.96Å; L410-I414 VanDerWaalsContact O-CG1 3.28Å; L410-I414 WeakPolarHBondContact O-CG1 3.34Å; L410-I414 PolarHBondContact O-N 3.49Å; N411-I414 PolarHBondContact O-N 3.03Å; E412-I414 PolarHBondContact O-N 3.17Å; I414-N416 VanDerWaalsContact C-N 3.34Å; I414-N416 PolarHBondContact O-N 3.06Å; I414-S417 PolarHBondContact O-N 3.41Å; I414-Q418 WeakPolarHBondContact O-CG 3.19Å; I414-Q418 PolarHBondContact O-N 3.36Å
415T86.1Confident79.4Confident85 Ų8574 Ų7452%0.52138%0.378SS..Hα-helixtrans-62.2-42.4178.7-58.40000111.5N411 E412 Q418 S419N411-T415 PolarHBondContact O-N 3.46Å; N411-T415 PolarHBondContact O-OG1 2.96Å; N411-T415 VanDerWaalsContact O-OG1 3.11Å; E412-T415 PolarHBondContact O-N 3.4Å; T415-Q418 PolarHBondContact O-N 2.9Å; T415-S419 PolarHBondContact O-N 3.34Å
416N84.1Confident77.1Confident97 Ų9780.4 Ų80.452%0.51941%0.413SS..Hα-helixtrans-63.5-44.1177.3-70.8-22.8000111.6E412 H413 I414 Q418 S419 I420E412-N416 WeakPolarHBondContact O-CB 3.35Å; E412-N416 PolarHBondContact O-N 3.14Å; E412-N416 PolarHBondContact O-ND2 2.88Å; H413-N416 PolarHBondContact O-N 3.45Å; I414-N416 VanDerWaalsContact C-N 3.34Å; I414-N416 PolarHBondContact O-N 3.06Å; N416-Q418 VanDerWaalsContact C-N 3.34Å; N416-Q418 PolarHBondContact O-N 3.32Å; N416-S419 PolarHBondContact O-N 3.24Å; N416-S419 PolarHBondContact O-OG 2.92Å; N416-I420 WeakPolarHBondContact O-CG1 3.43Å; N416-I420 PolarHBondContact O-N 2.75Å
417S79.1Confident74.6Confident27 Ų2785.7 Ų85.719%0.18944%0.435CS..Hα-helixtrans-62-38.2176.7-62.80000113H413 I414 Q421H413-S417 PolarHBondContact O-N 2.96Å; H413-S417 PolarHBondContact O-OG 3.37Å; H413-S417 VanDerWaalsContact O-OG 3.08Å; I414-S417 PolarHBondContact O-N 3.41Å; S417-Q421 WeakPolarHBondContact O-CG 3.26Å; S417-Q421 PolarHBondContact O-N 3.12Å
418Q75.1Confident72.1Confident78 Ų7895.1 Ų95.136%0.36448%0.478SS..Hα-helixtrans-67-42.2176.2-72.6171.8-13.200112I414 T415 N416 I420 Q421 E422I414-Q418 WeakPolarHBondContact O-CG 3.19Å; I414-Q418 PolarHBondContact O-N 3.36Å; T415-Q418 PolarHBondContact O-N 2.9Å; N416-Q418 VanDerWaalsContact C-N 3.34Å; N416-Q418 PolarHBondContact O-N 3.32Å; Q418-I420 VanDerWaalsContact C-N 3.26Å; Q418-I420 PolarHBondContact O-N 3.29Å; Q418-Q421 PolarHBondContact O-N 3.45Å; Q418-Q421 VanDerWaalsContact O-N 3.17Å; Q418-E422 PolarHBondContact O-N 3.39Å
419S70.3Confident69.6Low49 Ų4995.1 Ų95.134%0.34347%0.473SS..Hα-helixtrans-64.7-27.9179.974.50000114.1T415 N416T415-S419 PolarHBondContact O-N 3.34Å; N416-S419 PolarHBondContact O-N 3.24Å; N416-S419 PolarHBondContact O-OG 2.92Å
420I65.6Low67.4Low87 Ų8796 Ų9645%0.44648%0.48SS..Hα-helixtrans-73.6-40.9175.8-66.4166.3000109.9N416 Q418 E422 K423 D424N416-I420 WeakPolarHBondContact O-CG1 3.43Å; N416-I420 PolarHBondContact O-N 2.75Å; Q418-I420 VanDerWaalsContact C-N 3.26Å; Q418-I420 PolarHBondContact O-N 3.29Å; I420-E422 VanDerWaalsContact C-N 3.33Å; I420-E422 PolarHBondContact O-N 2.89Å; I420-K423 PolarHBondContact O-N 2.92Å; I420-D424 PolarHBondContact O-N 3.12Å
421Q58.7Low65.7Low81 Ų81100 Ų10038%0.37950%0.502SS..Hα-helixtrans-63.6-36.1179.1-70.7177.20.600112.7S417 Q418 K423S417-Q421 WeakPolarHBondContact O-CG 3.26Å; S417-Q421 PolarHBondContact O-N 3.12Å; Q418-Q421 PolarHBondContact O-N 3.45Å; Q418-Q421 VanDerWaalsContact O-N 3.17Å; Q421-K423 VanDerWaalsContact C-N 3.3Å; Q421-K423 PolarHBondContact O-N 3.46Å
422E60.1Low64.3Low151 Ų151102.4 Ų102.471%0.70651%0.509SS*.Hα-helixtrans-70.3-25.1178.8-70.1-179.4171.900113.5Q418 I420 N425Q418-E422 PolarHBondContact O-N 3.39Å; I420-E422 VanDerWaalsContact C-N 3.33Å; I420-E422 PolarHBondContact O-N 2.89Å; E422-N425 PolarHBondContact O-ND2 3.36Å
423K58.8Low63.5Low181 Ų181102.8 Ų102.879%0.78751%0.511SS*.Hα-helixtrans-87.6-28.4-178.9-70.9-179.9-179.6176.90113.3I420 Q421I420-K423 PolarHBondContact O-N 2.92Å; Q421-K423 VanDerWaalsContact C-N 3.3Å; Q421-K423 PolarHBondContact O-N 3.46Å
424D55.1Low63.2Low62 Ų62101.6 Ų101.633%0.33251%0.507SS..  trans-102.842.7-177.3-84.8-26.9000113.5I420 N426 Q427 F429I420-D424 PolarHBondContact O-N 3.12Å; D424-N426 PolarHBondContact O-N 3.15Å; D424-Q427 PolarHBondContact O-N 2.95Å; D424-F429 HydrophobicContact CB-CD2 4.29Å; D424-F429 WeakPolarHBondContact OD2-CE2 3.33Å
425N51.5Low63.4Low138 Ų138101.5 Ų101.574%0.73851%0.506SS*.THydrogen-bonded Turntrans-57.8-4.1174.2-81.3-31.8000114.7E422E422-N425 PolarHBondContact O-ND2 3.36Å
426N48.2Very low63.7Low165 Ų16598.5 Ų98.588%0.88249%0.488SS*.THydrogen-bonded Turntrans-1166.5178.7-72.6-24.1000114.8D424D424-N426 PolarHBondContact O-N 3.15Å
427Q42.2Very low64.1Low134 Ų13496.7 Ų96.763%0.62648%0.478SS*.SBendtrans-128.9130173-70.4-172.92.700110.7D424 F429D424-Q427 PolarHBondContact O-N 2.95Å; Q427-F429 PolarHBondContact O-N 2.82Å
428H40.7Very low64.9Low208 Ų20896.2 Ų96.296%0.96348%0.475SS*.  trans-63.174.8172.6-106.4-62.6000110.2D430H428-D430 PolarHBondContact O-N 3.32Å
429F39.1Very low65.9Low107 Ų10793.5 Ų93.547%0.46946%0.463SS..  trans-65.8120.2166.8-110.6-87.5000107.5D424 Q427 N431D424-F429 HydrophobicContact CB-CD2 4.29Å; D424-F429 WeakPolarHBondContact OD2-CE2 3.33Å; Q427-F429 PolarHBondContact O-N 2.82Å; F429-N431 PolarHBondContact O-N 3.44Å
430D48.8Very low67.1Low97 Ų9793.8 Ų93.852%0.51946%0.46SS..  trans-63.9102.5-179.1-159.60.6000107.7H428 K432 E433H428-D430 PolarHBondContact O-N 3.32Å; D430-K432 PolarHBondContact O-N 2.85Å; D430-K432 WeakPolarHBondContact OD1-CE 3.42Å; D430-K432 WeakPolarHBondContact OD1-CG 3.43Å; D430-K432 IonicContact OD1-NZ 3.34Å; D430-K432 PolarHBondContact OD1-NZ 3.37Å; D430-K432 IonicContact OD2-NZ 3.26Å; D430-K432 PolarHBondContact OD2-NZ 2.92Å; D430-E433 PolarHBondContact O-N 3.23Å
431N56.1Low68.6Low85 Ų8593.2 Ų93.246%0.45546%0.461SS..THydrogen-bonded Turntrans-49.1-1.6178.1-89.2-37.1000114.9F429 L435F429-N431 PolarHBondContact O-N 3.44Å; N431-L435 WeakPolarHBondContact O-CD1 3.29Å; N431-L435 VanDerWaalsContact O-CG 3.31Å; N431-L435 WeakPolarHBondContact O-CG 3.48Å
432K63.4Low70.3Confident116 Ų11691.8 Ų91.850%0.50446%0.46SS..Hα-helixtrans-77-30-178.7-67.1-179.6-160.3132.80113.7D430 L435 V436D430-K432 PolarHBondContact O-N 2.85Å; D430-K432 WeakPolarHBondContact OD1-CE 3.42Å; D430-K432 WeakPolarHBondContact OD1-CG 3.43Å; D430-K432 IonicContact OD1-NZ 3.34Å; D430-K432 PolarHBondContact OD1-NZ 3.37Å; D430-K432 IonicContact OD2-NZ 3.26Å; D430-K432 PolarHBondContact OD2-NZ 2.92Å; K432-L435 WeakPolarHBondContact O-CB 3.15Å; K432-L435 PolarHBondContact O-N 3.29Å; K432-V436 PolarHBondContact O-N 3.14Å
433E73.9Confident72.1Confident131 Ų13184.6 Ų84.661%0.61243%0.426SS*.Hα-helixtrans-65.5-44.9-176-71.7-163.7167.200112.1D430 L435 V436 N437D430-E433 PolarHBondContact O-N 3.23Å; E433-L435 PolarHBondContact O-N 3.11Å; E433-V436 PolarHBondContact O-N 3.38Å; E433-N437 WeakPolarHBondContact O-CB 3.48Å; E433-N437 PolarHBondContact O-N 2.95Å
434D83.5Confident73.9Confident37 Ų3776.1 Ų76.120%0.19839%0.389CS..Hα-helixtrans-64.8-25.7175.5176.458.2000112.8V436 R472D434-V436 VanDerWaalsContact C-N 3.32Å; D434-V436 PolarHBondContact O-N 3.42Å; D434-R472 PolarHBondContact O-NH1 3.47Å; D434-R472 PolarHBondContact O-NH2 3.25Å; D434-R472 VanDerWaalsContact O-NH2 3.15Å; D434-R472 IonicContact OD2-NH2 3.8Å
435L91Very high75.9Confident15 Ų1576.5 Ų76.58%0.07939%0.391CS..Hα-helixtrans-73-25.9177.8-64.6174.3000112.7N431 K432 E433 K471 R472 A475 W476N431-L435 WeakPolarHBondContact O-CD1 3.29Å; N431-L435 VanDerWaalsContact O-CG 3.31Å; N431-L435 WeakPolarHBondContact O-CG 3.48Å; K432-L435 WeakPolarHBondContact O-CB 3.15Å; K432-L435 PolarHBondContact O-N 3.29Å; E433-L435 PolarHBondContact O-N 3.11Å; L435-K471 HydrophobicContact CD1-CD 3.98Å; L435-K471 HydrophobicContact CD1-CG 3.82Å; L435-K471 HydrophobicContact CD2-CD 4.37Å; L435-K471 HydrophobicContact CD2-CG 4.46Å; L435-R472 VanDerWaalsContact CA-NH1 3.26Å; L435-R472 HydrophobicContact CD2-CB 4.12Å; L435-R472 WeakPolarHBondContact O-CG 3.32Å; L435-R472 PolarHBondContact O-NH1 3.36Å; L435-A475 HydrophobicContact CB-CB 3.74Å; L435-A475 HydrophobicContact CD1-CB 4.1Å; L435-W476 VanDerWaalsContact O-CD1 3.31Å; L435-W476 PolarHBondContact O-NE1 2.95Å
436V93Very high78.1Confident22 Ų2269.9 Ų69.913%0.13336%0.356CS..Hα-helixtrans-105.7-42.1-175.1171.60000111.9K432 E433 D434 V439 A475 H479 L482K432-V436 PolarHBondContact O-N 3.14Å; E433-V436 PolarHBondContact O-N 3.38Å; D434-V436 VanDerWaalsContact C-N 3.32Å; D434-V436 PolarHBondContact O-N 3.42Å; V436-V439 HydrophobicContact CG1-CG1 3.79Å; V436-A475 HydrophobicContact CG2-CB 4.2Å; V436-H479 HydrophobicContact CG1-CB 4.29Å; V436-H479 HydrophobicContact CG2-CB 4.39Å; V436-L482 HydrophobicContact CG1-CD1 3.86Å
437N92.8Very high80.5Confident59 Ų5962 Ų6232%0.31631%0.314SS..  trans-81.7149.1-173.5-69.2-36.9000112.3E433E433-N437 WeakPolarHBondContact O-CB 3.48Å; E433-N437 PolarHBondContact O-N 2.95Å
438P94.2Very high83.1Confident18 Ų1857.7 Ų57.712%0.11729%0.294CS..SBendcis-84.6141.4-2.227.9-23.9000112.5G403 I405 L410G403-P438 WeakPolarHBondContact CA-O 3.41Å; I405-P438 HydrophobicContact CD1-CB 4.13Å; I405-P438 HydrophobicContact CD1-CG 3.25Å; I405-P438 HydrophobicContact CG1-CG 4.08Å; L410-P438 HydrophobicContact CD1-CG 3.8Å
439V96.3Very high85.8Confident21 Ų2148.3 Ų48.313%0.12725%0.251CS..  trans-143.6136.9177.8620000111.1V436 C444 L482V436-V439 HydrophobicContact CG1-CG1 3.79Å; V439-C444 VanDerWaalsContact CG2-SG 3.55Å; V439-L482 HydrophobicContact CB-CD1 4.39Å; V439-L482 HydrophobicContact CG2-CD1 4.15Å; V439-L482 HydrophobicContact CG2-CD2 3.75Å; V439-L482 HydrophobicContact CG2-CG 3.81Å
440I96.7Very high88.6Confident55 Ų5543.2 Ų43.228%0.28223%0.229SC..  trans-135.2152.7171.871.9165.8000111.6Y351 V402 M404 S442 G443 C444Y351-I440 HydrophobicContact CD2-CD1 3.84Å; Y351-I440 HydrophobicContact CE2-CD1 3.5Å; Y351-I440 VanDerWaalsContact CE2-CD1 3.5Å; V402-I440 PolarHBondContact O-N 3.42Å; M404-I440 HydrophobicContact CB-CD1 3.55Å; M404-I440 HydrophobicContact CB-CG1 4.07Å; M404-I440 HydrophobicContact CG-CD1 3.85Å; M404-I440 HydrophobicContact CG-CG1 4.14Å; I440-S442 VanDerWaalsContact C-N 3.29Å; I440-S442 PolarHBondContact O-N 3.37Å; I440-G443 PolarHBondContact O-N 2.82Å; I440-C444 PolarHBondContact O-N 3.42Å; I440-C444 VanDerWaalsContact O-N 3.1Å
441V95.7Very high90.9Very high74 Ų7438.9 Ų38.945%0.44821%0.205SC..Hα-helixtrans-54.8-44.3-179.8177.60000112G443 C444 L445V441-G443 VanDerWaalsContact C-N 3.27Å; V441-G443 PolarHBondContact O-N 2.85Å; V441-C444 PolarHBondContact O-N 3.38Å; V441-L445 HydrophobicContact CG1-CD1 3.71Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CB 3.41Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 3.18Å
442S94.7Very high92.8Very high52 Ų5240.6 Ų40.636%0.36421%0.209SC..Hα-helixtrans-63.6-33.3-179.1-56.80000112.7I440 F446I440-S442 VanDerWaalsContact C-N 3.29Å; I440-S442 PolarHBondContact O-N 3.37Å; S442-F446 VanDerWaalsContact O-CB 3.25Å; S442-F446 WeakPolarHBondContact O-CB 3.13Å; S442-F446 PolarHBondContact O-N 2.95Å
443G97.7Very high94.3Very high0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-70.1-49.6176.700000111.5L401 I440 V441 L445 F446 V447L401-G443 VanDerWaalsContact O-CA 3.23Å; L401-G443 WeakPolarHBondContact O-CA 3.19Å; I440-G443 PolarHBondContact O-N 2.82Å; V441-G443 VanDerWaalsContact C-N 3.27Å; V441-G443 PolarHBondContact O-N 2.85Å; G443-L445 PolarHBondContact O-N 3.28Å; G443-F446 WeakPolarHBondContact O-CB 3.47Å; G443-F446 PolarHBondContact O-N 3Å; G443-V447 WeakPolarHBondContact O-CG2 3.46Å; G443-V447 PolarHBondContact O-N 3.22Å
444C97.9Very high95.2Very high2 Ų232.3 Ų32.31%0.01418%0.177CC..Hα-helixtrans-57.9-49.5175.3-65.40000112V439 I440 V441 F446 V447 E448 Q481 V485V439-C444 VanDerWaalsContact CG2-SG 3.55Å; I440-C444 PolarHBondContact O-N 3.42Å; I440-C444 VanDerWaalsContact O-N 3.1Å; V441-C444 PolarHBondContact O-N 3.38Å; C444-F446 VanDerWaalsContact C-N 3.3Å; C444-F446 PolarHBondContact O-N 3.24Å; C444-V447 PolarHBondContact O-N 2.83Å; C444-E448 WeakPolarHBondContact O-CG 3.3Å; C444-E448 PolarHBondContact O-N 2.87Å; C444-Q481 HydrophobicContact CB-CB 4.33Å; C444-V485 HydrophobicContact CB-CG2 3.72Å
445L96.6Very high95.6Very high70 Ų7036.6 Ų36.637%0.36619%0.191SC..Hα-helixtrans-62-37.5179.1-69.5171.8000112.5V441 G443 E448 S449V441-L445 HydrophobicContact CG1-CD1 3.71Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CB 3.41Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 3.18Å; G443-L445 PolarHBondContact O-N 3.28Å; L445-E448 PolarHBondContact O-N 3.25Å; L445-S449 PolarHBondContact O-N 2.87Å
446F97.9Very high95.7Very high0 Ų035.9 Ų35.90%019%0.188CC..Hα-helixtrans-62.9-47175.1174-114.7000111.6L354 A358 F373 L377 L401 M404 S442 G443 C444 E448 S449 L450L354-F446 HydrophobicContact CB-CD2 4.07Å; L354-F446 HydrophobicContact CB-CE2 3.73Å; L354-F446 HydrophobicContact CB-CZ 4.11Å; L354-F446 WeakPolarHBondContact O-CE2 3.04Å; A358-F446 HydrophobicContact CB-CD2 4.25Å; A358-F446 HydrophobicContact CB-CE2 3.93Å; F373-F446 HydrophobicContact CE1-CE2 4.03Å; F373-F446 HydrophobicContact CE1-CZ 4.14Å; F373-F446 AromaticContact CZ-CE2 3.84Å; F373-F446 HydrophobicContact CZ-CE2 3.84Å; F373-F446 AromaticContact CZ-CZ 3.99Å; F373-F446 HydrophobicContact CZ-CZ 3.99Å; L377-F446 HydrophobicContact CD1-CE1 4.41Å; L377-F446 HydrophobicContact CD1-CZ 4.11Å; L377-F446 HydrophobicContact CD2-CE1 4.35Å; L377-F446 HydrophobicContact CD2-CZ 3.77Å; L401-F446 HydrophobicContact CD2-CE1 4.13Å; M404-F446 HydrophobicContact CE-CB 3.3Å; M404-F446 HydrophobicContact CE-CD1 3.39Å; M404-F446 HydrophobicContact CE-CD2 4.4Å; M404-F446 HydrophobicContact CE-CE1 4.31Å; M404-F446 HydrophobicContact CE-CG 3.44Å; M404-F446 VanDerWaalsContact CE-CG 3.44Å; S442-F446 VanDerWaalsContact O-CB 3.25Å; S442-F446 WeakPolarHBondContact O-CB 3.13Å; S442-F446 PolarHBondContact O-N 2.95Å; G443-F446 WeakPolarHBondContact O-CB 3.47Å; G443-F446 PolarHBondContact O-N 3Å; C444-F446 VanDerWaalsContact C-N 3.3Å; C444-F446 PolarHBondContact O-N 3.24Å; F446-E448 PolarHBondContact O-N 3.11Å; F446-S449 WeakPolarHBondContact O-CB 3.4Å; F446-S449 PolarHBondContact O-N 3.34Å; F446-S449 VanDerWaalsContact O-N 3.13Å; F446-L450 HydrophobicContact CD1-CD1 4.33Å; F446-L450 HydrophobicContact CE1-CD1 3.79Å; F446-L450 HydrophobicContact CE1-CG 4.29Å; F446-L450 HydrophobicContact CE2-CD2 4.08Å; F446-L450 HydrophobicContact CE2-CG 4.4Å; F446-L450 HydrophobicContact CZ-CD1 4.01Å; F446-L450 HydrophobicContact CZ-CD2 3.91Å; F446-L450 HydrophobicContact CZ-CG 4.14Å; F446-L450 WeakPolarHBondContact O-CG 3.43Å; F446-L450 PolarHBondContact O-N 3.45Å
447V98.1Very high95.6Very high0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-63.7-40.9177.2177.20000111.4I398 L401 V402 G443 C444 S449 L450 F451 V461 V485I398-V447 HydrophobicContact CD1-CG1 3.92Å; I398-V447 HydrophobicContact CD1-CG2 4.36Å; L401-V447 HydrophobicContact CB-CG2 3.59Å; L401-V447 HydrophobicContact CD1-CG2 4.22Å; V402-V447 HydrophobicContact CG1-CG2 4.05Å; G443-V447 WeakPolarHBondContact O-CG2 3.46Å; G443-V447 PolarHBondContact O-N 3.22Å; C444-V447 PolarHBondContact O-N 2.83Å; V447-S449 VanDerWaalsContact C-N 3.27Å; V447-S449 PolarHBondContact O-N 3.31Å; V447-L450 WeakPolarHBondContact O-CB 3.1Å; V447-L450 PolarHBondContact O-N 3.1Å; V447-L450 VanDerWaalsContact O-N 3.08Å; V447-F451 HydrophobicContact CG1-CD2 3.97Å; V447-F451 HydrophobicContact CG1-CE2 3.48Å; V447-F451 VanDerWaalsContact CG1-CE2 3.48Å; V447-F451 HydrophobicContact CG1-CZ 4.22Å; V447-F451 WeakPolarHBondContact O-CD2 2.99Å; V447-F451 PolarHBondContact O-N 2.84Å; V447-F451 VanDerWaalsContact O-N 3.13Å; V447-V461 HydrophobicContact CG1-CG1 4.19Å; V447-V485 HydrophobicContact CB-CG1 4.33Å; V447-V485 HydrophobicContact CB-CG2 4.5Å; V447-V485 HydrophobicContact CG1-CG1 3.59Å
448E97.4Very high95.7Very high43 Ų4335.8 Ų35.820%0.20118%0.184CC..Hα-helixtrans-57.1-40.2172.3-71.3177.1-116.900111.7C444 L445 F446 F451 R484 V485 A488C444-E448 WeakPolarHBondContact O-CG 3.3Å; C444-E448 PolarHBondContact O-N 2.87Å; L445-E448 PolarHBondContact O-N 3.25Å; F446-E448 PolarHBondContact O-N 3.11Å; E448-F451 PolarHBondContact O-N 3.44Å; E448-R484 WeakPolarHBondContact OE1-CB 3.22Å; E448-V485 HydrophobicContact CG-CG2 4.46Å; E448-A488 HydrophobicContact CB-CB 4.21Å; E448-A488 HydrophobicContact CG-CB 3.91Å
449S96.8Very high95.7Very high10 Ų1039.4 Ų39.47%0.0720%0.201CC..Hα-helixtrans-65.5-38.5173.4-77.60000112.6D359 L445 F446 V447 F451 K452D359-S449 PolarHBondContact OD1-OG 2.94Å; L445-S449 PolarHBondContact O-N 2.87Å; F446-S449 WeakPolarHBondContact O-CB 3.4Å; F446-S449 PolarHBondContact O-N 3.34Å; F446-S449 VanDerWaalsContact O-N 3.13Å; V447-S449 VanDerWaalsContact C-N 3.27Å; V447-S449 PolarHBondContact O-N 3.31Å; S449-F451 VanDerWaalsContact C-N 3.28Å; S449-F451 PolarHBondContact O-N 3.32Å; S449-K452 WeakPolarHBondContact O-CB 3.28Å; S449-K452 PolarHBondContact O-N 2.91Å
450L97.5Very high95.6Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-60.8-37.3175.8-63.2-178.8000112.1A358 F373 L374 L377 L401 F446 V447 K452 F453 V461A358-L450 HydrophobicContact CB-CD2 4.48Å; F373-L450 HydrophobicContact CD1-CD2 4.31Å; F373-L450 HydrophobicContact CE1-CD2 3.77Å; L374-L450 HydrophobicContact CD2-CD2 4.19Å; L377-L450 HydrophobicContact CD1-CD1 3.91Å; L377-L450 HydrophobicContact CD1-CD2 4.2Å; L401-L450 HydrophobicContact CD1-CD1 4.22Å; F446-L450 HydrophobicContact CD1-CD1 4.33Å; F446-L450 HydrophobicContact CE1-CD1 3.79Å; F446-L450 HydrophobicContact CE1-CG 4.29Å; F446-L450 HydrophobicContact CE2-CD2 4.08Å; F446-L450 HydrophobicContact CE2-CG 4.4Å; F446-L450 HydrophobicContact CZ-CD1 4.01Å; F446-L450 HydrophobicContact CZ-CD2 3.91Å; F446-L450 HydrophobicContact CZ-CG 4.14Å; F446-L450 WeakPolarHBondContact O-CG 3.43Å; F446-L450 PolarHBondContact O-N 3.45Å; V447-L450 WeakPolarHBondContact O-CB 3.1Å; V447-L450 PolarHBondContact O-N 3.1Å; V447-L450 VanDerWaalsContact O-N 3.08Å; L450-K452 PolarHBondContact O-N 3.32Å; L450-F453 HydrophobicContact CD2-CE1 4.45Å; L450-F453 HydrophobicContact CD2-CE2 4.46Å; L450-F453 HydrophobicContact CD2-CZ 4.14Å; L450-F453 WeakPolarHBondContact O-CB 3.45Å; L450-F453 WeakPolarHBondContact O-CG 3.5Å; L450-F453 PolarHBondContact O-N 3.27Å; L450-F453 VanDerWaalsContact O-N 3.15Å; L450-V461 HydrophobicContact CD1-CG2 4.02Å
451F97.2Very high95.5Very high6 Ų639.5 Ų39.53%0.02620%0.198CC..THydrogen-bonded Turntrans-70.6-5.1176.3-70.8-51.9000114.2V447 E448 S449 P458 V461 I462 L465 V485 A488 F489 S492 V495V447-F451 HydrophobicContact CG1-CD2 3.97Å; V447-F451 HydrophobicContact CG1-CE2 3.48Å; V447-F451 VanDerWaalsContact CG1-CE2 3.48Å; V447-F451 HydrophobicContact CG1-CZ 4.22Å; V447-F451 WeakPolarHBondContact O-CD2 2.99Å; V447-F451 PolarHBondContact O-N 2.84Å; V447-F451 VanDerWaalsContact O-N 3.13Å; E448-F451 PolarHBondContact O-N 3.44Å; S449-F451 VanDerWaalsContact C-N 3.28Å; S449-F451 PolarHBondContact O-N 3.32Å; F451-P458 HydrophobicContact CD1-CG 4.01Å; F451-P458 HydrophobicContact CE1-CG 4.23Å; F451-V461 HydrophobicContact CE1-CG1 4.45Å; F451-V461 HydrophobicContact CZ-CG1 4.04Å; F451-I462 HydrophobicContact CE1-CG1 3.81Å; F451-L465 HydrophobicContact CE2-CD1 4.34Å; F451-L465 HydrophobicContact CZ-CD1 4.07Å; F451-V485 HydrophobicContact CE2-CG1 4.08Å; F451-A488 HydrophobicContact CB-CB 4.27Å; F451-A488 HydrophobicContact CD2-CB 4.04Å; F451-F489 HydrophobicContact CD2-CB 4.33Å; F451-F489 HydrophobicContact CE1-CB 4.33Å; F451-F489 AromaticContact CE1-CD2 3.7Å; F451-F489 HydrophobicContact CE1-CD2 3.7Å; F451-F489 HydrophobicContact CE1-CG 4.49Å; F451-F489 HydrophobicContact CE2-CB 3.94Å; F451-F489 HydrophobicContact CZ-CB 3.97Å; F451-F489 AromaticContact CZ-CD2 3.71Å; F451-F489 HydrophobicContact CZ-CD2 3.71Å; F451-F489 HydrophobicContact CZ-CG 4.35Å; F451-S492 WeakPolarHBondContact O-CB 3.18Å; F451-S492 PolarHBondContact O-OG 3.41Å; F451-V495 HydrophobicContact CD1-CG2 4.25Å; F451-V495 HydrophobicContact CE1-CG2 4.42Å
452K96.1Very high95.5Very high122 Ų12236.1 Ų36.153%0.5318%0.178SC..THydrogen-bonded Turntrans-88.6-1.3171.2-62.2173.1-174166.70113.2I362 S449 L450 T454I362-K452 HydrophobicContact CD1-CB 3.93Å; I362-K452 HydrophobicContact CD1-CD 4.21Å; I362-K452 HydrophobicContact CG1-CB 4.33Å; S449-K452 WeakPolarHBondContact O-CB 3.28Å; S449-K452 PolarHBondContact O-N 2.91Å; L450-K452 PolarHBondContact O-N 3.32Å; K452-T454 PolarHBondContact O-N 3.49Å
453F96.2Very high95.5Very high0 Ų037.4 Ų37.40%018%0.18CC..  trans-72.1116.8179.8-78.824.8000110.5A358 C361 I362 Q370 F373 L374 L450 A456 S494A358-F453 HydrophobicContact CB-CE1 4.34Å; A358-F453 HydrophobicContact CB-CZ 4.43Å; C361-F453 HydrophobicContact CB-CE1 3.99Å; C361-F453 HydrophobicContact CB-CE2 4.16Å; C361-F453 HydrophobicContact CB-CZ 3.54Å; I362-F453 HydrophobicContact CD1-CD1 4.48Å; I362-F453 HydrophobicContact CD1-CE1 4.3Å; I362-F453 HydrophobicContact CG1-CD1 3.91Å; I362-F453 HydrophobicContact CG1-CE1 3.83Å; Q370-F453 HydrophobicContact CB-CD2 3.65Å; Q370-F453 HydrophobicContact CB-CE2 3.85Å; Q370-F453 HydrophobicContact CB-CG 4.48Å; Q370-F453 HydrophobicContact CG-CD2 3.67Å; Q370-F453 HydrophobicContact CG-CE2 3.84Å; Q370-F453 HydrophobicContact CG-CG 4.11Å; Q370-F453 HydrophobicContact CG-CZ 4.43Å; F373-F453 AromaticContact CD1-CE2 3.88Å; F373-F453 HydrophobicContact CD1-CE2 3.88Å; F373-F453 AromaticContact CD1-CZ 3.67Å; F373-F453 HydrophobicContact CD1-CZ 3.67Å; F373-F453 HydrophobicContact CE1-CZ 4.13Å; L374-F453 HydrophobicContact CD1-CD2 4.05Å; L374-F453 HydrophobicContact CD1-CE2 4.44Å; L374-F453 HydrophobicContact CD2-CD2 4.34Å; L374-F453 HydrophobicContact CD2-CE2 4.24Å; L374-F453 HydrophobicContact CG-CD2 4.16Å; L374-F453 HydrophobicContact CG-CE2 4.06Å; L450-F453 HydrophobicContact CD2-CE1 4.45Å; L450-F453 HydrophobicContact CD2-CE2 4.46Å; L450-F453 HydrophobicContact CD2-CZ 4.14Å; L450-F453 WeakPolarHBondContact O-CB 3.45Å; L450-F453 WeakPolarHBondContact O-CG 3.5Å; L450-F453 PolarHBondContact O-N 3.27Å; L450-F453 VanDerWaalsContact O-N 3.15Å; F453-A456 WeakPolarHBondContact CB-O 3.25Å; F453-S494 WeakPolarHBondContact O-CB 3.36Å
454T92.2Very high95.4Very high73 Ų7337.4 Ų37.445%0.44818%0.18SC..SBendtrans-95.8-16.9-175.348.50000114.5K452K452-T454 PolarHBondContact O-N 3.49Å
455Y92.3Very high95.4Very high126 Ų12637.3 Ų37.349%0.49418%0.18SC..SBendtrans-109-30.3-174.8-70.4-98.7000113.3P365P365-Y455 HydrophobicContact CB-CD2 3.65Å; P365-Y455 HydrophobicContact CB-CE2 3.45Å; P365-Y455 VanDerWaalsContact CB-CE2 3.45Å; P365-Y455 HydrophobicContact CG-CE2 4.21Å
456A92.5Very high95.3Very high1 Ų135.9 Ų35.91%0.00817%0.172CC..SBendtrans-125.1109.5172.200000110.5Q370 R371 L374 F453Q370-A456 HydrophobicContact CB-CB 3.49Å; Q370-A456 VanDerWaalsContact CB-CB 3.49Å; R371-A456 HydrophobicContact CB-CB 4.3Å; R371-A456 HydrophobicContact CG-CB 3.48Å; R371-A456 VanDerWaalsContact CG-CB 3.48Å; L374-A456 HydrophobicContact CD1-CB 3.98Å; L374-A456 WeakPolarHBondContact CD1-O 3.33Å; F453-A456 WeakPolarHBondContact CB-O 3.25Å
457H91.8Very high95.2Very high77 Ų7737.8 Ų37.836%0.35619%0.186SC..  trans-63.3133.6178.5-53.9-62.1000110.8I459 S494H457-I459 HydrophobicContact CB-CG1 4.01Å; H457-I459 PolarHBondContact O-N 3Å; H457-S494 PolarHBondContact CE1-O 3Å; H457-S494 WeakPolarHBondContact ND1-CA 3.49Å; H457-S494 PolarHBondContact ND1-O 3.45Å
458P94.4Very high95Very high2 Ų238 Ų381%0.01319%0.187CC..  trans-76.760.117833-36.7000111.5L374 F451 K460 V461 I462L374-P458 HydrophobicContact CD1-CB 4.37Å; L374-P458 HydrophobicContact CD2-CB 3.84Å; F451-P458 HydrophobicContact CD1-CG 4.01Å; F451-P458 HydrophobicContact CE1-CG 4.23Å; P458-K460 VanDerWaalsContact C-N 3.32Å; P458-K460 PolarHBondContact O-N 3.36Å; P458-V461 HydrophobicContact CB-CB 4.1Å; P458-V461 HydrophobicContact CB-CG2 4.02Å; P458-V461 WeakPolarHBondContact O-CA 3.16Å; P458-V461 WeakPolarHBondContact O-CB 3.42Å; P458-V461 PolarHBondContact O-N 3.21Å; P458-I462 HydrophobicContact CG-CD1 4.07Å; P458-I462 HydrophobicContact CG-CG1 4.28Å; P458-I462 WeakPolarHBondContact O-CG1 3.41Å; P458-I462 PolarHBondContact O-N 2.99Å
459I93.7Very high94.9Very high94 Ų9437.9 Ų37.948%0.48219%0.19SC..Hα-helixtrans-53.3-43.7-169-63.1169000112.5H457 V461 I462 N463H457-I459 HydrophobicContact CB-CG1 4.01Å; H457-I459 PolarHBondContact O-N 3Å; I459-V461 VanDerWaalsContact C-N 3.34Å; I459-V461 PolarHBondContact O-N 3.4Å; I459-I462 PolarHBondContact O-N 3.38Å; I459-N463 WeakPolarHBondContact CG2-ND2 3.44Å; I459-N463 WeakPolarHBondContact O-CB 3.49Å; I459-N463 VanDerWaalsContact O-CG 3.22Å; I459-N463 PolarHBondContact O-N 2.83Å; I459-N463 PolarHBondContact O-ND2 3.49Å
460K93.5Very high94.8Very high76 Ų7640.7 Ų40.733%0.3321%0.209SC..Hα-helixtrans-64.8-38.4179.5-166.3-178.6178.6-178.60112.1P378 F397 P458 S464P378-K460 HydrophobicContact CG-CD 3.89Å; F397-K460 HydrophobicContact CD1-CB 4.28Å; F397-K460 HydrophobicContact CD1-CD 3.83Å; F397-K460 HydrophobicContact CD1-CG 3.71Å; F397-K460 HydrophobicContact CE1-CB 4.22Å; F397-K460 HydrophobicContact CE1-CD 3.89Å; F397-K460 HydrophobicContact CE1-CG 4.02Å; F397-K460 HydrophobicContact CG-CD 4.31Å; F397-K460 HydrophobicContact CG-CG 4.46Å; F397-K460 HydrophobicContact CZ-CD 4.44Å; P458-K460 VanDerWaalsContact C-N 3.32Å; P458-K460 PolarHBondContact O-N 3.36Å; K460-S464 VanDerWaalsContact O-CB 3.27Å; K460-S464 WeakPolarHBondContact O-CB 3.29Å; K460-S464 PolarHBondContact O-N 2.91Å
461V95.7Very high94.7Very high2 Ų246.3 Ų46.31%0.01223%0.233CC..Hα-helixtrans-66.7-46.4176.8-174.50000110F397 I398 L401 V447 L450 F451 P458 I459 S464 L465F397-V461 HydrophobicContact CD1-CG2 4.41Å; F397-V461 HydrophobicContact CE1-CG2 3.86Å; I398-V461 HydrophobicContact CD1-CG1 3.61Å; L401-V461 HydrophobicContact CD1-CB 4.4Å; L401-V461 HydrophobicContact CD1-CG1 3.96Å; L401-V461 HydrophobicContact CD1-CG2 3.7Å; V447-V461 HydrophobicContact CG1-CG1 4.19Å; L450-V461 HydrophobicContact CD1-CG2 4.02Å; F451-V461 HydrophobicContact CE1-CG1 4.45Å; F451-V461 HydrophobicContact CZ-CG1 4.04Å; P458-V461 HydrophobicContact CB-CB 4.1Å; P458-V461 HydrophobicContact CB-CG2 4.02Å; P458-V461 WeakPolarHBondContact O-CA 3.16Å; P458-V461 WeakPolarHBondContact O-CB 3.42Å; P458-V461 PolarHBondContact O-N 3.21Å; I459-V461 VanDerWaalsContact C-N 3.34Å; I459-V461 PolarHBondContact O-N 3.4Å; V461-S464 PolarHBondContact O-N 2.85Å; V461-L465 WeakPolarHBondContact O-CB 3.49Å; V461-L465 PolarHBondContact O-N 3.15Å
462I96Very high94.6Very high3 Ų346.5 Ų46.52%0.01523%0.234CC..Hα-helixtrans-58.2-52.7177.3-70.3164.1000110.8F451 P458 I459 S464 L465 L466 F489 V495 L499F451-I462 HydrophobicContact CE1-CG1 3.81Å; P458-I462 HydrophobicContact CG-CD1 4.07Å; P458-I462 HydrophobicContact CG-CG1 4.28Å; P458-I462 WeakPolarHBondContact O-CG1 3.41Å; P458-I462 PolarHBondContact O-N 2.99Å; I459-I462 PolarHBondContact O-N 3.38Å; I462-S464 VanDerWaalsContact C-N 3.32Å; I462-S464 PolarHBondContact O-N 2.84Å; I462-L465 PolarHBondContact O-N 2.97Å; I462-L466 HydrophobicContact CG2-CD1 4.05Å; I462-L466 WeakPolarHBondContact O-CG 2.94Å; I462-L466 PolarHBondContact O-N 3.25Å; I462-F489 HydrophobicContact CB-CE2 4.27Å; I462-F489 HydrophobicContact CG1-CD2 4.47Å; I462-F489 HydrophobicContact CG1-CE2 4.12Å; I462-F489 HydrophobicContact CG2-CE2 3.81Å; I462-F489 HydrophobicContact CG2-CZ 4.43Å; I462-V495 HydrophobicContact CD1-CG2 3.9Å; I462-V495 HydrophobicContact CG1-CG2 4.13Å; I462-L499 HydrophobicContact CG2-CB 4.46Å; I462-L499 HydrophobicContact CG2-CD1 3.58Å; I462-L499 HydrophobicContact CG2-CG 4.47Å
463N94.5Very high94.6Very high79 Ų7940.7 Ų40.742%0.42221%0.208SC..Hα-helixtrans-63.5-39.7-177.9-70.5-13.7000111.6I459 L466 S467I459-N463 WeakPolarHBondContact CG2-ND2 3.44Å; I459-N463 WeakPolarHBondContact O-CB 3.49Å; I459-N463 VanDerWaalsContact O-CG 3.22Å; I459-N463 PolarHBondContact O-N 2.83Å; I459-N463 PolarHBondContact O-ND2 3.49Å; N463-L466 PolarHBondContact O-N 3.4Å; N463-S467 PolarHBondContact O-N 2.9Å
464S95.6Very high94.6Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-68.4-35.3176.5176.60000112.6D395 F397 I398 K460 V461 I462 S467 Q468D395-S464 PolarHBondContact O-OG 3.03Å; F397-S464 PolarHBondContact N-OG 3.27Å; I398-S464 WeakPolarHBondContact CB-OG 3.45Å; I398-S464 WeakPolarHBondContact CG2-OG 3.37Å; I398-S464 PolarHBondContact N-OG 3.04Å; K460-S464 VanDerWaalsContact O-CB 3.27Å; K460-S464 WeakPolarHBondContact O-CB 3.29Å; K460-S464 PolarHBondContact O-N 2.91Å; V461-S464 PolarHBondContact O-N 2.85Å; I462-S464 VanDerWaalsContact C-N 3.32Å; I462-S464 PolarHBondContact O-N 2.84Å; S464-S467 PolarHBondContact O-N 3.23Å; S464-S467 PolarHBondContact O-OG 3.29Å; S464-Q468 PolarHBondContact O-NE2 2.97Å
465L96.9Very high94.9Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-64-44.4171.7-172.7153.3000111.5I398 F451 V461 I462 S467 Q468 L473 V485 L486 F489 L503I398-L465 HydrophobicContact CD1-CB 4.42Å; I398-L465 HydrophobicContact CD1-CD1 4.39Å; I398-L465 HydrophobicContact CG1-CB 4.15Å; I398-L465 HydrophobicContact CG1-CD1 4.5Å; F451-L465 HydrophobicContact CE2-CD1 4.34Å; F451-L465 HydrophobicContact CZ-CD1 4.07Å; V461-L465 WeakPolarHBondContact O-CB 3.49Å; V461-L465 PolarHBondContact O-N 3.15Å; I462-L465 PolarHBondContact O-N 2.97Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.42Å; L465-Q468 WeakPolarHBondContact O-CB 3.42Å; L465-Q468 WeakPolarHBondContact O-CG 3.35Å; L465-Q468 PolarHBondContact O-N 3.45Å; L465-L473 HydrophobicContact CD2-CD2 4.31Å; L465-V485 HydrophobicContact CD1-CG1 4.26Å; L465-L486 HydrophobicContact CD1-CD2 4.19Å; L465-L486 HydrophobicContact CD2-CD2 4.09Å; L465-L486 HydrophobicContact CG-CD2 4.42Å; L465-F489 HydrophobicContact CD1-CB 4.38Å; L465-F489 HydrophobicContact CD1-CD2 4.18Å; L465-F489 HydrophobicContact CD1-CG 4.45Å; L465-F489 HydrophobicContact CD2-CD2 4.23Å; L465-F489 HydrophobicContact CD2-CE2 4.33Å; L465-F489 HydrophobicContact CD2-CG 4.44Å; L465-L503 HydrophobicContact CD2-CD1 4.22Å; L465-L503 HydrophobicContact CD2-CD2 4.49Å
466L95.7Very high95.1Very high39 Ų3933.4 Ų33.420%0.20418%0.176CC..Hα-helixtrans-73-19-179.2-69.3176.9000114I462 N463 Q468 F489 L499 L503I462-L466 HydrophobicContact CG2-CD1 4.05Å; I462-L466 WeakPolarHBondContact O-CG 2.94Å; I462-L466 PolarHBondContact O-N 3.25Å; N463-L466 PolarHBondContact O-N 3.4Å; L466-Q468 VanDerWaalsContact C-N 3.26Å; L466-Q468 PolarHBondContact O-N 2.66Å; L466-F489 HydrophobicContact CD1-CZ 4.18Å; L466-F489 HydrophobicContact CD2-CE1 4.46Å; L466-F489 HydrophobicContact CD2-CZ 3.91Å; L466-F489 HydrophobicContact CG-CE2 4.44Å; L466-F489 HydrophobicContact CG-CZ 4.1Å; L466-L499 HydrophobicContact CD1-CB 3.9Å; L466-L499 HydrophobicContact CD1-CD2 3.77Å; L466-L499 HydrophobicContact CD1-CG 4.33Å; L466-L503 HydrophobicContact CD2-CB 3.79Å
467S94.9Very high95.4Very high41 Ų4133.3 Ų33.329%0.28718%0.176SC..THydrogen-bonded Turntrans-77.3-10.817470.30000113.5D395 N463 S464 L465D395-S467 WeakPolarHBondContact CB-OG 3.27Å; D395-S467 PolarHBondContact N-OG 2.93Å; N463-S467 PolarHBondContact O-N 2.9Å; S464-S467 PolarHBondContact O-N 3.23Å; S464-S467 PolarHBondContact O-OG 3.29Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.42Å
468Q95.2Very high95.6Very high4 Ų432.2 Ų32.22%0.01917%0.171CC..SBendtrans-68.5142.8179.6-56-49.8-72.300110.5D395 I398 S464 L465 L466 R472 L473D395-Q468 PolarHBondContact O-NE2 2.9Å; I398-Q468 HydrophobicContact CG2-CG 4.05Å; S464-Q468 PolarHBondContact O-NE2 2.97Å; L465-Q468 WeakPolarHBondContact O-CB 3.42Å; L465-Q468 WeakPolarHBondContact O-CG 3.35Å; L465-Q468 PolarHBondContact O-N 3.45Å; L466-Q468 VanDerWaalsContact C-N 3.26Å; L466-Q468 PolarHBondContact O-N 2.66Å; Q468-R472 HydrophobicContact CB-CG 4.47Å; Q468-L473 HydrophobicContact CB-CD2 3.97Å; Q468-L473 HydrophobicContact CB-CG 3.98Å; Q468-L473 WeakPolarHBondContact O-CD1 3.32Å
469S94.3Very high95.8Very high40 Ų4033.6 Ų33.628%0.2818%0.177SC..  trans-60148.5178.9570000112.1E394 K471 R472 L473E394-S469 WeakPolarHBondContact OE1-CB 3.3Å; E394-S469 PolarHBondContact OE1-N 3.26Å; E394-S469 PolarHBondContact OE1-OG 3.13Å; S469-K471 PolarHBondContact O-N 3.24Å; S469-K471 VanDerWaalsContact O-N 3.16Å; S469-R472 WeakPolarHBondContact O-CB 3.32Å; S469-R472 PolarHBondContact O-N 3.31Å; S469-R472 WeakPolarHBondContact OG-CB 3.28Å; S469-L473 PolarHBondContact O-N 3.1Å
470P94.8Very high95.8Very high70 Ų7036.4 Ų36.446%0.45518%0.182SC..Hα-helixtrans-52.5-38.5176.1-30.637.1000113.6R472 L473 I474P470-R472 PolarHBondContact O-N 2.77Å; P470-L473 PolarHBondContact O-N 3.31Å; P470-I474 VanDerWaalsContact O-CG1 3.28Å; P470-I474 WeakPolarHBondContact O-CG1 2.98Å; P470-I474 PolarHBondContact O-N 3.07Å
471K94.3Very high96Very high118 Ų11833.9 Ų33.951%0.51317%0.172SC..Hα-helixtrans-60.5-44.7176.6-166.9-171.9-176.4-1710111.5L435 S469 A475L435-K471 HydrophobicContact CD1-CD 3.98Å; L435-K471 HydrophobicContact CD1-CG 3.82Å; L435-K471 HydrophobicContact CD2-CD 4.37Å; L435-K471 HydrophobicContact CD2-CG 4.46Å; S469-K471 PolarHBondContact O-N 3.24Å; S469-K471 VanDerWaalsContact O-N 3.16Å; K471-A475 PolarHBondContact O-N 3.36Å; K471-A475 VanDerWaalsContact O-N 3.12Å
472R95.1Very high96.1Very high10 Ų1033.8 Ų33.84%0.03817%0.171CC..Hα-helixtrans-66.1-45.4177.1-174.2172.3-67.2-79.8-3.3111.4E394 D434 L435 Q468 S469 P470 I474 A475 W476E394-R472 IonicContact OE1-NE 2.73Å; E394-R472 IonicContact OE2-CZ 2.9Å; E394-R472 IonicContact OE2-NE 3.74Å; E394-R472 PolarHBondContact OE2-NE 3.47Å; D434-R472 PolarHBondContact O-NH1 3.47Å; D434-R472 PolarHBondContact O-NH2 3.25Å; D434-R472 VanDerWaalsContact O-NH2 3.15Å; D434-R472 IonicContact OD2-NH2 3.8Å; L435-R472 VanDerWaalsContact CA-NH1 3.26Å; L435-R472 HydrophobicContact CD2-CB 4.12Å; L435-R472 WeakPolarHBondContact O-CG 3.32Å; L435-R472 PolarHBondContact O-NH1 3.36Å; Q468-R472 HydrophobicContact CB-CG 4.47Å; S469-R472 WeakPolarHBondContact O-CB 3.32Å; S469-R472 PolarHBondContact O-N 3.31Å; S469-R472 WeakPolarHBondContact OG-CB 3.28Å; P470-R472 PolarHBondContact O-N 2.77Å; R472-I474 VanDerWaalsContact C-N 3.33Å; R472-I474 PolarHBondContact O-N 2.97Å; R472-A475 WeakPolarHBondContact O-CB 3.49Å; R472-A475 PolarHBondContact O-N 3.13Å; R472-A475 VanDerWaalsContact O-N 3.15Å; R472-W476 PolarHBondContact O-N 2.87Å
473L97.2Very high96.2Very high0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-61.6-38.8178.4-69.8172.4000112.7L465 Q468 S469 P470 W476 A477 L486 L503 L507L465-L473 HydrophobicContact CD2-CD2 4.31Å; Q468-L473 HydrophobicContact CB-CD2 3.97Å; Q468-L473 HydrophobicContact CB-CG 3.98Å; Q468-L473 WeakPolarHBondContact O-CD1 3.32Å; S469-L473 PolarHBondContact O-N 3.1Å; P470-L473 PolarHBondContact O-N 3.31Å; L473-W476 PolarHBondContact O-N 3.19Å; L473-A477 WeakPolarHBondContact O-CB 3.46Å; L473-A477 PolarHBondContact O-N 3.11Å; L473-L486 HydrophobicContact CD2-CD2 4.29Å; L473-L503 HydrophobicContact CD1-CD1 4Å; L473-L503 HydrophobicContact CD2-CD1 4.1Å; L473-L507 HydrophobicContact CB-CD2 3.81Å
474I97.1Very high96.4Very high32 Ų3234.9 Ų34.916%0.16417%0.17CC..Hα-helixtrans-64.8-45173.6-68.4166.2000110.5P470 R472 W476 A477 Q478 L507 L514P470-I474 VanDerWaalsContact O-CG1 3.28Å; P470-I474 WeakPolarHBondContact O-CG1 2.98Å; P470-I474 PolarHBondContact O-N 3.07Å; R472-I474 VanDerWaalsContact C-N 3.33Å; R472-I474 PolarHBondContact O-N 2.97Å; I474-W476 VanDerWaalsContact C-N 3.3Å; I474-W476 PolarHBondContact O-N 3.3Å; I474-A477 PolarHBondContact O-N 3.45Å; I474-Q478 WeakPolarHBondContact O-CG 3.46Å; I474-Q478 PolarHBondContact O-N 3.05Å; I474-Q478 VanDerWaalsContact O-N 3.14Å; I474-L507 HydrophobicContact CG1-CD2 4.1Å; I474-L514 HydrophobicContact CG2-CD2 4.29Å
475A96.7Very high96.5Very high11 Ų1134.9 Ų34.99%0.09117%0.17CC..Hα-helixtrans-60.7-39.4175.600000112.1L435 V436 K471 R472 Q478 H479L435-A475 HydrophobicContact CB-CB 3.74Å; L435-A475 HydrophobicContact CD1-CB 4.1Å; V436-A475 HydrophobicContact CG2-CB 4.2Å; K471-A475 PolarHBondContact O-N 3.36Å; K471-A475 VanDerWaalsContact O-N 3.12Å; R472-A475 WeakPolarHBondContact O-CB 3.49Å; R472-A475 PolarHBondContact O-N 3.13Å; R472-A475 VanDerWaalsContact O-N 3.15Å; A475-Q478 PolarHBondContact O-N 3.15Å; A475-H479 PolarHBondContact O-N 2.96Å; A475-H479 VanDerWaalsContact O-N 3.11Å
476W97.9Very high96.6Very high2 Ų234.9 Ų34.91%0.00817%0.17CC..Hα-helixtrans-63.8-42.3175.5-77.830.6000112.1I398 R399 V402 L435 R472 L473 I474 Q478 H479 L482 S483 L486I398-W476 HydrophobicContact CG1-CH2 3.81Å; I398-W476 HydrophobicContact CG1-CZ3 3.84Å; I398-W476 HydrophobicContact CG2-CH2 3.98Å; R399-W476 HydrophobicContact CG-CZ2 4.2Å; V402-W476 HydrophobicContact CG1-CH2 4.32Å; V402-W476 HydrophobicContact CG1-CZ3 4.44Å; V402-W476 HydrophobicContact CG2-CH2 3.94Å; V402-W476 HydrophobicContact CG2-CZ2 4.23Å; L435-W476 VanDerWaalsContact O-CD1 3.31Å; L435-W476 PolarHBondContact O-NE1 2.95Å; R472-W476 PolarHBondContact O-N 2.87Å; L473-W476 PolarHBondContact O-N 3.19Å; I474-W476 VanDerWaalsContact C-N 3.3Å; I474-W476 PolarHBondContact O-N 3.3Å; W476-Q478 PolarHBondContact O-N 3.15Å; W476-H479 PolarHBondContact O-N 3.12Å; W476-L482 HydrophobicContact CB-CB 3.94Å; W476-L482 HydrophobicContact CB-CD1 4.34Å; W476-L482 HydrophobicContact CD2-CB 4.23Å; W476-L482 HydrophobicContact CD2-CD1 3.88Å; W476-L482 HydrophobicContact CD2-CD2 4.1Å; W476-L482 HydrophobicContact CD2-CG 4.29Å; W476-L482 HydrophobicContact CE3-CB 4.34Å; W476-L482 HydrophobicContact CE3-CD2 4.01Å; W476-L482 HydrophobicContact CG-CB 4.09Å; W476-L482 HydrophobicContact CG-CD1 3.74Å; W476-L482 HydrophobicContact CG-CG 4.38Å; W476-L482 HydrophobicContact CH2-CD2 4.32Å; W476-L482 HydrophobicContact CZ2-CD2 4.41Å; W476-L482 HydrophobicContact CZ3-CD2 4.12Å; W476-L482 CarbonylContact O-C 2.98Å; W476-S483 PolarHBondContact O-N 3.13Å; W476-S483 VanDerWaalsContact O-N 3.1Å; W476-L486 HydrophobicContact CB-CD1 4.04Å
477A97.9Very high96.7Very high0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-64.6-24.317600000112.9L473 I474 S483 L486 L507 L514 S519 G520 V523L473-A477 WeakPolarHBondContact O-CB 3.46Å; L473-A477 PolarHBondContact O-N 3.11Å; I474-A477 PolarHBondContact O-N 3.45Å; A477-S483 WeakPolarHBondContact O-CB 3.39Å; A477-L486 HydrophobicContact CB-CD1 3.71Å; A477-L507 HydrophobicContact CB-CD2 4.49Å; A477-L514 HydrophobicContact CB-CD1 3.93Å; A477-L514 HydrophobicContact CB-CD2 3.52Å; A477-L514 HydrophobicContact CB-CG 4.37Å; A477-S519 CarbonylContact O-C 3.02Å; A477-G520 VanDerWaalsContact O-CA 3.25Å; A477-G520 WeakPolarHBondContact O-CA 3.5Å; A477-G520 PolarHBondContact O-N 3.35Å; A477-V523 HydrophobicContact CB-CB 4.35Å; A477-V523 HydrophobicContact CB-CG1 4.2Å; A477-V523 HydrophobicContact CB-CG2 4.04Å
478Q97Very high96.8Very high54 Ų5433.3 Ų33.325%0.25216%0.161SC..Hα-helixtrans-85.9-15.2172.5-63.3-179.8-71.800113.2I474 A475 W476 V513 L514 H517I474-Q478 WeakPolarHBondContact O-CG 3.46Å; I474-Q478 PolarHBondContact O-N 3.05Å; I474-Q478 VanDerWaalsContact O-N 3.14Å; A475-Q478 PolarHBondContact O-N 3.15Å; W476-Q478 PolarHBondContact O-N 3.15Å; Q478-V513 VanDerWaalsContact NE2-CG1 3.28Å; Q478-L514 HydrophobicContact CG-CD2 3.57Å; Q478-H517 HydrophobicContact CG-CB 4.41Å; Q478-H517 PolarHBondContact O-CE1 2.95Å; Q478-H517 PolarHBondContact O-ND1 3Å
479H97.1Very high97Very high31 Ų3133.1 Ų33.114%0.14416%0.16CC..SBendtrans-86.1128.7-179.1-176.3-102.9000111.9V436 A475 W476 Q481 L482 S483V436-H479 HydrophobicContact CG1-CB 4.29Å; V436-H479 HydrophobicContact CG2-CB 4.39Å; A475-H479 PolarHBondContact O-N 2.96Å; A475-H479 VanDerWaalsContact O-N 3.11Å; W476-H479 PolarHBondContact O-N 3.12Å; H479-Q481 PolarHBondContact ND1-N 3.42Å; H479-Q481 PolarHBondContact O-N 3Å; H479-L482 HydrophobicContact CB-CB 4.13Å; H479-L482 HydrophobicContact CB-CD1 4.12Å; H479-L482 HydrophobicContact CB-CG 4.43Å; H479-L482 PolarHBondContact ND1-N 3.48Å; H479-L482 PolarHBondContact O-N 3.5Å; H479-L482 VanDerWaalsContact O-N 3.16Å; H479-S483 VanDerWaalsContact O-CB 3.27Å; H479-S483 WeakPolarHBondContact O-CB 3.47Å; H479-S483 PolarHBondContact O-N 2.91Å; H479-S483 PolarHBondContact O-OG 3.39Å
480Y95.3Very high97.1Very high152 Ų15231.3 Ų31.360%0.59615%0.147SC*.THydrogen-bonded Turntrans-58.6-24.1-172.469.4-81.6000115.7S519Y480-S519 WeakPolarHBondContact CA-OG 3.49Å
481Q96.6Very high97.2Very high24 Ų2432.4 Ų32.411%0.11215%0.148CC..THydrogen-bonded Turntrans-95.2-40.2175.2-49.4178.4-500112.5C444 H479 R484C444-Q481 HydrophobicContact CB-CB 4.33Å; H479-Q481 PolarHBondContact ND1-N 3.42Å; H479-Q481 PolarHBondContact O-N 3Å; Q481-R484 WeakPolarHBondContact O-CB 3.49Å; Q481-R484 PolarHBondContact O-N 3.06Å
482L98.1Very high97.2Very high0 Ų027.2 Ų27.20%013%0.127CC..Hα-helixtrans-79.9-26.1-174.4-65.7163000111.5V402 V436 V439 W476 H479 R484 V485 L486V402-L482 HydrophobicContact CB-CD2 3.87Å; V402-L482 HydrophobicContact CG1-CD2 3.9Å; V402-L482 HydrophobicContact CG2-CD2 3.94Å; V436-L482 HydrophobicContact CG1-CD1 3.86Å; V439-L482 HydrophobicContact CB-CD1 4.39Å; V439-L482 HydrophobicContact CG2-CD1 4.15Å; V439-L482 HydrophobicContact CG2-CD2 3.75Å; V439-L482 HydrophobicContact CG2-CG 3.81Å; W476-L482 HydrophobicContact CB-CB 3.94Å; W476-L482 HydrophobicContact CB-CD1 4.34Å; W476-L482 HydrophobicContact CD2-CB 4.23Å; W476-L482 HydrophobicContact CD2-CD1 3.88Å; W476-L482 HydrophobicContact CD2-CD2 4.1Å; W476-L482 HydrophobicContact CD2-CG 4.29Å; W476-L482 HydrophobicContact CE3-CB 4.34Å; W476-L482 HydrophobicContact CE3-CD2 4.01Å; W476-L482 HydrophobicContact CG-CB 4.09Å; W476-L482 HydrophobicContact CG-CD1 3.74Å; W476-L482 HydrophobicContact CG-CG 4.38Å; W476-L482 HydrophobicContact CH2-CD2 4.32Å; W476-L482 HydrophobicContact CZ2-CD2 4.41Å; W476-L482 HydrophobicContact CZ3-CD2 4.12Å; W476-L482 CarbonylContact O-C 2.98Å; H479-L482 HydrophobicContact CB-CB 4.13Å; H479-L482 HydrophobicContact CB-CD1 4.12Å; H479-L482 HydrophobicContact CB-CG 4.43Å; H479-L482 PolarHBondContact ND1-N 3.48Å; H479-L482 PolarHBondContact O-N 3.5Å; H479-L482 VanDerWaalsContact O-N 3.16Å; L482-R484 PolarHBondContact O-N 3.48Å; L482-V485 WeakPolarHBondContact O-CB 3.44Å; L482-V485 PolarHBondContact O-N 3.43Å; L482-L486 PolarHBondContact O-N 3.18Å
483S97.9Very high97Very high2 Ų234.5 Ų34.51%0.01416%0.162CC..Hα-helixtrans-56.5-37.1170.6750000110.7W476 A477 H479 L486 E487W476-S483 PolarHBondContact O-N 3.13Å; W476-S483 VanDerWaalsContact O-N 3.1Å; A477-S483 WeakPolarHBondContact O-CB 3.39Å; H479-S483 VanDerWaalsContact O-CB 3.27Å; H479-S483 WeakPolarHBondContact O-CB 3.47Å; H479-S483 PolarHBondContact O-N 2.91Å; H479-S483 PolarHBondContact O-OG 3.39Å; S483-L486 PolarHBondContact O-N 3.39Å; S483-E487 VanDerWaalsContact O-CG 3.32Å; S483-E487 WeakPolarHBondContact O-CG 3.36Å; S483-E487 PolarHBondContact O-N 3.49Å
484R98.2Very high96.4Very high103 Ų10334.7 Ų34.739%0.38916%0.163SC..Hα-helixtrans-66.7-36.3176.1-59.6-61.9179.4-166.35.7112.8E448 Q481 L482 E487 A488E448-R484 WeakPolarHBondContact OE1-CB 3.22Å; Q481-R484 WeakPolarHBondContact O-CB 3.49Å; Q481-R484 PolarHBondContact O-N 3.06Å; L482-R484 PolarHBondContact O-N 3.48Å; R484-E487 WeakPolarHBondContact CD-OE1 3.47Å; R484-E487 IonicContact CZ-OE1 3.75Å; R484-E487 IonicContact NE-OE1 2.88Å; R484-E487 VanDerWaalsContact NH1-CD 3.3Å; R484-E487 IonicContact NH1-OE1 3.34Å; R484-E487 PolarHBondContact NH1-OE1 2.85Å; R484-E487 IonicContact NH1-OE2 2.78Å; R484-E487 PolarHBondContact NH1-OE2 3.49Å; R484-E487 PolarHBondContact O-N 2.98Å; R484-A488 WeakPolarHBondContact O-CB 3.32Å; R484-A488 PolarHBondContact O-N 3.26Å
485V98.3Very high96.2Very high0 Ų033.3 Ų33.30%016%0.156CC..Hα-helixtrans-63.2-43.5172.2177.20000110.9V402 C444 V447 E448 F451 L465 L482 A488 F489V402-V485 HydrophobicContact CG1-CG2 4.38Å; C444-V485 HydrophobicContact CB-CG2 3.72Å; V447-V485 HydrophobicContact CB-CG1 4.33Å; V447-V485 HydrophobicContact CB-CG2 4.5Å; V447-V485 HydrophobicContact CG1-CG1 3.59Å; E448-V485 HydrophobicContact CG-CG2 4.46Å; F451-V485 HydrophobicContact CE2-CG1 4.08Å; L465-V485 HydrophobicContact CD1-CG1 4.26Å; L482-V485 WeakPolarHBondContact O-CB 3.44Å; L482-V485 PolarHBondContact O-N 3.43Å; V485-A488 PolarHBondContact O-N 3.35Å; V485-F489 PolarHBondContact O-N 3.46Å
486L98.4Very high96.1Very high0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-66.4-44.1176-64.2-179.7000111.8L465 L473 W476 A477 L482 S483 A488 F489 I490 L503L465-L486 HydrophobicContact CD1-CD2 4.19Å; L465-L486 HydrophobicContact CD2-CD2 4.09Å; L465-L486 HydrophobicContact CG-CD2 4.42Å; L473-L486 HydrophobicContact CD2-CD2 4.29Å; W476-L486 HydrophobicContact CB-CD1 4.04Å; A477-L486 HydrophobicContact CB-CD1 3.71Å; L482-L486 PolarHBondContact O-N 3.18Å; S483-L486 PolarHBondContact O-N 3.39Å; L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 2.92Å; L486-F489 WeakPolarHBondContact O-CB 3.34Å; L486-F489 PolarHBondContact O-N 3.35Å; L486-I490 HydrophobicContact CB-CD1 4.5Å; L486-I490 WeakPolarHBondContact O-CB 3.39Å; L486-I490 VanDerWaalsContact O-CD1 3.31Å; L486-I490 WeakPolarHBondContact O-CD1 3.43Å; L486-I490 WeakPolarHBondContact O-CG1 3.39Å; L486-I490 PolarHBondContact O-N 2.86Å; L486-L503 HydrophobicContact CD2-CD1 4.38Å; L486-L503 HydrophobicContact CD2-CD2 4.31Å
487E98.3Very high95.9Very high25 Ų2539 Ų3912%0.11718%0.184CC..Hα-helixtrans-57.9-44.5174.2-72.9174.3-100.700111.1S483 R484 F489 I490 L491 V523 A526S483-E487 VanDerWaalsContact O-CG 3.32Å; S483-E487 WeakPolarHBondContact O-CG 3.36Å; S483-E487 PolarHBondContact O-N 3.49Å; R484-E487 WeakPolarHBondContact CD-OE1 3.47Å; R484-E487 IonicContact CZ-OE1 3.75Å; R484-E487 IonicContact NE-OE1 2.88Å; R484-E487 VanDerWaalsContact NH1-CD 3.3Å; R484-E487 IonicContact NH1-OE1 3.34Å; R484-E487 PolarHBondContact NH1-OE1 2.85Å; R484-E487 IonicContact NH1-OE2 2.78Å; R484-E487 PolarHBondContact NH1-OE2 3.49Å; R484-E487 PolarHBondContact O-N 2.98Å; E487-F489 PolarHBondContact O-N 2.95Å; E487-I490 PolarHBondContact O-N 2.89Å; E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 WeakPolarHBondContact O-CG 3.45Å; E487-L491 PolarHBondContact O-N 3.06Å; E487-V523 HydrophobicContact CG-CG2 4.27Å; E487-A526 HydrophobicContact CB-CB 4.47Å; E487-A526 HydrophobicContact CG-CB 4.06Å
488A97.6Very high95.7Very high22 Ų2244.5 Ų44.518%0.18221%0.209CC..Hα-helixtrans-62-42.5176.400000112.1E448 F451 R484 V485 L486 S492E448-A488 HydrophobicContact CB-CB 4.21Å; E448-A488 HydrophobicContact CG-CB 3.91Å; F451-A488 HydrophobicContact CB-CB 4.27Å; F451-A488 HydrophobicContact CD2-CB 4.04Å; R484-A488 WeakPolarHBondContact O-CB 3.32Å; R484-A488 PolarHBondContact O-N 3.26Å; V485-A488 PolarHBondContact O-N 3.35Å; L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 2.92Å; A488-S492 WeakPolarHBondContact O-CB 3.28Å; A488-S492 PolarHBondContact O-N 2.94Å
489F97.9Very high95.6Very high0 Ų044.2 Ų44.20%021%0.209CC..Hα-helixtrans-59.9-49.5172.7174.4-83000111.8F451 I462 L465 L466 V485 L486 E487 L491 S492 V495 L499 L503F451-F489 HydrophobicContact CD2-CB 4.33Å; F451-F489 HydrophobicContact CE1-CB 4.33Å; F451-F489 AromaticContact CE1-CD2 3.7Å; F451-F489 HydrophobicContact CE1-CD2 3.7Å; F451-F489 HydrophobicContact CE1-CG 4.49Å; F451-F489 HydrophobicContact CE2-CB 3.94Å; F451-F489 HydrophobicContact CZ-CB 3.97Å; F451-F489 AromaticContact CZ-CD2 3.71Å; F451-F489 HydrophobicContact CZ-CD2 3.71Å; F451-F489 HydrophobicContact CZ-CG 4.35Å; I462-F489 HydrophobicContact CB-CE2 4.27Å; I462-F489 HydrophobicContact CG1-CD2 4.47Å; I462-F489 HydrophobicContact CG1-CE2 4.12Å; I462-F489 HydrophobicContact CG2-CE2 3.81Å; I462-F489 HydrophobicContact CG2-CZ 4.43Å; L465-F489 HydrophobicContact CD1-CB 4.38Å; L465-F489 HydrophobicContact CD1-CD2 4.18Å; L465-F489 HydrophobicContact CD1-CG 4.45Å; L465-F489 HydrophobicContact CD2-CD2 4.23Å; L465-F489 HydrophobicContact CD2-CE2 4.33Å; L465-F489 HydrophobicContact CD2-CG 4.44Å; L466-F489 HydrophobicContact CD1-CZ 4.18Å; L466-F489 HydrophobicContact CD2-CE1 4.46Å; L466-F489 HydrophobicContact CD2-CZ 3.91Å; L466-F489 HydrophobicContact CG-CE2 4.44Å; L466-F489 HydrophobicContact CG-CZ 4.1Å; V485-F489 PolarHBondContact O-N 3.46Å; L486-F489 WeakPolarHBondContact O-CB 3.34Å; L486-F489 PolarHBondContact O-N 3.35Å; E487-F489 PolarHBondContact O-N 2.95Å; F489-L491 PolarHBondContact O-N 3.36Å; F489-S492 PolarHBondContact O-N 3.4Å; F489-V495 HydrophobicContact CD2-CG1 4.39Å; F489-V495 HydrophobicContact CD2-CG2 3.97Å; F489-V495 HydrophobicContact CE1-CG1 3.95Å; F489-V495 HydrophobicContact CE2-CG1 3.77Å; F489-V495 HydrophobicContact CE2-CG2 4.05Å; F489-V495 HydrophobicContact CG-CG2 4.41Å; F489-V495 HydrophobicContact CZ-CG1 3.53Å; F489-L499 HydrophobicContact CZ-CB 4.44Å; F489-L503 HydrophobicContact CD1-CB 4.45Å; F489-L503 HydrophobicContact CD1-CD2 3.35Å; F489-L503 HydrophobicContact CE1-CB 3.8Å; F489-L503 HydrophobicContact CE1-CD2 3.59Å; F489-L503 HydrophobicContact CE1-CG 4.34Å; F489-L503 HydrophobicContact CG-CD2 4.28Å
490I97.7Very high95.6Very high2 Ų243.5 Ų43.51%0.0121%0.206CC..Hα-helixtrans-62.3-45-175-71.9161.1000110.7L486 E487 K500 L503 V523 A526 L527 T530L486-I490 HydrophobicContact CB-CD1 4.5Å; L486-I490 WeakPolarHBondContact O-CB 3.39Å; L486-I490 VanDerWaalsContact O-CD1 3.31Å; L486-I490 WeakPolarHBondContact O-CD1 3.43Å; L486-I490 WeakPolarHBondContact O-CG1 3.39Å; L486-I490 PolarHBondContact O-N 2.86Å; E487-I490 PolarHBondContact O-N 2.89Å; I490-K500 WeakPolarHBondContact O-CE 3.17Å; I490-K500 PolarHBondContact O-NZ 3.1Å; I490-L503 HydrophobicContact CD1-CD2 4.11Å; I490-L503 HydrophobicContact CG1-CD2 3.7Å; I490-V523 HydrophobicContact CD1-CG1 3.87Å; I490-A526 HydrophobicContact CB-CB 4.4Å; I490-A526 HydrophobicContact CD1-CB 4.39Å; I490-A526 VanDerWaalsContact CG2-C 3.5Å; I490-A526 HydrophobicContact CG2-CB 3.91Å; I490-A526 WeakPolarHBondContact CG2-O 3.44Å; I490-L527 HydrophobicContact CD1-CD2 3.71Å; I490-L527 HydrophobicContact CD1-CG 3.87Å; I490-L527 HydrophobicContact CG1-CD2 3.94Å; I490-L527 HydrophobicContact CG2-CD2 4.3Å; I490-T530 HydrophobicContact CG2-CG2 4.17Å; I490-T530 WeakPolarHBondContact CG2-OG1 3.3Å; I490-T530 PolarHBondContact O-OG1 3.27Å; I490-T530 VanDerWaalsContact O-OG1 3.09Å
491L96.2Very high95.6Very high92 Ų9237.1 Ų37.148%0.48218%0.182SC..Hα-helixtrans-86.6-8.4-176-61.8173.4000113.6E487 F489 E493 A526 T529E487-L491 WeakPolarHBondContact O-CB 3.49Å; E487-L491 WeakPolarHBondContact O-CG 3.45Å; E487-L491 PolarHBondContact O-N 3.06Å; F489-L491 PolarHBondContact O-N 3.36Å; L491-E493 PolarHBondContact O-N 3.41Å; L491-A526 HydrophobicContact CD1-CB 4.38Å; L491-A526 HydrophobicContact CD2-CB 4.36Å; L491-A526 HydrophobicContact CG-CB 4.25Å; L491-T529 HydrophobicContact CD2-CG2 4.41Å
492S94.9Very high95.5Very high10 Ų1037.2 Ų37.27%0.0719%0.19CC..  trans-66.6131.6-179-178.30000112F451 A488 F489 S494 V495 K500F451-S492 WeakPolarHBondContact O-CB 3.18Å; F451-S492 PolarHBondContact O-OG 3.41Å; A488-S492 WeakPolarHBondContact O-CB 3.28Å; A488-S492 PolarHBondContact O-N 2.94Å; F489-S492 PolarHBondContact O-N 3.4Å; S492-S494 PolarHBondContact O-N 2.97Å; S492-S494 WeakPolarHBondContact OG-CB 3.46Å; S492-S494 PolarHBondContact OG-N 3.45Å; S492-S494 PolarHBondContact OG-OG 3.29Å; S492-V495 PolarHBondContact O-N 2.94Å; S492-K500 WeakPolarHBondContact O-CE 3.23Å; S492-K500 PolarHBondContact O-NZ 3.04Å
493E90.7Very high95.5Very high163 Ų16337.3 Ų37.376%0.76219%0.19SC*.THydrogen-bonded Turntrans-68.8-21.4168.9-64.2-180176.300112.1L491 V495L491-E493 PolarHBondContact O-N 3.41Å; E493-V495 VanDerWaalsContact C-N 3.28Å; E493-V495 PolarHBondContact O-N 3.36Å
494S85.5Confident95.4Very high4 Ų437.4 Ų37.43%0.02819%0.19CC..THydrogen-bonded Turntrans-75.9-15.7-179.681.50000113.4F453 H457 S492F453-S494 WeakPolarHBondContact O-CB 3.36Å; H457-S494 PolarHBondContact CE1-O 3Å; H457-S494 WeakPolarHBondContact ND1-CA 3.49Å; H457-S494 PolarHBondContact ND1-O 3.45Å; S492-S494 PolarHBondContact O-N 2.97Å; S492-S494 WeakPolarHBondContact OG-CB 3.46Å; S492-S494 PolarHBondContact OG-N 3.45Å; S492-S494 PolarHBondContact OG-OG 3.29Å
495V93Very high95.3Very high2 Ų238.8 Ų38.81%0.01220%0.199CC..SBendtrans-96.2116.1179.2-177.40000108F451 I462 F489 S492 E493 L499 K500F451-V495 HydrophobicContact CD1-CG2 4.25Å; F451-V495 HydrophobicContact CE1-CG2 4.42Å; I462-V495 HydrophobicContact CD1-CG2 3.9Å; I462-V495 HydrophobicContact CG1-CG2 4.13Å; F489-V495 HydrophobicContact CD2-CG1 4.39Å; F489-V495 HydrophobicContact CD2-CG2 3.97Å; F489-V495 HydrophobicContact CE1-CG1 3.95Å; F489-V495 HydrophobicContact CE2-CG1 3.77Å; F489-V495 HydrophobicContact CE2-CG2 4.05Å; F489-V495 HydrophobicContact CG-CG2 4.41Å; F489-V495 HydrophobicContact CZ-CG1 3.53Å; S492-V495 PolarHBondContact O-N 2.94Å; E493-V495 VanDerWaalsContact C-N 3.28Å; E493-V495 PolarHBondContact O-N 3.36Å; V495-L499 HydrophobicContact CG1-CB 3.81Å; V495-K500 HydrophobicContact CB-CG 4.32Å; V495-K500 HydrophobicContact CG1-CG 3.79Å; V495-K500 WeakPolarHBondContact O-CE 3.41Å; V495-K500 PolarHBondContact O-NZ 2.87Å
496I93.5Very high95.2Very high89 Ų8940.3 Ų40.346%0.45621%0.21SC..  trans-62.1151.9176.665.5176000111.1E498 L499 K500I496-E498 VanDerWaalsContact C-N 3.25Å; I496-E498 HydrophobicContact CD1-CB 4.48Å; I496-E498 PolarHBondContact O-N 3.04Å; I496-L499 HydrophobicContact CD1-CD1 4.09Å; I496-L499 HydrophobicContact CD1-CG 4.08Å; I496-L499 HydrophobicContact CG1-CB 4.23Å; I496-L499 HydrophobicContact CG1-CD1 3.65Å; I496-L499 HydrophobicContact CG1-CG 3.62Å; I496-L499 PolarHBondContact O-N 3.31Å; I496-L499 VanDerWaalsContact O-N 3.09Å; I496-K500 PolarHBondContact O-N 3.27Å
497N94Very high95.1Very high43 Ų4340.3 Ų40.323%0.2321%0.21CC..Hα-helixtrans-60.5-33.6-171.3-73.4-26.7000113.3L499 K500 I501 T533 L534 P535N497-L499 VanDerWaalsContact C-N 3.26Å; N497-L499 PolarHBondContact O-N 3.43Å; N497-K500 WeakPolarHBondContact O-CB 3.43Å; N497-K500 PolarHBondContact O-N 2.7Å; N497-I501 WeakPolarHBondContact O-CD1 3.42Å; N497-I501 VanDerWaalsContact O-CG1 3.25Å; N497-I501 WeakPolarHBondContact O-CG1 3.43Å; N497-I501 PolarHBondContact O-N 3.33Å; N497-T533 PolarHBondContact ND2-O 3.25Å; N497-L534 HydrophobicContact CB-CD2 3.87Å; N497-P535 HydrophobicContact CB-CG 4.46Å
498E94Very high94.9Very high116 Ų11641.4 Ų41.454%0.54222%0.216SC..Hα-helixtrans-59.6-38.8178.4-63.669-148.200111.4I496 I501 G502I496-E498 VanDerWaalsContact C-N 3.25Å; I496-E498 HydrophobicContact CD1-CB 4.48Å; I496-E498 PolarHBondContact O-N 3.04Å; E498-I501 WeakPolarHBondContact O-CB 3.48Å; E498-I501 PolarHBondContact O-N 2.98Å; E498-G502 PolarHBondContact O-N 3.21Å
499L95.1Very high94.7Very high48 Ų4846.7 Ų46.725%0.25124%0.24SC..Hα-helixtrans-75.3-36.4179.1-61.5179000111.4I462 L466 F489 V495 I496 N497 I501 G502 L503I462-L499 HydrophobicContact CG2-CB 4.46Å; I462-L499 HydrophobicContact CG2-CD1 3.58Å; I462-L499 HydrophobicContact CG2-CG 4.47Å; L466-L499 HydrophobicContact CD1-CB 3.9Å; L466-L499 HydrophobicContact CD1-CD2 3.77Å; L466-L499 HydrophobicContact CD1-CG 4.33Å; F489-L499 HydrophobicContact CZ-CB 4.44Å; V495-L499 HydrophobicContact CG1-CB 3.81Å; I496-L499 HydrophobicContact CD1-CD1 4.09Å; I496-L499 HydrophobicContact CD1-CG 4.08Å; I496-L499 HydrophobicContact CG1-CB 4.23Å; I496-L499 HydrophobicContact CG1-CD1 3.65Å; I496-L499 HydrophobicContact CG1-CG 3.62Å; I496-L499 PolarHBondContact O-N 3.31Å; I496-L499 VanDerWaalsContact O-N 3.09Å; N497-L499 VanDerWaalsContact C-N 3.26Å; N497-L499 PolarHBondContact O-N 3.43Å; L499-I501 VanDerWaalsContact C-N 3.32Å; L499-I501 PolarHBondContact O-N 2.71Å; L499-G502 PolarHBondContact O-N 3.12Å; L499-G502 VanDerWaalsContact O-N 3.16Å; L499-L503 PolarHBondContact O-N 3.37Å; L499-L503 VanDerWaalsContact O-N 3.14Å
500K96Very high94.5Very high17 Ų1746.8 Ų46.87%0.07424%0.242CC..Hα-helixtrans-61.3-41.1170.9-65.4174.6172.9174.90111.6I490 S492 V495 I496 N497 G502 L503 F504 T530 L534I490-K500 WeakPolarHBondContact O-CE 3.17Å; I490-K500 PolarHBondContact O-NZ 3.1Å; S492-K500 WeakPolarHBondContact O-CE 3.23Å; S492-K500 PolarHBondContact O-NZ 3.04Å; V495-K500 HydrophobicContact CB-CG 4.32Å; V495-K500 HydrophobicContact CG1-CG 3.79Å; V495-K500 WeakPolarHBondContact O-CE 3.41Å; V495-K500 PolarHBondContact O-NZ 2.87Å; I496-K500 PolarHBondContact O-N 3.27Å; N497-K500 WeakPolarHBondContact O-CB 3.43Å; N497-K500 PolarHBondContact O-N 2.7Å; K500-G502 VanDerWaalsContact C-N 3.3Å; K500-G502 PolarHBondContact O-N 3.25Å; K500-L503 PolarHBondContact O-N 3.25Å; K500-F504 WeakPolarHBondContact O-CB 3.44Å; K500-F504 PolarHBondContact O-N 2.8Å; K500-T530 HydrophobicContact CB-CG2 4.39Å; K500-T530 HydrophobicContact CD-CG2 3.75Å; K500-L534 HydrophobicContact CB-CD2 4.13Å
501I95.6Very high94.5Very high17 Ų1746.8 Ų46.89%0.08724%0.242CC..Hα-helixtrans-62.8-38.1174.1-69159000110.9N497 E498 L499 F504 K505 L534 Y540N497-I501 WeakPolarHBondContact O-CD1 3.42Å; N497-I501 VanDerWaalsContact O-CG1 3.25Å; N497-I501 WeakPolarHBondContact O-CG1 3.43Å; N497-I501 PolarHBondContact O-N 3.33Å; E498-I501 WeakPolarHBondContact O-CB 3.48Å; E498-I501 PolarHBondContact O-N 2.98Å; L499-I501 VanDerWaalsContact C-N 3.32Å; L499-I501 PolarHBondContact O-N 2.71Å; I501-F504 WeakPolarHBondContact O-CB 3.44Å; I501-F504 PolarHBondContact O-N 3.31Å; I501-K505 HydrophobicContact CG2-CD 4.28Å; I501-K505 WeakPolarHBondContact O-CG 3.42Å; I501-K505 PolarHBondContact O-N 3.11Å; I501-L534 HydrophobicContact CD1-CD2 4.48Å; I501-L534 HydrophobicContact CG1-CD1 4.03Å; I501-L534 HydrophobicContact CG1-CD2 4.11Å; I501-Y540 HydrophobicContact CB-CE1 4.49Å; I501-Y540 HydrophobicContact CD1-CE1 4.47Å; I501-Y540 HydrophobicContact CD1-CE2 4.19Å; I501-Y540 WeakPolarHBondContact CD1-OH 3.06Å; I501-Y540 HydrophobicContact CG1-CE1 3.93Å; I501-Y540 HydrophobicContact CG1-CE2 4.29Å; I501-Y540 HydrophobicContact CG2-CE1 3.89Å
502G95.2Very high94.4Very high27 Ų2744.4 Ų44.428%0.27823%0.233SC..Hα-helixtrans-55.5-53.8172.800000112.1E498 L499 K500 F504 K505 S506E498-G502 PolarHBondContact O-N 3.21Å; L499-G502 PolarHBondContact O-N 3.12Å; L499-G502 VanDerWaalsContact O-N 3.16Å; K500-G502 VanDerWaalsContact C-N 3.3Å; K500-G502 PolarHBondContact O-N 3.25Å; G502-F504 PolarHBondContact O-N 3.22Å; G502-K505 PolarHBondContact O-N 2.92Å; G502-S506 PolarHBondContact O-N 3.41Å; G502-S506 VanDerWaalsContact O-N 3.14Å; G502-S506 PolarHBondContact O-OG 3.15Å
503L96.9Very high94.4Very high1 Ų147.6 Ų47.61%0.00525%0.252CS..Hα-helixtrans-61.6-42.5177.5-178.861.1000112.3L465 L466 L473 L486 F489 I490 L499 K500 K505 S506 L507L465-L503 HydrophobicContact CD2-CD1 4.22Å; L465-L503 HydrophobicContact CD2-CD2 4.49Å; L466-L503 HydrophobicContact CD2-CB 3.79Å; L473-L503 HydrophobicContact CD1-CD1 4Å; L473-L503 HydrophobicContact CD2-CD1 4.1Å; L486-L503 HydrophobicContact CD2-CD1 4.38Å; L486-L503 HydrophobicContact CD2-CD2 4.31Å; F489-L503 HydrophobicContact CD1-CB 4.45Å; F489-L503 HydrophobicContact CD1-CD2 3.35Å; F489-L503 HydrophobicContact CE1-CB 3.8Å; F489-L503 HydrophobicContact CE1-CD2 3.59Å; F489-L503 HydrophobicContact CE1-CG 4.34Å; F489-L503 HydrophobicContact CG-CD2 4.28Å; I490-L503 HydrophobicContact CD1-CD2 4.11Å; I490-L503 HydrophobicContact CG1-CD2 3.7Å; L499-L503 PolarHBondContact O-N 3.37Å; L499-L503 VanDerWaalsContact O-N 3.14Å; K500-L503 PolarHBondContact O-N 3.25Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.5Å; L503-S506 PolarHBondContact O-N 3.01Å; L503-L507 HydrophobicContact CD1-CD1 3.99Å; L503-L507 HydrophobicContact CD1-CG 4.14Å; L503-L507 HydrophobicContact CG-CD1 3.99Å; L503-L507 HydrophobicContact CG-CG 4.49Å; L503-L507 PolarHBondContact O-N 3.16Å; L503-L507 VanDerWaalsContact O-N 3.08Å
504F96.7Very high94.7Very high4 Ų439.8 Ų39.82%0.01822%0.215CC..Hα-helixtrans-53.4-48.3176.4177.8-78000111.4K500 I501 G502 L507 M508 F511 L527 Y540 L543 M544K500-F504 WeakPolarHBondContact O-CB 3.44Å; K500-F504 PolarHBondContact O-N 2.8Å; I501-F504 WeakPolarHBondContact O-CB 3.44Å; I501-F504 PolarHBondContact O-N 3.31Å; G502-F504 PolarHBondContact O-N 3.22Å; F504-L507 PolarHBondContact O-N 3.4Å; F504-M508 PolarHBondContact O-N 3.04Å; F504-M508 VanDerWaalsContact O-N 3.13Å; F504-F511 HydrophobicContact CD1-CZ 4.48Å; F504-F511 HydrophobicContact CD2-CZ 4.17Å; F504-F511 HydrophobicContact CE1-CE2 4.31Å; F504-F511 HydrophobicContact CE1-CZ 4.22Å; F504-F511 HydrophobicContact CE2-CE2 4.19Å; F504-F511 AromaticContact CE2-CZ 3.92Å; F504-F511 HydrophobicContact CE2-CZ 3.92Å; F504-F511 HydrophobicContact CG-CZ 4.44Å; F504-F511 AromaticContact CZ-CE2 3.88Å; F504-F511 HydrophobicContact CZ-CE2 3.88Å; F504-F511 AromaticContact CZ-CZ 3.94Å; F504-F511 HydrophobicContact CZ-CZ 3.94Å; F504-L527 HydrophobicContact CB-CD2 4.39Å; F504-L527 HydrophobicContact CD2-CD2 4.26Å; F504-Y540 HydrophobicContact CD1-CD1 4.26Å; F504-Y540 HydrophobicContact CE1-CD1 4.14Å; F504-Y540 HydrophobicContact CZ-CD1 4.32Å; F504-L543 HydrophobicContact CE1-CB 4.44Å; F504-L543 HydrophobicContact CE1-CD1 4.47Å; F504-L543 HydrophobicContact CZ-CB 4.29Å; F504-M544 HydrophobicContact CE2-CG 3.41Å; F504-M544 VanDerWaalsContact CE2-CG 3.41Å; F504-M544 HydrophobicContact CE2-SD 3.72Å; F504-M544 HydrophobicContact CZ-CG 3.54Å; F504-M544 HydrophobicContact CZ-SD 4.45Å
505K95.4Very high95.2Very high133 Ų13339.6 Ų39.658%0.57821%0.214SC*.Hα-helixtrans-64.3-41.3179.9-72.6176.6179.5-1790111.7I501 G502 L503 L507 M508I501-K505 HydrophobicContact CG2-CD 4.28Å; I501-K505 WeakPolarHBondContact O-CG 3.42Å; I501-K505 PolarHBondContact O-N 3.11Å; G502-K505 PolarHBondContact O-N 2.92Å; L503-K505 VanDerWaalsContact C-N 3.3Å; L503-K505 PolarHBondContact O-N 3.5Å; K505-L507 VanDerWaalsContact C-N 3.27Å; K505-L507 PolarHBondContact O-N 3.19Å; K505-M508 WeakPolarHBondContact O-CB 3.5Å; K505-M508 PolarHBondContact O-N 3.13Å
506S95.7Very high95.4Very high32 Ų3240.3 Ų40.322%0.22422%0.219CC..Hα-helixtrans-63.9-30.2178-60.40000113.4G502 L503G502-S506 PolarHBondContact O-N 3.41Å; G502-S506 VanDerWaalsContact O-N 3.14Å; G502-S506 PolarHBondContact O-OG 3.15Å; L503-S506 PolarHBondContact O-N 3.01Å
507L97.1Very high95.5Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-90.4-12.3179.3-68176.3000114L473 I474 A477 L503 F504 K505 N509 G510 F511 L514 V523 L527L473-L507 HydrophobicContact CB-CD2 3.81Å; I474-L507 HydrophobicContact CG1-CD2 4.1Å; A477-L507 HydrophobicContact CB-CD2 4.49Å; L503-L507 HydrophobicContact CD1-CD1 3.99Å; L503-L507 HydrophobicContact CD1-CG 4.14Å; L503-L507 HydrophobicContact CG-CD1 3.99Å; L503-L507 HydrophobicContact CG-CG 4.49Å; L503-L507 PolarHBondContact O-N 3.16Å; L503-L507 VanDerWaalsContact O-N 3.08Å; F504-L507 PolarHBondContact O-N 3.4Å; K505-L507 VanDerWaalsContact C-N 3.27Å; K505-L507 PolarHBondContact O-N 3.19Å; L507-N509 VanDerWaalsContact C-N 3.28Å; L507-N509 PolarHBondContact O-N 3.39Å; L507-G510 WeakPolarHBondContact O-CA 3.46Å; L507-G510 PolarHBondContact O-N 2.96Å; L507-F511 HydrophobicContact CB-CD1 4.43Å; L507-F511 HydrophobicContact CB-CE1 3.86Å; L507-F511 WeakPolarHBondContact O-CD1 3.49Å; L507-F511 WeakPolarHBondContact O-CE1 3.39Å; L507-F511 PolarHBondContact O-N 3.02Å; L507-L514 HydrophobicContact CD2-CD1 4.28Å; L507-V523 HydrophobicContact CD1-CG1 4.18Å; L507-L527 HydrophobicContact CD1-CD1 4.11Å
508M94.8Very high95.7Very high48 Ų4838.8 Ų38.824%0.23621%0.212CC..G310 helixtrans-55-40.2-169.7-172174.564.700113.4F504 K505 G510 F511 Q547F504-M508 PolarHBondContact O-N 3.04Å; F504-M508 VanDerWaalsContact O-N 3.13Å; K505-M508 WeakPolarHBondContact O-CB 3.5Å; K505-M508 PolarHBondContact O-N 3.13Å; M508-G510 PolarHBondContact O-N 3.19Å; M508-F511 HydrophobicContact CB-CE2 4.4Å; M508-F511 HydrophobicContact CB-CZ 4.34Å; M508-F511 HydrophobicContact CG-CD2 4.48Å; M508-F511 HydrophobicContact CG-CE2 4.18Å; M508-F511 WeakPolarHBondContact O-CG 3.31Å; M508-F511 PolarHBondContact O-N 2.92Å; M508-Q547 HydrophobicContact CG-CG 4.07Å
509N92.3Very high95.8Very high132 Ų13234 Ų3471%0.70619%0.192SC*.G310 helixtrans-70.5-15.8179.3-66.7-8000113.3L507L507-N509 VanDerWaalsContact C-N 3.28Å; L507-N509 PolarHBondContact O-N 3.39Å
510G94.6Very high95.9Very high3 Ų331.8 Ų31.83%0.03118%0.18CC..G310 helixtrans-98.5-2.4179.400000114.5L507 M508 S512 V513 L514L507-G510 WeakPolarHBondContact O-CA 3.46Å; L507-G510 PolarHBondContact O-N 2.96Å; M508-G510 PolarHBondContact O-N 3.19Å; G510-S512 VanDerWaalsContact C-N 3.31Å; G510-S512 PolarHBondContact O-N 3.02Å; G510-V513 PolarHBondContact O-N 3.07Å; G510-V513 VanDerWaalsContact O-N 3.12Å; G510-L514 WeakPolarHBondContact O-CB 3.12Å; G510-L514 VanDerWaalsContact O-CG 3.28Å; G510-L514 WeakPolarHBondContact O-CG 3.23Å; G510-L514 PolarHBondContact O-N 3.45Å
511F96.4Very high95.9Very high2 Ų231.4 Ų31.41%0.00918%0.18CC..Hα-helixtrans-56.1-40.2-169.7-76.2-3.4000114.2F504 L507 M508 L514 A515 I524 L527 M544 Q547 L548F504-F511 HydrophobicContact CD1-CZ 4.48Å; F504-F511 HydrophobicContact CD2-CZ 4.17Å; F504-F511 HydrophobicContact CE1-CE2 4.31Å; F504-F511 HydrophobicContact CE1-CZ 4.22Å; F504-F511 HydrophobicContact CE2-CE2 4.19Å; F504-F511 AromaticContact CE2-CZ 3.92Å; F504-F511 HydrophobicContact CE2-CZ 3.92Å; F504-F511 HydrophobicContact CG-CZ 4.44Å; F504-F511 AromaticContact CZ-CE2 3.88Å; F504-F511 HydrophobicContact CZ-CE2 3.88Å; F504-F511 AromaticContact CZ-CZ 3.94Å; F504-F511 HydrophobicContact CZ-CZ 3.94Å; L507-F511 HydrophobicContact CB-CD1 4.43Å; L507-F511 HydrophobicContact CB-CE1 3.86Å; L507-F511 WeakPolarHBondContact O-CD1 3.49Å; L507-F511 WeakPolarHBondContact O-CE1 3.39Å; L507-F511 PolarHBondContact O-N 3.02Å; M508-F511 HydrophobicContact CB-CE2 4.4Å; M508-F511 HydrophobicContact CB-CZ 4.34Å; M508-F511 HydrophobicContact CG-CD2 4.48Å; M508-F511 HydrophobicContact CG-CE2 4.18Å; M508-F511 WeakPolarHBondContact O-CG 3.31Å; M508-F511 PolarHBondContact O-N 2.92Å; F511-L514 PolarHBondContact O-N 2.9Å; F511-A515 VanDerWaalsContact O-CB 3.25Å; F511-A515 WeakPolarHBondContact O-CB 3.49Å; F511-A515 PolarHBondContact O-N 3.34Å; F511-I524 HydrophobicContact CB-CD1 4.19Å; F511-I524 HydrophobicContact CD1-CD1 3.52Å; F511-I524 HydrophobicContact CE1-CD1 4.09Å; F511-I524 HydrophobicContact CG-CD1 3.96Å; F511-L527 HydrophobicContact CE1-CD1 3.69Å; F511-L527 HydrophobicContact CZ-CD1 4.09Å; F511-M544 HydrophobicContact CD2-CG 4.46Å; F511-M544 HydrophobicContact CE2-CB 4.42Å; F511-M544 HydrophobicContact CE2-CG 3.77Å; F511-M544 HydrophobicContact CZ-CG 4.4Å; F511-Q547 HydrophobicContact CD2-CB 4.18Å; F511-L548 HydrophobicContact CB-CD2 3.98Å; F511-L548 HydrophobicContact CB-CG 4.42Å; F511-L548 WeakPolarHBondContact O-CD2 3.4Å
512S94.1Very high96Very high42 Ų4234.2 Ų34.229%0.29419%0.193SC..Hα-helixtrans-60-48.8177.5530000112.1G510G510-S512 VanDerWaalsContact C-N 3.31Å; G510-S512 PolarHBondContact O-N 3.02Å
513V95Very high96.2Very high76 Ų7633 Ų3346%0.46118%0.18SC..Hα-helixtrans-66.6-42.9179.3179.40000110.8Q478 G510 C516 H517Q478-V513 VanDerWaalsContact NE2-CG1 3.28Å; G510-V513 PolarHBondContact O-N 3.07Å; G510-V513 VanDerWaalsContact O-N 3.12Å; V513-C516 PolarHBondContact O-N 2.89Å; V513-H517 PolarHBondContact O-N 3.35Å
514L97.2Very high96.2Very high0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-67-42.1-178.7-66.5178.7000112I474 A477 Q478 L507 G510 F511 C516 H517 G520 S521 I524I474-L514 HydrophobicContact CG2-CD2 4.29Å; A477-L514 HydrophobicContact CB-CD1 3.93Å; A477-L514 HydrophobicContact CB-CD2 3.52Å; A477-L514 HydrophobicContact CB-CG 4.37Å; Q478-L514 HydrophobicContact CG-CD2 3.57Å; L507-L514 HydrophobicContact CD2-CD1 4.28Å; G510-L514 WeakPolarHBondContact O-CB 3.12Å; G510-L514 VanDerWaalsContact O-CG 3.28Å; G510-L514 WeakPolarHBondContact O-CG 3.23Å; G510-L514 PolarHBondContact O-N 3.45Å; F511-L514 PolarHBondContact O-N 2.9Å; L514-C516 PolarHBondContact O-N 2.88Å; L514-H517 WeakPolarHBondContact O-CB 3.09Å; L514-H517 PolarHBondContact O-N 2.94Å; L514-G520 CarbonylContact O-C 3.58Å; L514-G520 WeakPolarHBondContact O-CA 3.48Å; L514-S521 PolarHBondContact O-N 3Å; L514-I524 HydrophobicContact CB-CD1 3.96Å; L514-I524 HydrophobicContact CB-CG1 3.84Å; L514-I524 HydrophobicContact CD1-CD1 4.41Å
515A97.1Very high96.2Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-61.4-29.117900000112.9F511 I524 L548 L555 G561 I564F511-A515 VanDerWaalsContact O-CB 3.25Å; F511-A515 WeakPolarHBondContact O-CB 3.49Å; F511-A515 PolarHBondContact O-N 3.34Å; A515-I524 HydrophobicContact CB-CG1 4.35Å; A515-L548 HydrophobicContact CB-CD2 3.81Å; A515-L555 HydrophobicContact CB-CD2 3.58Å; A515-G561 WeakPolarHBondContact O-CA 3.32Å; A515-G561 PolarHBondContact O-N 2.95Å; A515-I564 HydrophobicContact CB-CB 4.31Å; A515-I564 HydrophobicContact CB-CG1 4.14Å; A515-I564 HydrophobicContact CB-CG2 4.08Å
516C96.2Very high96.3Very high17 Ų1729.9 Ų29.912%0.11517%0.168CC..THydrogen-bonded Turntrans-88.61.1174-71.40000114.1V513 L514 H554 H558V513-C516 PolarHBondContact O-N 2.89Å; L514-C516 PolarHBondContact O-N 2.88Å; C516-H554 VanDerWaalsContact SG-CD2 3.5Å; C516-H558 PolarHBondContact O-CE1 3.38Å; C516-H558 PolarHBondContact O-ND1 3.42Å
517H96.6Very high96.4Very high48 Ų4828.6 Ų28.622%0.22216%0.159CC..SBendtrans-97.5141.7-177.7-165.6-89.2000112Q478 V513 L514 S519 G520 S521Q478-H517 HydrophobicContact CG-CB 4.41Å; Q478-H517 PolarHBondContact O-CE1 2.95Å; Q478-H517 PolarHBondContact O-ND1 3Å; V513-H517 PolarHBondContact O-N 3.35Å; L514-H517 WeakPolarHBondContact O-CB 3.09Å; L514-H517 PolarHBondContact O-N 2.94Å; H517-S519 VanDerWaalsContact C-N 3.33Å; H517-S519 PolarHBondContact ND1-N 3.01Å; H517-S519 VanDerWaalsContact ND1-N 3.14Å; H517-S519 PolarHBondContact O-N 3.3Å; H517-G520 PolarHBondContact ND1-N 3.4Å; H517-G520 PolarHBondContact O-N 3.31Å; H517-S521 VanDerWaalsContact O-CB 3.22Å; H517-S521 WeakPolarHBondContact O-CB 3.42Å; H517-S521 PolarHBondContact O-N 2.88Å; H517-S521 PolarHBondContact O-OG 3.32Å
518P96.8Very high96.3Very high51 Ų5129.4 Ų29.433%0.33116%0.162SC..Hα-helixtrans-53.3-47176.415.3-28.8000113S521 H522 Y560P518-S521 PolarHBondContact O-OG 3.42Å; P518-H522 PolarHBondContact O-CD2 2.89Å; P518-Y560 HydrophobicContact CB-CD1 4.45Å; P518-Y560 HydrophobicContact CB-CD2 4.33Å; P518-Y560 HydrophobicContact CB-CE1 3.92Å; P518-Y560 HydrophobicContact CB-CE2 3.81Å; P518-Y560 HydrophobicContact CG-CE2 4.04Å
519S97Very high96.3Very high17 Ų1730 Ų3012%0.11917%0.168CC..Hα-helixtrans-83.7-36.1177.1-51.60000113.2A477 Y480 H517 S521 H522A477-S519 CarbonylContact O-C 3.02Å; Y480-S519 WeakPolarHBondContact CA-OG 3.49Å; H517-S519 VanDerWaalsContact C-N 3.33Å; H517-S519 PolarHBondContact ND1-N 3.01Å; H517-S519 VanDerWaalsContact ND1-N 3.14Å; H517-S519 PolarHBondContact O-N 3.3Å; S519-S521 VanDerWaalsContact C-N 3.33Å; S519-S521 PolarHBondContact O-N 3.21Å; S519-H522 PolarHBondContact O-N 3.16Å
520G97.4Very high96.4Very high0 Ų024.1 Ų24.10%014%0.137CC..Hα-helixtrans-71.1-30.7-174.900000112.5A477 L514 H517 H522 V523 I524A477-G520 VanDerWaalsContact O-CA 3.25Å; A477-G520 WeakPolarHBondContact O-CA 3.5Å; A477-G520 PolarHBondContact O-N 3.35Å; L514-G520 CarbonylContact O-C 3.58Å; L514-G520 WeakPolarHBondContact O-CA 3.48Å; H517-G520 PolarHBondContact ND1-N 3.4Å; H517-G520 PolarHBondContact O-N 3.31Å; G520-H522 VanDerWaalsContact C-N 3.27Å; G520-H522 PolarHBondContact O-N 3.46Å; G520-V523 WeakPolarHBondContact O-CB 3.46Å; G520-V523 PolarHBondContact O-N 3.47Å; G520-I524 WeakPolarHBondContact O-CG1 3.44Å; G520-I524 PolarHBondContact O-N 3.49Å
521S97Very high96.3Very high10 Ų1024 Ų247%0.0714%0.136CC..Hα-helixtrans-60.8-38.2177.157.50000111.5L514 H517 P518 S519 I524 E525 I564L514-S521 PolarHBondContact O-N 3Å; H517-S521 VanDerWaalsContact O-CB 3.22Å; H517-S521 WeakPolarHBondContact O-CB 3.42Å; H517-S521 PolarHBondContact O-N 2.88Å; H517-S521 PolarHBondContact O-OG 3.32Å; P518-S521 PolarHBondContact O-OG 3.42Å; S519-S521 VanDerWaalsContact C-N 3.33Å; S519-S521 PolarHBondContact O-N 3.21Å; S521-I524 PolarHBondContact O-N 3.47Å; S521-E525 PolarHBondContact O-N 2.94Å; S521-I564 WeakPolarHBondContact O-CD1 3.34Å
522H97.6Very high96.1Very high76 Ų7625.1 Ų25.135%0.35214%0.142SC..Hα-helixtrans-65.6-37.1173.2-65.5-60.4000112.9P518 S519 G520 E525 A526P518-H522 PolarHBondContact O-CD2 2.89Å; S519-H522 PolarHBondContact O-N 3.16Å; G520-H522 VanDerWaalsContact C-N 3.27Å; G520-H522 PolarHBondContact O-N 3.46Å; H522-E525 PolarHBondContact O-N 2.99Å; H522-A526 WeakPolarHBondContact O-CB 3.44Å; H522-A526 PolarHBondContact O-N 3.49Å
523V98Very high95.9Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-64.2-42173.6-178.20000110.9A477 E487 I490 L507 G520 E525 A526 L527A477-V523 HydrophobicContact CB-CB 4.35Å; A477-V523 HydrophobicContact CB-CG1 4.2Å; A477-V523 HydrophobicContact CB-CG2 4.04Å; E487-V523 HydrophobicContact CG-CG2 4.27Å; I490-V523 HydrophobicContact CD1-CG1 3.87Å; L507-V523 HydrophobicContact CD1-CG1 4.18Å; G520-V523 WeakPolarHBondContact O-CB 3.46Å; G520-V523 PolarHBondContact O-N 3.47Å; V523-E525 VanDerWaalsContact C-N 3.34Å; V523-E525 PolarHBondContact O-N 3.22Å; V523-A526 PolarHBondContact O-N 2.85Å; V523-L527 WeakPolarHBondContact O-CG 3.45Å; V523-L527 PolarHBondContact O-N 3.43Å
524I97.7Very high95.7Very high0 Ų023.5 Ų23.50%013%0.13CC..Hα-helixtrans-62-42.5174.5-64.5-62.8000111F511 L514 A515 G520 S521 L527 W528 M544 L548 I564F511-I524 HydrophobicContact CB-CD1 4.19Å; F511-I524 HydrophobicContact CD1-CD1 3.52Å; F511-I524 HydrophobicContact CE1-CD1 4.09Å; F511-I524 HydrophobicContact CG-CD1 3.96Å; L514-I524 HydrophobicContact CB-CD1 3.96Å; L514-I524 HydrophobicContact CB-CG1 3.84Å; L514-I524 HydrophobicContact CD1-CD1 4.41Å; A515-I524 HydrophobicContact CB-CG1 4.35Å; G520-I524 WeakPolarHBondContact O-CG1 3.44Å; G520-I524 PolarHBondContact O-N 3.49Å; S521-I524 PolarHBondContact O-N 3.47Å; I524-L527 HydrophobicContact CD1-CD1 4.47Å; I524-L527 PolarHBondContact O-N 3.27Å; I524-W528 WeakPolarHBondContact O-CB 3.35Å; I524-W528 PolarHBondContact O-N 3.24Å; I524-M544 HydrophobicContact CG2-CE 3.89Å; I524-L548 HydrophobicContact CG2-CD1 4.46Å; I524-I564 HydrophobicContact CB-CD1 4.3Å; I524-I564 HydrophobicContact CG2-CD1 4.11Å; I524-I564 HydrophobicContact CG2-CG1 4.45Å; I524-I564 HydrophobicContact CG2-CG2 3.81Å
525E96.8Very high95.2Very high68 Ų6826.4 Ų26.432%0.31815%0.149SC..Hα-helixtrans-63.2-40.1175.2-177.1169.9-160.600112.3S521 H522 V523 W528 T529 K567S521-E525 PolarHBondContact O-N 2.94Å; H522-E525 PolarHBondContact O-N 2.99Å; V523-E525 VanDerWaalsContact C-N 3.34Å; V523-E525 PolarHBondContact O-N 3.22Å; E525-W528 PolarHBondContact O-N 3.23Å; E525-T529 WeakPolarHBondContact O-CB 3.38Å; E525-T529 PolarHBondContact O-N 3.44Å; E525-T529 PolarHBondContact O-OG1 2.9Å; E525-K567 IonicContact OE1-NZ 3.97Å; E525-K567 PolarHBondContact OE1-NZ 3.08Å
526A97Very high94.8Very high5 Ų532.8 Ų32.84%0.04118%0.179CC..Hα-helixtrans-64.4-43.7175.900000111.9E487 I490 L491 H522 V523 T529 T530E487-A526 HydrophobicContact CB-CB 4.47Å; E487-A526 HydrophobicContact CG-CB 4.06Å; I490-A526 HydrophobicContact CB-CB 4.4Å; I490-A526 HydrophobicContact CD1-CB 4.39Å; I490-A526 VanDerWaalsContact CG2-C 3.5Å; I490-A526 HydrophobicContact CG2-CB 3.91Å; I490-A526 WeakPolarHBondContact CG2-O 3.44Å; L491-A526 HydrophobicContact CD1-CB 4.38Å; L491-A526 HydrophobicContact CD2-CB 4.36Å; L491-A526 HydrophobicContact CG-CB 4.25Å; H522-A526 WeakPolarHBondContact O-CB 3.44Å; H522-A526 PolarHBondContact O-N 3.49Å; V523-A526 PolarHBondContact O-N 2.85Å; A526-T529 PolarHBondContact O-N 2.95Å; A526-T530 VanDerWaalsContact O-CB 3.32Å; A526-T530 WeakPolarHBondContact O-CB 3.26Å; A526-T530 PolarHBondContact O-N 3.39Å; A526-T530 PolarHBondContact O-OG1 3.43Å; A526-T530 VanDerWaalsContact O-OG1 3.06Å
527L97.1Very high94.5Very high6 Ų633.1 Ų33.13%0.03118%0.18CC..Hα-helixtrans-60.2-48.8174.3-73.6173.4000110.9I490 F504 L507 F511 V523 I524 T529 T530 T531 M544I490-L527 HydrophobicContact CD1-CD2 3.71Å; I490-L527 HydrophobicContact CD1-CG 3.87Å; I490-L527 HydrophobicContact CG1-CD2 3.94Å; I490-L527 HydrophobicContact CG2-CD2 4.3Å; F504-L527 HydrophobicContact CB-CD2 4.39Å; F504-L527 HydrophobicContact CD2-CD2 4.26Å; L507-L527 HydrophobicContact CD1-CD1 4.11Å; F511-L527 HydrophobicContact CE1-CD1 3.69Å; F511-L527 HydrophobicContact CZ-CD1 4.09Å; V523-L527 WeakPolarHBondContact O-CG 3.45Å; V523-L527 PolarHBondContact O-N 3.43Å; I524-L527 HydrophobicContact CD1-CD1 4.47Å; I524-L527 PolarHBondContact O-N 3.27Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 3.42Å; L527-T530 PolarHBondContact O-N 3.41Å; L527-T531 VanDerWaalsContact O-CG2 3.32Å; L527-T531 WeakPolarHBondContact O-CG2 3.45Å; L527-T531 PolarHBondContact O-N 2.89Å; L527-M544 HydrophobicContact CB-CE 3.97Å; L527-M544 HydrophobicContact CB-SD 4.41Å
528W95.8Very high94.4Very high16 Ų1632.5 Ų32.56%0.06118%0.179CC..Hα-helixtrans-57.2-46177.2177-104.2000111.7I524 E525 T530 T531 K541 M544 L568 W580 N584I524-W528 WeakPolarHBondContact O-CB 3.35Å; I524-W528 PolarHBondContact O-N 3.24Å; E525-W528 PolarHBondContact O-N 3.23Å; W528-T530 VanDerWaalsContact C-N 3.33Å; W528-T530 PolarHBondContact O-N 3.34Å; W528-T531 PolarHBondContact O-N 3.42Å; W528-T531 PolarHBondContact O-OG1 3.45Å; W528-K541 HydrophobicContact CE3-CB 4.38Å; W528-K541 HydrophobicContact CE3-CG 4.03Å; W528-K541 HydrophobicContact CH2-CB 3.8Å; W528-K541 HydrophobicContact CH2-CD 3.68Å; W528-K541 HydrophobicContact CH2-CG 3.72Å; W528-K541 HydrophobicContact CZ2-CD 4.06Å; W528-K541 HydrophobicContact CZ2-CG 4.41Å; W528-K541 HydrophobicContact CZ3-CB 3.51Å; W528-K541 HydrophobicContact CZ3-CD 4.03Å; W528-K541 HydrophobicContact CZ3-CG 3.52Å; W528-M544 HydrophobicContact CB-CE 4.12Å; W528-M544 HydrophobicContact CB-SD 4.24Å; W528-M544 HydrophobicContact CE3-SD 3.91Å; W528-L568 HydrophobicContact CB-CD1 4.13Å; W528-L568 HydrophobicContact CD2-CD1 3.71Å; W528-L568 HydrophobicContact CD2-CG 3.72Å; W528-L568 HydrophobicContact CE3-CD1 4.05Å; W528-L568 HydrophobicContact CE3-CD2 4.02Å; W528-L568 HydrophobicContact CE3-CG 3.58Å; W528-L568 HydrophobicContact CG-CD1 3.74Å; W528-L568 HydrophobicContact CG-CG 4.28Å; W528-L568 HydrophobicContact CH2-CG 4.21Å; W528-L568 HydrophobicContact CZ2-CG 4.33Å; W528-L568 HydrophobicContact CZ3-CD2 4.29Å; W528-L568 HydrophobicContact CZ3-CG 3.82Å; W528-W580 HydrophobicContact CH2-CH2 4.17Å; W528-W580 AromaticContact CH2-CZ2 3.6Å; W528-W580 HydrophobicContact CH2-CZ2 3.6Å; W528-W580 HydrophobicContact CZ3-CH2 4.47Å; W528-W580 HydrophobicContact CZ3-CZ2 4.11Å; W528-N584 VanDerWaalsContact CZ2-OD1 3.31Å; W528-N584 WeakPolarHBondContact CZ2-OD1 3.41Å
529T94.6Very high94.2Very high60 Ų6033.4 Ų33.437%0.36818%0.18SC..Hα-helixtrans-61.6-43.9178-58.60000111.2L491 E525 A526 L527 T531 N532L491-T529 HydrophobicContact CD2-CG2 4.41Å; E525-T529 WeakPolarHBondContact O-CB 3.38Å; E525-T529 PolarHBondContact O-N 3.44Å; E525-T529 PolarHBondContact O-OG1 2.9Å; A526-T529 PolarHBondContact O-N 2.95Å; L527-T529 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 3.42Å; T529-T531 VanDerWaalsContact C-N 3.31Å; T529-T531 PolarHBondContact O-N 3.25Å; T529-N532 WeakPolarHBondContact O-CB 3.49Å; T529-N532 PolarHBondContact O-N 3.06Å; T529-N532 PolarHBondContact O-ND2 3.26Å
530T94.1Very high94.1Very high9 Ų934.3 Ų34.36%0.05518%0.181CC..Hα-helixtrans-66.1-28.2179.5-71.80000113.5I490 K500 A526 L527 W528 N532 T533 L534I490-T530 HydrophobicContact CG2-CG2 4.17Å; I490-T530 WeakPolarHBondContact CG2-OG1 3.3Å; I490-T530 PolarHBondContact O-OG1 3.27Å; I490-T530 VanDerWaalsContact O-OG1 3.09Å; K500-T530 HydrophobicContact CB-CG2 4.39Å; K500-T530 HydrophobicContact CD-CG2 3.75Å; A526-T530 VanDerWaalsContact O-CB 3.32Å; A526-T530 WeakPolarHBondContact O-CB 3.26Å; A526-T530 PolarHBondContact O-N 3.39Å; A526-T530 PolarHBondContact O-OG1 3.43Å; A526-T530 VanDerWaalsContact O-OG1 3.06Å; L527-T530 PolarHBondContact O-N 3.41Å; W528-T530 VanDerWaalsContact C-N 3.33Å; W528-T530 PolarHBondContact O-N 3.34Å; T530-N532 PolarHBondContact O-N 3.22Å; T530-T533 PolarHBondContact O-N 2.92Å; T530-T533 PolarHBondContact O-OG1 3.39Å; T530-L534 HydrophobicContact CG2-CD2 4.22Å; T530-L534 HydrophobicContact CG2-CG 4.49Å
531T93.8Very high93.9Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-53.5-29.3174.766.60000112.4L527 W528 T529 T533 L534 P537 K541 M544L527-T531 VanDerWaalsContact O-CG2 3.32Å; L527-T531 WeakPolarHBondContact O-CG2 3.45Å; L527-T531 PolarHBondContact O-N 2.89Å; W528-T531 PolarHBondContact O-N 3.42Å; W528-T531 PolarHBondContact O-OG1 3.45Å; T529-T531 VanDerWaalsContact C-N 3.31Å; T529-T531 PolarHBondContact O-N 3.25Å; T531-T533 PolarHBondContact O-N 3.39Å; T531-T533 VanDerWaalsContact O-N 3.11Å; T531-L534 PolarHBondContact O-N 3.12Å; T531-P537 WeakPolarHBondContact O-CA 3.12Å; T531-P537 VanDerWaalsContact O-CB 3.29Å; T531-P537 WeakPolarHBondContact O-CB 3.4Å; T531-K541 HydrophobicContact CG2-CG 4.26Å; T531-K541 WeakPolarHBondContact OG1-CE 3.42Å; T531-K541 WeakPolarHBondContact OG1-CG 3.21Å; T531-M544 HydrophobicContact CG2-SD 4.03Å
532N91.3Very high93.8Very high27 Ų2736.7 Ų36.714%0.14419%0.191CC..THydrogen-bonded Turntrans-69.4-2.4176.5-54.7-61.8000114.4T529 T530 K541 H588T529-N532 WeakPolarHBondContact O-CB 3.49Å; T529-N532 PolarHBondContact O-N 3.06Å; T529-N532 PolarHBondContact O-ND2 3.26Å; T530-N532 PolarHBondContact O-N 3.22Å; N532-K541 WeakPolarHBondContact OD1-CE 3.5Å; N532-K541 PolarHBondContact OD1-NZ 2.93Å; N532-H588 VanDerWaalsContact C-CE1 3.41Å; N532-H588 VanDerWaalsContact CA-NE2 3.28Å; N532-H588 WeakPolarHBondContact CA-NE2 3.44Å; N532-H588 PolarHBondContact O-CE1 3.39Å; N532-H588 PolarHBondContact O-NE2 3.03Å
533T89.7Confident93.6Very high73 Ų7336.2 Ų36.245%0.44819%0.191SC..THydrogen-bonded Turntrans-114.5-11.7177.866.10000112.3N497 T530 T531N497-T533 PolarHBondContact ND2-O 3.25Å; T530-T533 PolarHBondContact O-N 2.92Å; T530-T533 PolarHBondContact O-OG1 3.39Å; T531-T533 PolarHBondContact O-N 3.39Å; T531-T533 VanDerWaalsContact O-N 3.11Å
534L91.3Very high93.5Very high10 Ų1036.2 Ų36.25%0.05219%0.191CC..SBendtrans-78.3154.4-175.8-58.8-177.7000111.8N497 K500 I501 T530 T531 Q536 P537 Y540N497-L534 HydrophobicContact CB-CD2 3.87Å; K500-L534 HydrophobicContact CB-CD2 4.13Å; I501-L534 HydrophobicContact CD1-CD2 4.48Å; I501-L534 HydrophobicContact CG1-CD1 4.03Å; I501-L534 HydrophobicContact CG1-CD2 4.11Å; T530-L534 HydrophobicContact CG2-CD2 4.22Å; T530-L534 HydrophobicContact CG2-CG 4.49Å; T531-L534 PolarHBondContact O-N 3.12Å; L534-Q536 PolarHBondContact O-N 3.46Å; L534-P537 VanDerWaalsContact O-CD 3.28Å; L534-P537 WeakPolarHBondContact O-CD 3.48Å; L534-P537 WeakPolarHBondContact O-CG 3.39Å; L534-Y540 HydrophobicContact CB-CD2 4.02Å; L534-Y540 HydrophobicContact CB-CE2 4.18Å; L534-Y540 HydrophobicContact CD1-CD1 4.23Å; L534-Y540 HydrophobicContact CD1-CD2 3.69Å; L534-Y540 HydrophobicContact CD1-CE2 4.12Å; L534-Y540 HydrophobicContact CD1-CG 3.75Å
535P86.7Confident93.3Very high61 Ų6136.2 Ų36.240%0.39619%0.191SC..SBendtrans-57.5134.2163.7-19.531.7000109.6N497 Y540N497-P535 HydrophobicContact CB-CG 4.46Å; P535-Y540 VanDerWaalsContact O-CE2 3.27Å; P535-Y540 WeakPolarHBondContact O-CE2 3.38Å
536Q88.5Confident93.2Very high135 Ų13539.2 Ų39.263%0.63120%0.203SC*.SBendtrans51.560.6-177.2-54.7-179.381.500115.2L534 I538 I539L534-Q536 PolarHBondContact O-N 3.46Å; Q536-I538 PolarHBondContact O-N 3.27Å; Q536-I538 VanDerWaalsContact O-N 3.08Å; Q536-I539 HydrophobicContact CB-CD1 3.66Å; Q536-I539 HydrophobicContact CB-CG1 4.06Å; Q536-I539 HydrophobicContact CG-CD1 4.29Å; Q536-I539 WeakPolarHBondContact O-CB 3.3Å; Q536-I539 PolarHBondContact O-N 2.95Å; Q536-I539 VanDerWaalsContact O-N 3.07Å; Q536-I539 VanDerWaalsContact OE1-CD1 3.27Å
537P90.8Very high93Very high23 Ų2342.3 Ų42.315%0.14922%0.216CC..Hα-helixtrans-48.9-41.2-175.2-25.430.8000115.2T531 L534 I539 Y540 K541 H588T531-P537 WeakPolarHBondContact O-CA 3.12Å; T531-P537 VanDerWaalsContact O-CB 3.29Å; T531-P537 WeakPolarHBondContact O-CB 3.4Å; L534-P537 VanDerWaalsContact O-CD 3.28Å; L534-P537 WeakPolarHBondContact O-CD 3.48Å; L534-P537 WeakPolarHBondContact O-CG 3.39Å; P537-I539 PolarHBondContact O-N 2.93Å; P537-Y540 PolarHBondContact O-N 2.99Å; P537-K541 WeakPolarHBondContact O-CG 3.31Å; P537-K541 PolarHBondContact O-N 3.05Å; P537-K541 VanDerWaalsContact O-N 3.07Å; P537-H588 WeakPolarHBondContact CB-NE2 3.38Å; P537-H588 VanDerWaalsContact CG-CD2 3.44Å; P537-H588 WeakPolarHBondContact CG-CD2 3.3Å; P537-H588 WeakPolarHBondContact CG-CE1 3.22Å; P537-H588 WeakPolarHBondContact CG-NE2 3.37Å
538I92.8Very high92.9Very high36 Ų3642 Ų4219%0.18522%0.215CC..Hα-helixtrans-63.2-32.9-174.4-165.760.1000111.9Q536 K541 E542 W580 L581 N584 K585Q536-I538 PolarHBondContact O-N 3.27Å; Q536-I538 VanDerWaalsContact O-N 3.08Å; I538-K541 PolarHBondContact O-N 3.44Å; I538-E542 VanDerWaalsContact O-CB 3.31Å; I538-E542 WeakPolarHBondContact O-CB 3.3Å; I538-E542 PolarHBondContact O-N 3.45Å; I538-W580 HydrophobicContact CD1-CZ3 4.21Å; I538-L581 HydrophobicContact CD1-CD2 3.72Å; I538-L581 HydrophobicContact CG1-CD2 3.65Å; I538-N584 HydrophobicContact CD1-CB 3.83Å; I538-K585 HydrophobicContact CB-CG 4.45Å; I538-K585 HydrophobicContact CD1-CG 4.16Å; I538-K585 HydrophobicContact CG1-CG 4.12Å
539I93.1Very high92.7Very high70 Ų7042.6 Ų42.636%0.35922%0.22SC..Hα-helixtrans-62.2-49.5178.6-62.9-178.3000109.7Q536 P537 E542 L543Q536-I539 HydrophobicContact CB-CD1 3.66Å; Q536-I539 HydrophobicContact CB-CG1 4.06Å; Q536-I539 HydrophobicContact CG-CD1 4.29Å; Q536-I539 WeakPolarHBondContact O-CB 3.3Å; Q536-I539 PolarHBondContact O-N 2.95Å; Q536-I539 VanDerWaalsContact O-N 3.07Å; Q536-I539 VanDerWaalsContact OE1-CD1 3.27Å; P537-I539 PolarHBondContact O-N 2.93Å; I539-E542 PolarHBondContact O-N 3.26Å; I539-L543 HydrophobicContact CG2-CD1 4.26Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.41Å; I539-L543 PolarHBondContact O-N 3.26Å
540Y94.2Very high92.4Very high36 Ų3645.9 Ų45.914%0.14124%0.235CC..Hα-helixtrans-68.5-38.8-178.8-63.7-75.2000112.4I501 F504 L534 P535 P537 L543 M544I501-Y540 HydrophobicContact CB-CE1 4.49Å; I501-Y540 HydrophobicContact CD1-CE1 4.47Å; I501-Y540 HydrophobicContact CD1-CE2 4.19Å; I501-Y540 WeakPolarHBondContact CD1-OH 3.06Å; I501-Y540 HydrophobicContact CG1-CE1 3.93Å; I501-Y540 HydrophobicContact CG1-CE2 4.29Å; I501-Y540 HydrophobicContact CG2-CE1 3.89Å; F504-Y540 HydrophobicContact CD1-CD1 4.26Å; F504-Y540 HydrophobicContact CE1-CD1 4.14Å; F504-Y540 HydrophobicContact CZ-CD1 4.32Å; L534-Y540 HydrophobicContact CB-CD2 4.02Å; L534-Y540 HydrophobicContact CB-CE2 4.18Å; L534-Y540 HydrophobicContact CD1-CD1 4.23Å; L534-Y540 HydrophobicContact CD1-CD2 3.69Å; L534-Y540 HydrophobicContact CD1-CE2 4.12Å; L534-Y540 HydrophobicContact CD1-CG 3.75Å; P535-Y540 VanDerWaalsContact O-CE2 3.27Å; P535-Y540 WeakPolarHBondContact O-CE2 3.38Å; P537-Y540 PolarHBondContact O-N 2.99Å; Y540-L543 HydrophobicContact CD1-CD1 4.47Å; Y540-L543 PolarHBondContact O-N 3.19Å; Y540-M544 WeakPolarHBondContact O-CG 3.43Å; Y540-M544 PolarHBondContact O-N 3.17Å
541K94.8Very high92.2Very high2 Ų247.6 Ų47.61%0.00925%0.246CC..Hα-helixtrans-59.6-47.3173.2-72.1-173174.7-175.50111.5W528 T531 N532 P537 I538 L543 M544 A545 W580 N584W528-K541 HydrophobicContact CE3-CB 4.38Å; W528-K541 HydrophobicContact CE3-CG 4.03Å; W528-K541 HydrophobicContact CH2-CB 3.8Å; W528-K541 HydrophobicContact CH2-CD 3.68Å; W528-K541 HydrophobicContact CH2-CG 3.72Å; W528-K541 HydrophobicContact CZ2-CD 4.06Å; W528-K541 HydrophobicContact CZ2-CG 4.41Å; W528-K541 HydrophobicContact CZ3-CB 3.51Å; W528-K541 HydrophobicContact CZ3-CD 4.03Å; W528-K541 HydrophobicContact CZ3-CG 3.52Å; T531-K541 HydrophobicContact CG2-CG 4.26Å; T531-K541 WeakPolarHBondContact OG1-CE 3.42Å; T531-K541 WeakPolarHBondContact OG1-CG 3.21Å; N532-K541 WeakPolarHBondContact OD1-CE 3.5Å; N532-K541 PolarHBondContact OD1-NZ 2.93Å; P537-K541 WeakPolarHBondContact O-CG 3.31Å; P537-K541 PolarHBondContact O-N 3.05Å; P537-K541 VanDerWaalsContact O-N 3.07Å; I538-K541 PolarHBondContact O-N 3.44Å; K541-L543 VanDerWaalsContact C-N 3.33Å; K541-L543 PolarHBondContact O-N 3.44Å; K541-M544 PolarHBondContact O-N 2.87Å; K541-A545 PolarHBondContact O-N 2.8Å; K541-W580 HydrophobicContact CB-CH2 3.81Å; K541-N584 HydrophobicContact CD-CB 3.94Å; K541-N584 PolarHBondContact NZ-O 3.21Å; K541-N584 PolarHBondContact NZ-OD1 3.39Å
542E94.2Very high92.1Very high58 Ų5848 Ų4827%0.27125%0.248SC..Hα-helixtrans-63.5-39.6179.6-176.3175.2177.800111.4I538 I539 M544 A545 K546 Y573 K577 W580I538-E542 VanDerWaalsContact O-CB 3.31Å; I538-E542 WeakPolarHBondContact O-CB 3.3Å; I538-E542 PolarHBondContact O-N 3.45Å; I539-E542 PolarHBondContact O-N 3.26Å; E542-M544 PolarHBondContact O-N 3.47Å; E542-A545 PolarHBondContact O-N 3.03Å; E542-K546 VanDerWaalsContact O-CB 3.26Å; E542-K546 WeakPolarHBondContact O-CB 3.49Å; E542-K546 PolarHBondContact O-N 3.4Å; E542-Y573 HydrophobicContact CG-CE2 4.2Å; E542-K577 WeakPolarHBondContact OE1-CE 3.47Å; E542-K577 IonicContact OE1-NZ 3.59Å; E542-K577 PolarHBondContact OE1-NZ 2.63Å; E542-W580 HydrophobicContact CB-CZ3 4.34Å
543L93.9Very high92.1Very high66 Ų6653.1 Ų53.135%0.34628%0.276SS..Hα-helixtrans-59.5-46173.8-72.8172.2000112.1F504 I539 Y540 K541 Q547F504-L543 HydrophobicContact CE1-CB 4.44Å; F504-L543 HydrophobicContact CE1-CD1 4.47Å; F504-L543 HydrophobicContact CZ-CB 4.29Å; I539-L543 HydrophobicContact CG2-CD1 4.26Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.41Å; I539-L543 PolarHBondContact O-N 3.26Å; Y540-L543 HydrophobicContact CD1-CD1 4.47Å; Y540-L543 PolarHBondContact O-N 3.19Å; K541-L543 VanDerWaalsContact C-N 3.33Å; K541-L543 PolarHBondContact O-N 3.44Å; L543-Q547 WeakPolarHBondContact O-CG 3.28Å; L543-Q547 PolarHBondContact O-N 2.8Å; L543-Q547 VanDerWaalsContact O-N 3.08Å
544M95Very high92.2Very high0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-60.9-48.7175.7-66.9-175.877.700111.5F504 F511 I524 L527 W528 T531 Y540 K541 E542 K546 Q547 L548 L568F504-M544 HydrophobicContact CE2-CG 3.41Å; F504-M544 VanDerWaalsContact CE2-CG 3.41Å; F504-M544 HydrophobicContact CE2-SD 3.72Å; F504-M544 HydrophobicContact CZ-CG 3.54Å; F504-M544 HydrophobicContact CZ-SD 4.45Å; F511-M544 HydrophobicContact CD2-CG 4.46Å; F511-M544 HydrophobicContact CE2-CB 4.42Å; F511-M544 HydrophobicContact CE2-CG 3.77Å; F511-M544 HydrophobicContact CZ-CG 4.4Å; I524-M544 HydrophobicContact CG2-CE 3.89Å; L527-M544 HydrophobicContact CB-CE 3.97Å; L527-M544 HydrophobicContact CB-SD 4.41Å; W528-M544 HydrophobicContact CB-CE 4.12Å; W528-M544 HydrophobicContact CB-SD 4.24Å; W528-M544 HydrophobicContact CE3-SD 3.91Å; T531-M544 HydrophobicContact CG2-SD 4.03Å; Y540-M544 WeakPolarHBondContact O-CG 3.43Å; Y540-M544 PolarHBondContact O-N 3.17Å; K541-M544 PolarHBondContact O-N 2.87Å; E542-M544 PolarHBondContact O-N 3.47Å; M544-K546 PolarHBondContact O-N 3.09Å; M544-Q547 PolarHBondContact O-N 3.27Å; M544-L548 WeakPolarHBondContact O-CB 3.38Å; M544-L548 WeakPolarHBondContact O-CG 3.21Å; M544-L548 PolarHBondContact O-N 2.65Å; M544-L568 HydrophobicContact CB-CD2 4.35Å
545A94.9Very high92.3Very high0 Ų054.2 Ų54.20%028%0.275CS..Hα-helixtrans-61-45.4-179.200000111.3K541 E542 Q547 L548 T549 L570 Y573 W580K541-A545 PolarHBondContact O-N 2.8Å; E542-A545 PolarHBondContact O-N 3.03Å; A545-Q547 PolarHBondContact O-N 2.85Å; A545-L548 PolarHBondContact O-N 3Å; A545-T549 WeakPolarHBondContact O-CB 3.24Å; A545-T549 PolarHBondContact O-N 3.36Å; A545-T549 PolarHBondContact O-OG1 3.02Å; A545-L570 HydrophobicContact CB-CD2 4.06Å; A545-Y573 HydrophobicContact CB-CD1 3.95Å; A545-Y573 HydrophobicContact CB-CD2 3.79Å; A545-Y573 HydrophobicContact CB-CE1 4.03Å; A545-Y573 HydrophobicContact CB-CE2 3.86Å; A545-Y573 HydrophobicContact CB-CG 3.83Å; A545-W580 HydrophobicContact CB-CH2 3.88Å; A545-W580 HydrophobicContact CB-CZ2 3.69Å
546K93.6Very high92.7Very high131 Ų13155.5 Ų55.557%0.5728%0.276SS*.Hα-helixtrans-58.2-47.3177-174.2177.5179.5179.60112.1E542 M544 T549E542-K546 VanDerWaalsContact O-CB 3.26Å; E542-K546 WeakPolarHBondContact O-CB 3.49Å; E542-K546 PolarHBondContact O-N 3.4Å; M544-K546 PolarHBondContact O-N 3.09Å; K546-T549 PolarHBondContact O-N 3.15Å
547Q92.8Very high92.9Very high69 Ų6953.6 Ų53.632%0.32228%0.277SS..Hα-helixtrans-63.5-42.9179.3-73.3-64.4-21.700112.4M508 F511 L543 M544 A545M508-Q547 HydrophobicContact CG-CG 4.07Å; F511-Q547 HydrophobicContact CD2-CB 4.18Å; L543-Q547 WeakPolarHBondContact O-CG 3.28Å; L543-Q547 PolarHBondContact O-N 2.8Å; L543-Q547 VanDerWaalsContact O-N 3.08Å; M544-Q547 PolarHBondContact O-N 3.27Å; A545-Q547 PolarHBondContact O-N 2.85Å
548L95Very high93.1Very high0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-77.9-22.6-177.4-68.5171.6000113.5F511 A515 I524 M544 A545 N550 V551 V552 L555 I564 L568 L570F511-L548 HydrophobicContact CB-CD2 3.98Å; F511-L548 HydrophobicContact CB-CG 4.42Å; F511-L548 WeakPolarHBondContact O-CD2 3.4Å; A515-L548 HydrophobicContact CB-CD2 3.81Å; I524-L548 HydrophobicContact CG2-CD1 4.46Å; M544-L548 WeakPolarHBondContact O-CB 3.38Å; M544-L548 WeakPolarHBondContact O-CG 3.21Å; M544-L548 PolarHBondContact O-N 2.65Å; A545-L548 PolarHBondContact O-N 3Å; L548-N550 PolarHBondContact O-N 2.92Å; L548-V551 CarbonylContact O-C 3.59Å; L548-V551 WeakPolarHBondContact O-CG2 3.32Å; L548-V551 PolarHBondContact O-N 3.22Å; L548-V551 VanDerWaalsContact O-N 3.12Å; L548-V552 PolarHBondContact O-N 3.24Å; L548-L555 HydrophobicContact CB-CD1 3.87Å; L548-L555 HydrophobicContact CD2-CD1 4.05Å; L548-L555 HydrophobicContact CG-CD1 4.48Å; L548-L555 WeakPolarHBondContact O-CD1 3.32Å; L548-I564 HydrophobicContact CD1-CG2 3.96Å; L548-L568 HydrophobicContact CD1-CD2 3.48Å; L548-L568 VanDerWaalsContact CD1-CD2 3.48Å; L548-L570 HydrophobicContact CB-CD1 3.89Å; L548-L570 HydrophobicContact CB-CD2 4.48Å
549T92Very high93.3Very high28 Ų2862.5 Ų62.517%0.17231%0.308CS..Hα-helixtrans-61.9-30.9176.9-630000112.1A545 K546 V551 V552 Y573 Q574A545-T549 WeakPolarHBondContact O-CB 3.24Å; A545-T549 PolarHBondContact O-N 3.36Å; A545-T549 PolarHBondContact O-OG1 3.02Å; K546-T549 PolarHBondContact O-N 3.15Å; T549-V551 PolarHBondContact O-N 3.37Å; T549-V551 VanDerWaalsContact O-N 3.1Å; T549-V552 WeakPolarHBondContact O-CB 3.41Å; T549-V552 PolarHBondContact O-N 3.23Å; T549-Y573 VanDerWaalsContact OG1-CD1 3.27Å; T549-Y573 WeakPolarHBondContact OG1-CD1 3.21Å; T549-Y573 WeakPolarHBondContact OG1-CE1 3.19Å; T549-Q574 HydrophobicContact CG2-CG 3.69Å
550N87.5Confident93.4Very high130 Ų13062.2 Ų62.270%0.69530%0.303SS*.THydrogen-bonded Turntrans-60.6-21.8177-64.6-20.4000113.3L548L548-N550 PolarHBondContact O-N 2.92Å
551V91.2Very high93.4Very high44 Ų4460.5 Ų60.527%0.26730%0.296SS..THydrogen-bonded Turntrans-123.323.1-178.5-66.30000112.1L548 T549 N553 H554 L555L548-V551 CarbonylContact O-C 3.59Å; L548-V551 WeakPolarHBondContact O-CG2 3.32Å; L548-V551 PolarHBondContact O-N 3.22Å; L548-V551 VanDerWaalsContact O-N 3.12Å; T549-V551 PolarHBondContact O-N 3.37Å; T549-V551 VanDerWaalsContact O-N 3.1Å; V551-N553 VanDerWaalsContact C-N 3.34Å; V551-N553 PolarHBondContact O-N 2.95Å; V551-H554 WeakPolarHBondContact O-CB 3.1Å; V551-H554 PolarHBondContact O-N 3.47Å; V551-H554 VanDerWaalsContact O-N 3.14Å; V551-L555 HydrophobicContact CG2-CD1 3.91Å; V551-L555 HydrophobicContact CG2-CG 4.01Å; V551-L555 WeakPolarHBondContact O-CG 3.43Å; V551-L555 PolarHBondContact O-N 3.24Å
552V91.1Very high93.4Very high9 Ų962.7 Ų62.76%0.05531%0.306CS..Hα-helixtrans-57.2-41.9-17073.60000113.7L548 T549 H554 L555 H556 Y565 L570L548-V552 PolarHBondContact O-N 3.24Å; T549-V552 WeakPolarHBondContact O-CB 3.41Å; T549-V552 PolarHBondContact O-N 3.23Å; V552-H554 VanDerWaalsContact C-N 3.31Å; V552-H554 PolarHBondContact O-N 3.07Å; V552-L555 PolarHBondContact O-N 3.41Å; V552-H556 WeakPolarHBondContact O-CB 3.29Å; V552-H556 PolarHBondContact O-N 3.11Å; V552-Y565 HydrophobicContact CG2-CD2 3.67Å; V552-Y565 HydrophobicContact CG2-CE2 3.51Å; V552-L570 HydrophobicContact CG2-CB 4.22Å
553N90.3Very high93.5Very high135 Ų13566.5 Ų66.572%0.72232%0.322SS*.Hα-helixtrans-67-38.2-177.5-68.3-21.3000110.8V551 S557V551-N553 VanDerWaalsContact C-N 3.34Å; V551-N553 PolarHBondContact O-N 2.95Å; N553-S557 PolarHBondContact O-N 3.45Å; N553-S557 PolarHBondContact O-OG 2.83Å
554H93.2Very high93.6Very high106 Ų10663.5 Ų63.549%0.49131%0.306SS..Hα-helixtrans-67.9-45.2173.9-175.661.6000110.6C516 V551 V552 H556 S557 H558C516-H554 VanDerWaalsContact SG-CD2 3.5Å; V551-H554 WeakPolarHBondContact O-CB 3.1Å; V551-H554 PolarHBondContact O-N 3.47Å; V551-H554 VanDerWaalsContact O-N 3.14Å; V552-H554 VanDerWaalsContact C-N 3.31Å; V552-H554 PolarHBondContact O-N 3.07Å; H554-H556 PolarHBondContact O-N 2.9Å; H554-S557 PolarHBondContact O-N 3.12Å; H554-S557 PolarHBondContact O-OG 3.46Å; H554-H558 AromaticContact CE1-CD2 3.79Å; H554-H558 AromaticContact NE2-CD2 3.7Å; H554-H558 WeakPolarHBondContact O-CB 3.28Å; H554-H558 PolarHBondContact O-N 3.28Å
555L93.4Very high93.6Very high0 Ų064.6 Ų64.60%031%0.31CS..Hα-helixtrans-58.6-46.7177.2-69.8172.2000112A515 L548 V551 V552 S557 H558 G561 H562 L570A515-L555 HydrophobicContact CB-CD2 3.58Å; L548-L555 HydrophobicContact CB-CD1 3.87Å; L548-L555 HydrophobicContact CD2-CD1 4.05Å; L548-L555 HydrophobicContact CG-CD1 4.48Å; L548-L555 WeakPolarHBondContact O-CD1 3.32Å; V551-L555 HydrophobicContact CG2-CD1 3.91Å; V551-L555 HydrophobicContact CG2-CG 4.01Å; V551-L555 WeakPolarHBondContact O-CG 3.43Å; V551-L555 PolarHBondContact O-N 3.24Å; V552-L555 PolarHBondContact O-N 3.41Å; L555-S557 VanDerWaalsContact C-N 3.27Å; L555-S557 PolarHBondContact O-N 3.18Å; L555-H558 PolarHBondContact O-N 3.11Å; L555-G561 CarbonylContact O-C 3.59Å; L555-H562 VanDerWaalsContact O-CA 3.3Å; L555-H562 WeakPolarHBondContact O-CA 3.48Å; L555-H562 PolarHBondContact O-N 3.2Å; L555-L570 HydrophobicContact CD1-CD1 3.78Å
556H93.4Very high93.5Very high88 Ų8870.7 Ų70.741%0.40734%0.337SS..Hα-helixtrans-60.1-36.7-176.6-173.861.7000113V552 H554 H562 Y565V552-H556 WeakPolarHBondContact O-CB 3.29Å; V552-H556 PolarHBondContact O-N 3.11Å; H554-H556 PolarHBondContact O-N 2.9Å; H556-H562 AromaticContact CE1-CE1 3.93Å; H556-H562 AromaticContact ND1-ND1 3.72Å; H556-H562 PolarHBondContact O-ND1 3.2Å; H556-Y565 HydrophobicContact CB-CD2 3.99Å; H556-Y565 HydrophobicContact CB-CE2 4.05Å; H556-Y565 HydrophobicContact CB-CG 4.23Å; H556-Y565 AromaticContact CE1-CE1 3.7Å; H556-Y565 AromaticContact ND1-CD1 3.34Å; H556-Y565 VanDerWaalsContact ND1-CD1 3.34Å; H556-Y565 WeakPolarHBondContact ND1-CD1 3.43Å; H556-Y565 AromaticContact ND1-CE1 3.11Å; H556-Y565 WeakPolarHBondContact ND1-CE1 3.43Å; H556-Y565 AromaticContact ND1-CE2 3.99Å; H556-Y565 AromaticContact ND1-CG 3.91Å; H556-Y565 AromaticContact ND1-CZ 3.45Å
557S94.1Very high93.5Very high95 Ų9569.1 Ų69.166%0.66433%0.33SS*.Hα-helixtrans-89.3-16.1179.654.70000113.9N553 H554 L555N553-S557 PolarHBondContact O-N 3.45Å; N553-S557 PolarHBondContact O-OG 2.83Å; H554-S557 PolarHBondContact O-N 3.12Å; H554-S557 PolarHBondContact O-OG 3.46Å; L555-S557 VanDerWaalsContact C-N 3.27Å; L555-S557 PolarHBondContact O-N 3.18Å
558H95.7Very high93.5Very high53 Ų5365.9 Ų65.925%0.24532%0.315CS..SBendtrans-78.9139.4-176.2-163.9-87.9000112.9C516 H554 L555 Y560 G561 H562C516-H558 PolarHBondContact O-CE1 3.38Å; C516-H558 PolarHBondContact O-ND1 3.42Å; H554-H558 AromaticContact CE1-CD2 3.79Å; H554-H558 AromaticContact NE2-CD2 3.7Å; H554-H558 WeakPolarHBondContact O-CB 3.28Å; H554-H558 PolarHBondContact O-N 3.28Å; L555-H558 PolarHBondContact O-N 3.11Å; H558-Y560 VanDerWaalsContact C-N 3.29Å; H558-Y560 AromaticContact CE1-CD2 3.89Å; H558-Y560 PolarHBondContact ND1-N 2.95Å; H558-Y560 PolarHBondContact O-N 3.25Å; H558-Y560 VanDerWaalsContact O-N 3.13Å; H558-G561 PolarHBondContact O-N 3.43Å; H558-H562 VanDerWaalsContact O-CB 3.3Å; H558-H562 WeakPolarHBondContact O-CB 3.46Å; H558-H562 PolarHBondContact O-N 2.94Å
559R95.8Very high93.5Very high192 Ų19268.3 Ų68.373%0.72533%0.332SS*.THydrogen-bonded Turntrans-48.6-44.6-178.6-178.4178.5179.6177.60.4114.1F563R559-F563 VanDerWaalsContact O-CE2 3.29Å; R559-F563 WeakPolarHBondContact O-CE2 3.44Å
560Y94.9Very high93.6Very high65 Ų6567 Ų6726%0.25532%0.324SS..THydrogen-bonded Turntrans-96.9-35.4178.2-54.4-68000112.8P518 H558 H562 F563P518-Y560 HydrophobicContact CB-CD1 4.45Å; P518-Y560 HydrophobicContact CB-CD2 4.33Å; P518-Y560 HydrophobicContact CB-CE1 3.92Å; P518-Y560 HydrophobicContact CB-CE2 3.81Å; P518-Y560 HydrophobicContact CG-CE2 4.04Å; H558-Y560 VanDerWaalsContact C-N 3.29Å; H558-Y560 AromaticContact CE1-CD2 3.89Å; H558-Y560 PolarHBondContact ND1-N 2.95Å; H558-Y560 PolarHBondContact O-N 3.25Å; H558-Y560 VanDerWaalsContact O-N 3.13Å; Y560-H562 PolarHBondContact O-N 3.48Å; Y560-F563 PolarHBondContact O-N 3.07Å
561G95.2Very high93.8Very high0 Ų065.7 Ų65.70%031%0.314CS..Hα-helixtrans-63.1-30.2-176.600000112.2A515 L555 H558 F563 I564 Y565A515-G561 WeakPolarHBondContact O-CA 3.32Å; A515-G561 PolarHBondContact O-N 2.95Å; L555-G561 CarbonylContact O-C 3.59Å; H558-G561 PolarHBondContact O-N 3.43Å; G561-F563 VanDerWaalsContact C-N 3.26Å; G561-F563 PolarHBondContact O-N 3.4Å; G561-I564 WeakPolarHBondContact O-CB 3.42Å; G561-I564 PolarHBondContact O-N 3.46Å; G561-Y565 WeakPolarHBondContact O-CB 3.34Å; G561-Y565 PolarHBondContact O-N 3.15Å
562H95.1Very high93.9Very high47 Ų4765.7 Ų65.722%0.21831%0.312CS..Hα-helixtrans-61.6-34.8-179.4-179.882.5000112.4L555 H556 H558 Y560 K566L555-H562 VanDerWaalsContact O-CA 3.3Å; L555-H562 WeakPolarHBondContact O-CA 3.48Å; L555-H562 PolarHBondContact O-N 3.2Å; H556-H562 AromaticContact CE1-CE1 3.93Å; H556-H562 AromaticContact ND1-ND1 3.72Å; H556-H562 PolarHBondContact O-ND1 3.2Å; H558-H562 VanDerWaalsContact O-CB 3.3Å; H558-H562 WeakPolarHBondContact O-CB 3.46Å; H558-H562 PolarHBondContact O-N 2.94Å; Y560-H562 PolarHBondContact O-N 3.48Å; H562-K566 VanDerWaalsContact CE1-CE 3.48Å; H562-K566 WeakPolarHBondContact CE1-CE 3.33Å; H562-K566 WeakPolarHBondContact NE2-CD 3.47Å; H562-K566 WeakPolarHBondContact NE2-CE 3.48Å; H562-K566 PolarHBondContact NE2-NZ 3.1Å; H562-K566 WeakPolarHBondContact O-CG 3.3Å; H562-K566 PolarHBondContact O-N 2.84Å
563F95.3Very high94.1Very high138 Ų13866.2 Ų66.261%0.60531%0.313SS*.Hα-helixtrans-67-41.2175-62.3-69.3000111.4R559 Y560 G561 K566 K567R559-F563 VanDerWaalsContact O-CE2 3.29Å; R559-F563 WeakPolarHBondContact O-CE2 3.44Å; Y560-F563 PolarHBondContact O-N 3.07Å; G561-F563 VanDerWaalsContact C-N 3.26Å; G561-F563 PolarHBondContact O-N 3.4Å; F563-K566 PolarHBondContact O-N 3.23Å; F563-K567 WeakPolarHBondContact O-CB 3.46Å; F563-K567 PolarHBondContact O-N 2.95Å
564I96Very high94.1Very high4 Ų464.2 Ų64.22%0.02130%0.3CS..Hα-helixtrans-67.1-44.9176.4-56.2-54.3000110.9A515 S521 I524 L548 G561 K566 K567 L568A515-I564 HydrophobicContact CB-CB 4.31Å; A515-I564 HydrophobicContact CB-CG1 4.14Å; A515-I564 HydrophobicContact CB-CG2 4.08Å; S521-I564 WeakPolarHBondContact O-CD1 3.34Å; I524-I564 HydrophobicContact CB-CD1 4.3Å; I524-I564 HydrophobicContact CG2-CD1 4.11Å; I524-I564 HydrophobicContact CG2-CG1 4.45Å; I524-I564 HydrophobicContact CG2-CG2 3.81Å; L548-I564 HydrophobicContact CD1-CG2 3.96Å; G561-I564 WeakPolarHBondContact O-CB 3.42Å; G561-I564 PolarHBondContact O-N 3.46Å; I564-K566 VanDerWaalsContact C-N 3.3Å; I564-K566 PolarHBondContact O-N 3.02Å; I564-K567 PolarHBondContact O-N 3.36Å; I564-L568 HydrophobicContact CG2-CD1 4.11Å; I564-L568 HydrophobicContact CG2-CD2 4.25Å; I564-L568 PolarHBondContact O-N 3.27Å
565Y94.8Very high94.1Very high22 Ų2265.1 Ų65.19%0.08631%0.308CS..Hα-helixtrans-51-49.7174.4170.3-87.6000111.4V552 H556 G561 S569 L570 E571V552-Y565 HydrophobicContact CG2-CD2 3.67Å; V552-Y565 HydrophobicContact CG2-CE2 3.51Å; H556-Y565 HydrophobicContact CB-CD2 3.99Å; H556-Y565 HydrophobicContact CB-CE2 4.05Å; H556-Y565 HydrophobicContact CB-CG 4.23Å; H556-Y565 AromaticContact CE1-CE1 3.7Å; H556-Y565 AromaticContact ND1-CD1 3.34Å; H556-Y565 VanDerWaalsContact ND1-CD1 3.34Å; H556-Y565 WeakPolarHBondContact ND1-CD1 3.43Å; H556-Y565 AromaticContact ND1-CE1 3.11Å; H556-Y565 WeakPolarHBondContact ND1-CE1 3.43Å; H556-Y565 AromaticContact ND1-CE2 3.99Å; H556-Y565 AromaticContact ND1-CG 3.91Å; H556-Y565 AromaticContact ND1-CZ 3.45Å; G561-Y565 WeakPolarHBondContact O-CB 3.34Å; G561-Y565 PolarHBondContact O-N 3.15Å; Y565-S569 PolarHBondContact O-N 2.89Å; Y565-L570 HydrophobicContact CD2-CB 3.98Å; Y565-L570 HydrophobicContact CD2-CD1 4.41Å; Y565-L570 HydrophobicContact CE2-CB 4.28Å; Y565-L570 PolarHBondContact O-N 3.4Å; Y565-L570 VanDerWaalsContact O-N 3.1Å; Y565-E571 HydrophobicContact CE1-CB 4.42Å; Y565-E571 WeakPolarHBondContact OH-CB 3.44Å; Y565-E571 WeakPolarHBondContact OH-CG 3.18Å; Y565-E571 PolarHBondContact OH-OE2 2.93Å
566K94.2Very high94.1Very high128 Ų12868.1 Ų68.156%0.55732%0.324SS*.Hα-helixtrans-67-48.9177.1-77.6-177.9164.1166.40112.2H562 F563 I564 L568 S569H562-K566 VanDerWaalsContact CE1-CE 3.48Å; H562-K566 WeakPolarHBondContact CE1-CE 3.33Å; H562-K566 WeakPolarHBondContact NE2-CD 3.47Å; H562-K566 WeakPolarHBondContact NE2-CE 3.48Å; H562-K566 PolarHBondContact NE2-NZ 3.1Å; H562-K566 WeakPolarHBondContact O-CG 3.3Å; H562-K566 PolarHBondContact O-N 2.84Å; F563-K566 PolarHBondContact O-N 3.23Å; I564-K566 VanDerWaalsContact C-N 3.3Å; I564-K566 PolarHBondContact O-N 3.02Å; K566-L568 VanDerWaalsContact C-N 3.33Å; K566-L568 PolarHBondContact O-N 2.96Å; K566-S569 PolarHBondContact O-N 3.29Å
567K92.8Very high94.1Very high98 Ų9868.1 Ų68.143%0.42632%0.323SS..Hα-helixtrans-59.3-42.4-175.5-173.574.8175.9-138.60112.5E525 F563 I564 S569E525-K567 IonicContact OE1-NZ 3.97Å; E525-K567 PolarHBondContact OE1-NZ 3.08Å; F563-K567 WeakPolarHBondContact O-CB 3.46Å; F563-K567 PolarHBondContact O-N 2.95Å; I564-K567 PolarHBondContact O-N 3.36Å; K567-S569 VanDerWaalsContact C-N 3.28Å
568L93.6Very high94Very high1 Ų168.5 Ų68.51%0.00532%0.321CS..THydrogen-bonded Turntrans-85.2-4.7179.1-83.660.9000112.3W528 M544 L548 I564 K566 L570 W580W528-L568 HydrophobicContact CB-CD1 4.13Å; W528-L568 HydrophobicContact CD2-CD1 3.71Å; W528-L568 HydrophobicContact CD2-CG 3.72Å; W528-L568 HydrophobicContact CE3-CD1 4.05Å; W528-L568 HydrophobicContact CE3-CD2 4.02Å; W528-L568 HydrophobicContact CE3-CG 3.58Å; W528-L568 HydrophobicContact CG-CD1 3.74Å; W528-L568 HydrophobicContact CG-CG 4.28Å; W528-L568 HydrophobicContact CH2-CG 4.21Å; W528-L568 HydrophobicContact CZ2-CG 4.33Å; W528-L568 HydrophobicContact CZ3-CD2 4.29Å; W528-L568 HydrophobicContact CZ3-CG 3.82Å; M544-L568 HydrophobicContact CB-CD2 4.35Å; L548-L568 HydrophobicContact CD1-CD2 3.48Å; L548-L568 VanDerWaalsContact CD1-CD2 3.48Å; I564-L568 HydrophobicContact CG2-CD1 4.11Å; I564-L568 HydrophobicContact CG2-CD2 4.25Å; I564-L568 PolarHBondContact O-N 3.27Å; K566-L568 VanDerWaalsContact C-N 3.33Å; K566-L568 PolarHBondContact O-N 2.96Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 HydrophobicContact CB-CD2 3.73Å; L568-L570 HydrophobicContact CB-CG 3.99Å; L568-L570 HydrophobicContact CD2-CD2 4.32Å; L568-L570 PolarHBondContact O-N 2.73Å; L568-W580 PolarHBondContact O-NE1 2.92Å
569S93.5Very high93.9Very high52 Ų5273.5 Ų73.536%0.36434%0.338SS..THydrogen-bonded Turntrans51.648.7-176.3-56.80000111.7Y565 K566 K567 E571 L572 Y573 W580Y565-S569 PolarHBondContact O-N 2.89Å; K566-S569 PolarHBondContact O-N 3.29Å; K567-S569 VanDerWaalsContact C-N 3.28Å; S569-E571 PolarHBondContact O-N 3.05Å; S569-L572 WeakPolarHBondContact O-CB 3.39Å; S569-L572 PolarHBondContact O-N 3Å; S569-Y573 PolarHBondContact O-N 3.36Å; S569-W580 VanDerWaalsContact O-CD1 3.32Å
570L93.8Very high93.8Very high0 Ų064.3 Ų64.30%030%0.303CS..Hα-helixtrans-62.5-30.2-174.7-63.6-176.2000112.4A545 L548 V552 L555 Y565 L568 L572 Y573 Q574A545-L570 HydrophobicContact CB-CD2 4.06Å; L548-L570 HydrophobicContact CB-CD1 3.89Å; L548-L570 HydrophobicContact CB-CD2 4.48Å; V552-L570 HydrophobicContact CG2-CB 4.22Å; L555-L570 HydrophobicContact CD1-CD1 3.78Å; Y565-L570 HydrophobicContact CD2-CB 3.98Å; Y565-L570 HydrophobicContact CD2-CD1 4.41Å; Y565-L570 HydrophobicContact CE2-CB 4.28Å; Y565-L570 PolarHBondContact O-N 3.4Å; Y565-L570 VanDerWaalsContact O-N 3.1Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 HydrophobicContact CB-CD2 3.73Å; L568-L570 HydrophobicContact CB-CG 3.99Å; L568-L570 HydrophobicContact CD2-CD2 4.32Å; L568-L570 PolarHBondContact O-N 2.73Å; L570-L572 PolarHBondContact O-N 3.42Å; L570-Y573 WeakPolarHBondContact O-CB 3.27Å; L570-Y573 PolarHBondContact O-N 3.44Å; L570-Q574 WeakPolarHBondContact O-CG 3.34Å; L570-Q574 PolarHBondContact O-N 3.28Å
571E92.3Very high93.7Very high102 Ų10263 Ų6348%0.47730%0.301SS..Hα-helixtrans-57.2-48.5171.7-160.9171.5153.400112.2Y565 S569 Y573 Q574 N575Y565-E571 HydrophobicContact CE1-CB 4.42Å; Y565-E571 WeakPolarHBondContact OH-CB 3.44Å; Y565-E571 WeakPolarHBondContact OH-CG 3.18Å; Y565-E571 PolarHBondContact OH-OE2 2.93Å; S569-E571 PolarHBondContact O-N 3.05Å; E571-Y573 VanDerWaalsContact C-N 3.31Å; E571-Y573 PolarHBondContact O-N 3.06Å; E571-Q574 PolarHBondContact O-N 2.91Å; E571-N575 WeakPolarHBondContact O-CB 3.18Å; E571-N575 PolarHBondContact O-N 2.89Å; E571-N575 PolarHBondContact O-ND2 3.4Å
572L93.5Very high93.5Very high44 Ų4467.1 Ų67.123%0.2333%0.326CS..Hα-helixtrans-67.5-36.3178.5-176.166.7000110.5S569 L570 Q574 D576 R579 W580 V583S569-L572 WeakPolarHBondContact O-CB 3.39Å; S569-L572 PolarHBondContact O-N 3Å; L570-L572 PolarHBondContact O-N 3.42Å; L572-Q574 VanDerWaalsContact C-N 3.31Å; L572-Q574 PolarHBondContact O-N 3.48Å; L572-D576 HydrophobicContact CD1-CB 4.14Å; L572-D576 CarbonylContact O-C 3.56Å; L572-D576 WeakPolarHBondContact O-CA 3.46Å; L572-D576 PolarHBondContact O-N 2.82Å; L572-R579 HydrophobicContact CD1-CB 4.27Å; L572-R579 HydrophobicContact CD1-CG 4.13Å; L572-R579 HydrophobicContact CD2-CG 4.38Å; L572-W580 HydrophobicContact CD2-CB 4.22Å; L572-W580 HydrophobicContact CG-CB 4Å; L572-V583 HydrophobicContact CD2-CG2 4.44Å
573Y94.4Very high93.1Very high21 Ų2168 Ų688%0.08234%0.335CS..Hα-helixtrans-61.7-38.6175.1-178-101.5000112.6E542 A545 T549 S569 L570 E571 K577 W580E542-Y573 HydrophobicContact CG-CE2 4.2Å; A545-Y573 HydrophobicContact CB-CD1 3.95Å; A545-Y573 HydrophobicContact CB-CD2 3.79Å; A545-Y573 HydrophobicContact CB-CE1 4.03Å; A545-Y573 HydrophobicContact CB-CE2 3.86Å; A545-Y573 HydrophobicContact CB-CG 3.83Å; T549-Y573 VanDerWaalsContact OG1-CD1 3.27Å; T549-Y573 WeakPolarHBondContact OG1-CD1 3.21Å; T549-Y573 WeakPolarHBondContact OG1-CE1 3.19Å; S569-Y573 PolarHBondContact O-N 3.36Å; L570-Y573 WeakPolarHBondContact O-CB 3.27Å; L570-Y573 PolarHBondContact O-N 3.44Å; E571-Y573 VanDerWaalsContact C-N 3.31Å; E571-Y573 PolarHBondContact O-N 3.06Å; Y573-K577 HydrophobicContact CD2-CG 4.27Å; Y573-K577 HydrophobicContact CE2-CD 4.28Å; Y573-K577 HydrophobicContact CE2-CG 4.01Å; Y573-W580 AromaticContact CD2-CD2 3.59Å; Y573-W580 HydrophobicContact CD2-CD2 3.59Å; Y573-W580 AromaticContact CD2-CE2 3.9Å; Y573-W580 AromaticContact CD2-CE3 3.62Å; Y573-W580 HydrophobicContact CD2-CE3 3.62Å; Y573-W580 HydrophobicContact CD2-CG 4.03Å; Y573-W580 HydrophobicContact CD2-CH2 4.24Å; Y573-W580 HydrophobicContact CD2-CZ2 4.21Å; Y573-W580 AromaticContact CD2-CZ3 3.97Å; Y573-W580 HydrophobicContact CD2-CZ3 3.97Å; Y573-W580 HydrophobicContact CE2-CE3 4.14Å; Y573-W580 HydrophobicContact CE2-CH2 4.5Å; Y573-W580 HydrophobicContact CE2-CZ3 4.14Å; Y573-W580 HydrophobicContact CG-CD2 4.35Å; Y573-W580 HydrophobicContact CG-CG 4.48Å
574Q92.2Very high92.8Very high93 Ų9362.1 Ų62.144%0.43531%0.309SS..Hα-helixtrans-73.7-46.1177.1-71.6-168.9-57.600112.9T549 L570 E571 L572T549-Q574 HydrophobicContact CG2-CG 3.69Å; L570-Q574 WeakPolarHBondContact O-CG 3.34Å; L570-Q574 PolarHBondContact O-N 3.28Å; E571-Q574 PolarHBondContact O-N 2.91Å; L572-Q574 VanDerWaalsContact C-N 3.31Å; L572-Q574 PolarHBondContact O-N 3.48Å
575N92.9Very high92.2Very high124 Ų12468 Ų6866%0.66334%0.335SS*.Hα-helixtrans-82.3-36.5-172-66.1-18.7000112.7E571E571-N575 WeakPolarHBondContact O-CB 3.18Å; E571-N575 PolarHBondContact O-N 2.89Å; E571-N575 PolarHBondContact O-ND2 3.4Å
576D92.5Very high90.8Very high63 Ų6370.1 Ų70.134%0.33735%0.352SS..  trans-15076.7-176.4-172.8-11.6000110.5L572 T578 R579 W580L572-D576 HydrophobicContact CD1-CB 4.14Å; L572-D576 CarbonylContact O-C 3.56Å; L572-D576 WeakPolarHBondContact O-CA 3.46Å; L572-D576 PolarHBondContact O-N 2.82Å; D576-T578 PolarHBondContact O-N 3.22Å; D576-T578 PolarHBondContact OD1-N 2.76Å; D576-R579 HydrophobicContact CB-CB 4.06Å; D576-R579 PolarHBondContact O-N 3.37Å; D576-R579 WeakPolarHBondContact OD1-CB 3.19Å; D576-R579 PolarHBondContact OD1-N 2.78Å; D576-R579 WeakPolarHBondContact OD2-CB 3.35Å; D576-W580 PolarHBondContact O-N 3.13Å
577K93.3Very high89.2Confident88 Ų8866.1 Ų66.138%0.38334%0.339SS..Hα-helixtrans-54.4-36.6177.8-172-180179.7-173.90112.1E542 Y573 W580 L581E542-K577 WeakPolarHBondContact OE1-CE 3.47Å; E542-K577 IonicContact OE1-NZ 3.59Å; E542-K577 PolarHBondContact OE1-NZ 2.63Å; Y573-K577 HydrophobicContact CD2-CG 4.27Å; Y573-K577 HydrophobicContact CE2-CD 4.28Å; Y573-K577 HydrophobicContact CE2-CG 4.01Å; K577-W580 PolarHBondContact O-N 3.34Å; K577-L581 HydrophobicContact CG-CD1 4.3Å; K577-L581 HydrophobicContact CG-CG 4.45Å; K577-L581 WeakPolarHBondContact O-CB 3.33Å; K577-L581 VanDerWaalsContact O-CG 3.25Å; K577-L581 WeakPolarHBondContact O-CG 3.48Å; K577-L581 PolarHBondContact O-N 2.66Å
578T92.6Very high87.3Confident104 Ų10463.3 Ų63.364%0.63833%0.327SS*.Hα-helixtrans-64.1-46.2-179.7-57.40000111.3D576 L581 T582D576-T578 PolarHBondContact O-N 3.22Å; D576-T578 PolarHBondContact OD1-N 2.76Å; T578-L581 PolarHBondContact O-N 3.19Å; T578-T582 PolarHBondContact O-N 3.15Å; T578-T582 PolarHBondContact O-OG1 3.25Å
579R92.2Very high85.2Confident157 Ų15766.2 Ų66.259%0.59235%0.351SS*.Hα-helixtrans-67.4-40.3174.9-175.1172177.6-172.72.7111.9L572 D576 L581 T582 V583L572-R579 HydrophobicContact CD1-CB 4.27Å; L572-R579 HydrophobicContact CD1-CG 4.13Å; L572-R579 HydrophobicContact CD2-CG 4.38Å; D576-R579 HydrophobicContact CB-CB 4.06Å; D576-R579 PolarHBondContact O-N 3.37Å; D576-R579 WeakPolarHBondContact OD1-CB 3.19Å; D576-R579 PolarHBondContact OD1-N 2.78Å; D576-R579 WeakPolarHBondContact OD2-CB 3.35Å; R579-L581 VanDerWaalsContact C-N 3.32Å; R579-L581 PolarHBondContact O-N 3.09Å; R579-T582 WeakPolarHBondContact O-CB 3.44Å; R579-T582 PolarHBondContact O-N 3Å; R579-T582 VanDerWaalsContact O-N 3.16Å; R579-V583 WeakPolarHBondContact O-CG2 3.43Å; R579-V583 PolarHBondContact O-N 2.99Å
580W94.9Very high83.3Confident0 Ų068.3 Ų68.30%036%0.357CS..Hα-helixtrans-58.1-43.9174.4-174.593.8000112.4W528 I538 K541 E542 A545 L568 S569 L572 Y573 D576 K577 T582 V583 N584W528-W580 HydrophobicContact CH2-CH2 4.17Å; W528-W580 AromaticContact CH2-CZ2 3.6Å; W528-W580 HydrophobicContact CH2-CZ2 3.6Å; W528-W580 HydrophobicContact CZ3-CH2 4.47Å; W528-W580 HydrophobicContact CZ3-CZ2 4.11Å; I538-W580 HydrophobicContact CD1-CZ3 4.21Å; K541-W580 HydrophobicContact CB-CH2 3.81Å; E542-W580 HydrophobicContact CB-CZ3 4.34Å; A545-W580 HydrophobicContact CB-CH2 3.88Å; A545-W580 HydrophobicContact CB-CZ2 3.69Å; L568-W580 PolarHBondContact O-NE1 2.92Å; S569-W580 VanDerWaalsContact O-CD1 3.32Å; L572-W580 HydrophobicContact CD2-CB 4.22Å; L572-W580 HydrophobicContact CG-CB 4Å; Y573-W580 AromaticContact CD2-CD2 3.59Å; Y573-W580 HydrophobicContact CD2-CD2 3.59Å; Y573-W580 AromaticContact CD2-CE2 3.9Å; Y573-W580 AromaticContact CD2-CE3 3.62Å; Y573-W580 HydrophobicContact CD2-CE3 3.62Å; Y573-W580 HydrophobicContact CD2-CG 4.03Å; Y573-W580 HydrophobicContact CD2-CH2 4.24Å; Y573-W580 HydrophobicContact CD2-CZ2 4.21Å; Y573-W580 AromaticContact CD2-CZ3 3.97Å; Y573-W580 HydrophobicContact CD2-CZ3 3.97Å; Y573-W580 HydrophobicContact CE2-CE3 4.14Å; Y573-W580 HydrophobicContact CE2-CH2 4.5Å; Y573-W580 HydrophobicContact CE2-CZ3 4.14Å; Y573-W580 HydrophobicContact CG-CD2 4.35Å; Y573-W580 HydrophobicContact CG-CG 4.48Å; D576-W580 PolarHBondContact O-N 3.13Å; K577-W580 PolarHBondContact O-N 3.34Å; W580-T582 VanDerWaalsContact C-N 3.33Å; W580-T582 PolarHBondContact O-N 3.17Å; W580-V583 PolarHBondContact O-N 3.38Å; W580-N584 PolarHBondContact NE1-ND2 2.86Å; W580-N584 WeakPolarHBondContact O-CB 3.49Å; W580-N584 PolarHBondContact O-N 2.97Å; W580-N584 PolarHBondContact O-ND2 3.28Å
581L92.6Very high81.2Confident37 Ų3770.7 Ų70.719%0.19437%0.37CS..Hα-helixtrans-62.4-41.6175.6-74170.5000111.2I538 K577 T578 R579 N584 K585I538-L581 HydrophobicContact CD1-CD2 3.72Å; I538-L581 HydrophobicContact CG1-CD2 3.65Å; K577-L581 HydrophobicContact CG-CD1 4.3Å; K577-L581 HydrophobicContact CG-CG 4.45Å; K577-L581 WeakPolarHBondContact O-CB 3.33Å; K577-L581 VanDerWaalsContact O-CG 3.25Å; K577-L581 WeakPolarHBondContact O-CG 3.48Å; K577-L581 PolarHBondContact O-N 2.66Å; T578-L581 PolarHBondContact O-N 3.19Å; R579-L581 VanDerWaalsContact C-N 3.32Å; R579-L581 PolarHBondContact O-N 3.09Å; L581-N584 PolarHBondContact O-N 3.04Å; L581-K585 WeakPolarHBondContact O-CB 3.14Å; L581-K585 WeakPolarHBondContact O-CG 3.4Å; L581-K585 PolarHBondContact O-N 3.13Å
582T90Very high79.1Confident87 Ų8770.9 Ų70.953%0.53437%0.374SS..Hα-helixtrans-62.7-46.7178.7-58.10000111.7T578 R579 W580 N584 K585 S586T578-T582 PolarHBondContact O-N 3.15Å; T578-T582 PolarHBondContact O-OG1 3.25Å; R579-T582 WeakPolarHBondContact O-CB 3.44Å; R579-T582 PolarHBondContact O-N 3Å; R579-T582 VanDerWaalsContact O-N 3.16Å; W580-T582 VanDerWaalsContact C-N 3.33Å; W580-T582 PolarHBondContact O-N 3.17Å; T582-N584 PolarHBondContact O-N 3.12Å; T582-K585 PolarHBondContact O-N 2.94Å; T582-S586 PolarHBondContact O-N 2.66Å; T582-S586 PolarHBondContact O-OG 3.32Å
583V88.6Confident76.7Confident66 Ų6676.2 Ų76.240%0.440%0.396SS..Hα-helixtrans-62.9-42.5177.6172.70000111.2L572 R579 W580 S586 T587L572-V583 HydrophobicContact CD2-CG2 4.44Å; R579-V583 WeakPolarHBondContact O-CG2 3.43Å; R579-V583 PolarHBondContact O-N 2.99Å; W580-V583 PolarHBondContact O-N 3.38Å; V583-S586 PolarHBondContact O-N 3.27Å; V583-S586 PolarHBondContact O-OG 3.07Å; V583-T587 PolarHBondContact O-N 3.41Å; V583-T587 PolarHBondContact O-OG1 2.98Å; V583-T587 VanDerWaalsContact O-OG1 3.09Å
584N88.9Confident74.2Confident14 Ų1483.1 Ų83.18%0.07542%0.422CS..Hα-helixtrans-81-19.2-176.1-81.1-70.5000114.7W528 I538 K541 W580 L581 T582W528-N584 VanDerWaalsContact CZ2-OD1 3.31Å; W528-N584 WeakPolarHBondContact CZ2-OD1 3.41Å; I538-N584 HydrophobicContact CD1-CB 3.83Å; K541-N584 HydrophobicContact CD-CB 3.94Å; K541-N584 PolarHBondContact NZ-O 3.21Å; K541-N584 PolarHBondContact NZ-OD1 3.39Å; W580-N584 PolarHBondContact NE1-ND2 2.86Å; W580-N584 WeakPolarHBondContact O-CB 3.49Å; W580-N584 PolarHBondContact O-N 2.97Å; W580-N584 PolarHBondContact O-ND2 3.28Å; L581-N584 PolarHBondContact O-N 3.04Å; T582-N584 PolarHBondContact O-N 3.12Å
585K83.4Confident71.9Confident128 Ų12883.8 Ų83.856%0.55743%0.425SS*.Hα-helixtrans-72.4-41.6168-77.2174.6-178.6-178.30111.5I538 L581 T582 T587 H588I538-K585 HydrophobicContact CB-CG 4.45Å; I538-K585 HydrophobicContact CD1-CG 4.16Å; I538-K585 HydrophobicContact CG1-CG 4.12Å; L581-K585 WeakPolarHBondContact O-CB 3.14Å; L581-K585 WeakPolarHBondContact O-CG 3.4Å; L581-K585 PolarHBondContact O-N 3.13Å; T582-K585 PolarHBondContact O-N 2.94Å; K585-T587 VanDerWaalsContact C-N 3.33Å; K585-T587 PolarHBondContact O-N 3.27Å; K585-H588 PolarHBondContact O-N 3.44Å
586S63.5Low69.7Low65 Ų6581 Ų8146%0.45542%0.418SS..Hα-helixtrans-70.8-25.6-176.3640000113.7T582 V583 H588 A589T582-S586 PolarHBondContact O-N 2.66Å; T582-S586 PolarHBondContact O-OG 3.32Å; V583-S586 PolarHBondContact O-N 3.27Å; V583-S586 PolarHBondContact O-OG 3.07Å; S586-H588 PolarHBondContact O-N 3.38Å; S586-H588 VanDerWaalsContact O-N 3.09Å; S586-A589 PolarHBondContact O-N 3.11Å
587T61.2Low67.6Low45 Ų4582.4 Ų82.428%0.27643%0.425SS..Hα-helixtrans-54.8-28.5173.8-43.70000113V583 K585 N591V583-T587 PolarHBondContact O-N 3.41Å; V583-T587 PolarHBondContact O-OG1 2.98Å; V583-T587 VanDerWaalsContact O-OG1 3.09Å; K585-T587 VanDerWaalsContact C-N 3.33Å; K585-T587 PolarHBondContact O-N 3.27Å; T587-N591 PolarHBondContact O-N 2.95Å
588H54.2Low65.2Low39 Ų3982.6 Ų82.618%0.18143%0.43CS..Hα-helixtrans-65.5-38.3174.8-99.7-83.6000114.2N532 P537 K585 S586 I590 N592N532-H588 VanDerWaalsContact C-CE1 3.41Å; N532-H588 VanDerWaalsContact CA-NE2 3.28Å; N532-H588 WeakPolarHBondContact CA-NE2 3.44Å; N532-H588 PolarHBondContact O-CE1 3.39Å; N532-H588 PolarHBondContact O-NE2 3.03Å; P537-H588 WeakPolarHBondContact CB-NE2 3.38Å; P537-H588 VanDerWaalsContact CG-CD2 3.44Å; P537-H588 WeakPolarHBondContact CG-CD2 3.3Å; P537-H588 WeakPolarHBondContact CG-CE1 3.22Å; P537-H588 WeakPolarHBondContact CG-NE2 3.37Å; K585-H588 PolarHBondContact O-N 3.44Å; S586-H588 PolarHBondContact O-N 3.38Å; S586-H588 VanDerWaalsContact O-N 3.09Å; H588-I590 VanDerWaalsContact C-N 3.29Å; H588-I590 PolarHBondContact O-N 3.48Å; H588-N592 PolarHBondContact O-N 3.17Å
589A49.5Very low62.9Low61 Ų6182.8 Ų82.850%0.50443%0.427SS..Hα-helixtrans-69.9-30-176.400000111.9S586 K593S586-A589 PolarHBondContact O-N 3.11Å; A589-K593 PolarHBondContact O-N 3Å
590I52.2Low60.6Low96 Ų9679 Ų7949%0.49243%0.425SS..Hα-helixtrans-78.2-41.3-178-60.8174.4000111.2H588 K593 R594H588-I590 VanDerWaalsContact C-N 3.29Å; H588-I590 PolarHBondContact O-N 3.48Å; I590-K593 PolarHBondContact O-N 2.89Å; I590-R594 PolarHBondContact O-N 3.33Å
591N49.1Very low58.2Low50 Ų5085.4 Ų85.427%0.26746%0.455SS..Hα-helixtrans-72.8-35.6-179.3-73.5-11.5000112.7T587 K593 R594 H595T587-N591 PolarHBondContact O-N 2.95Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 2.82Å; N591-R594 PolarHBondContact O-N 3.32Å; N591-H595 PolarHBondContact O-CD2 3.47Å; N591-H595 PolarHBondContact O-N 3.15Å
592N48.9Very low55.8Low106 Ų10690.3 Ų90.357%0.56748%0.481SS*.Hα-helixtrans-65.3-35.1174.6-76.3-5.8000112.5H588 A596H588-N592 PolarHBondContact O-N 3.17Å; N592-A596 WeakPolarHBondContact O-CB 3.47Å; N592-A596 PolarHBondContact O-N 3.04Å
593K42.5Very low53.7Low156 Ų15692 Ų9268%0.67849%0.491SS*.Hα-helixtrans-66.6-36.4173.2-79.5-175.3177.8-177.40112.4A589 I590 N591 I597A589-K593 PolarHBondContact O-N 3Å; I590-K593 PolarHBondContact O-N 2.89Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 2.82Å; K593-I597 VanDerWaalsContact O-CD1 3.32Å; K593-I597 WeakPolarHBondContact O-CD1 3.37Å; K593-I597 VanDerWaalsContact O-CG1 3.25Å; K593-I597 WeakPolarHBondContact O-CG1 3.45Å; K593-I597 PolarHBondContact O-N 3.22Å
594R42.3Very low51.2Low167 Ų16797.5 Ų97.563%0.6351%0.51SS*.Hα-helixtrans-70.8-44.9177.2-74.4-179174.4170.6-2.2112.4I590 N591 A596 I597 D598I590-R594 PolarHBondContact O-N 3.33Å; N591-R594 PolarHBondContact O-N 3.32Å; R594-A596 VanDerWaalsContact C-N 3.34Å; R594-A596 PolarHBondContact O-N 2.92Å; R594-I597 PolarHBondContact O-N 3.09Å; R594-I597 VanDerWaalsContact O-N 3.15Å; R594-D598 PolarHBondContact O-N 2.87Å
595H45Very low48.4Very low107 Ų107107.8 Ų107.850%0.49555%0.547SS..Hα-helixtrans-65-33.1177.6-80.5-61.6000113.8N591 I597 N599N591-H595 PolarHBondContact O-CD2 3.47Å; N591-H595 PolarHBondContact O-N 3.15Å; H595-I597 VanDerWaalsContact C-N 3.31Å; H595-I597 PolarHBondContact O-N 2.81Å; H595-N599 WeakPolarHBondContact O-CB 3.3Å; H595-N599 PolarHBondContact O-N 3.06Å
596A45.5Very low46.1Very low64 Ų64107.7 Ų107.753%0.52956%0.56SS.*Hα-helixtrans-66.7-32.217400000112.8N592 R594 S600N592-A596 WeakPolarHBondContact O-CB 3.47Å; N592-A596 PolarHBondContact O-N 3.04Å; R594-A596 VanDerWaalsContact C-N 3.34Å; R594-A596 PolarHBondContact O-N 2.92Å; A596-S600 WeakPolarHBondContact O-CB 3.48Å; A596-S600 PolarHBondContact O-N 3.1Å; A596-S600 PolarHBondContact O-OG 3.41Å
597I48.2Very low44.9Very low93 Ų93116.5 Ų116.548%0.47758%0.583SS.*Hα-helixtrans-75.3-41.4177.4-65.3166000110.6K593 R594 H595 S600 Q601K593-I597 VanDerWaalsContact O-CD1 3.32Å; K593-I597 WeakPolarHBondContact O-CD1 3.37Å; K593-I597 VanDerWaalsContact O-CG1 3.25Å; K593-I597 WeakPolarHBondContact O-CG1 3.45Å; K593-I597 PolarHBondContact O-N 3.22Å; R594-I597 PolarHBondContact O-N 3.09Å; R594-I597 VanDerWaalsContact O-N 3.15Å; H595-I597 VanDerWaalsContact C-N 3.31Å; H595-I597 PolarHBondContact O-N 2.81Å; I597-S600 PolarHBondContact O-N 3.19Å; I597-S600 PolarHBondContact O-OG 2.9Å; I597-Q601 WeakPolarHBondContact O-CG 3.39Å; I597-Q601 PolarHBondContact O-N 3.35Å
598D44.9Very low43.8Very low92 Ų92124 Ų12449%0.49261%0.612SS.*Hα-helixtrans-69.3-37.7178.4-82.3-23.4000113R594 Q601 N602R594-D598 PolarHBondContact O-N 2.87Å; D598-Q601 PolarHBondContact O-N 2.83Å; D598-N602 PolarHBondContact O-N 3.07Å
599N43.4Very low42.7Very low108 Ų108127.6 Ų127.658%0.57864%0.642SS**Hα-helixtrans-72.2-28.2177.4-75.8-17.7000113H595H595-N599 WeakPolarHBondContact O-CB 3.3Å; H595-N599 PolarHBondContact O-N 3.06Å
600S44.6Very low41.9Very low77 Ų77136.7 Ų136.754%0.53868%0.68SS.*Hα-helixtrans-78.6-21.8174.755.50000113.3A596 I597A596-S600 WeakPolarHBondContact O-CB 3.48Å; A596-S600 PolarHBondContact O-N 3.1Å; A596-S600 PolarHBondContact O-OG 3.41Å; I597-S600 PolarHBondContact O-N 3.19Å; I597-S600 PolarHBondContact O-OG 2.9Å
601Q44.1Very low41.4Very low136 Ų136138.7 Ų138.764%0.63669%0.69SS**Hα-helixtrans-85.6-21.1175.3-70.9-171.8-0.500114I597 D598I597-Q601 WeakPolarHBondContact O-CG 3.39Å; I597-Q601 PolarHBondContact O-N 3.35Å; D598-Q601 PolarHBondContact O-N 2.83Å
602N42.9Very low41Very low140 Ų140143.4 Ų143.475%0.74971%0.712SS**THydrogen-bonded Turntrans-82.9-6.2179-89.9-31.7000115.6D598D598-N602 PolarHBondContact O-N 3.07Å
603V44.6Very low40.5Very low123 Ų123145.4 Ų145.475%0.74572%0.72SS**THydrogen-bonded Turntrans-96.30.4-177.2-178.80000113.5
604K35.9Very low40.4Very low181 Ų181144.8 Ų144.879%0.78772%0.722SS**SBendtrans-131.150.3-175-68.6-171.4178.6-179.90115.7
605R31.5Very low40.3Very low229 Ų229143.4 Ų143.486%0.86473%0.728SS**  trans-138.7109.3161.2-74.3-169176.9-178.4-0.3112.5R607R605-R607 PolarHBondContact O-N 3.15Å
606P33.7Very low40Very low126 Ų126145.9 Ų145.982%0.81874%0.744SS**  trans-72.9112.3167.129.8-27.8000107.9K608P606-K608 PolarHBondContact O-N 2.89Å; P606-K608 VanDerWaalsContact O-N 3.12Å
607R38.1Very low39.6Very low250 Ų250151.7 Ų151.794%0.94376%0.759SS**  trans-71104.3169.7-92.9-176.4177.1163.60.7108.6R605R605-R607 PolarHBondContact O-N 3.15Å
608K38Very low38.9Very low204 Ų204156.2 Ų156.289%0.88778%0.781SS**  trans-57.9132.3159.5-77-178.5174.5-179.60108.9P606P606-K608 PolarHBondContact O-N 2.89Å; P606-K608 VanDerWaalsContact O-N 3.12Å
609S32.8Very low38.4Very low114 Ų114161.6 Ų161.680%0.79781%0.805SS**  trans-55.9133171.451.10000112.9
610L31.8Very low38Very low251 Ų251166.5 Ų166.5100%1.31483%0.825SS**  trans-145.60148.7-98.1165.1000108.2

Retrieved 610 of 610 residues in 537.8 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).