G4LWP9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4LWP9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 780 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
1M61.1Low60.1Low131 Ų13133.3 Ų33.365%0.64520%0.204SC*.  0111.40-72.3-167-92.300107P63 C109M1-P63 HydrophobicContact CB-CG 4.45Å; M1-P63 VanDerWaalsContact O-CD 3.3Å; M1-P63 WeakPolarHBondContact O-CD 3.12Å; M1-C109 WeakPolarHBondContact CA-O 3.41Å; M1-C109 WeakPolarHBondContact CB-O 3.44Å; M1-C109 WeakPolarHBondContact CG-O 3.35Å
2E65.7Low59Low37 Ų3736.7 Ų36.717%0.17322%0.22CC..  trans-122.8109.8-178.4-66.9-168.7145.800109.4R17 S20 C60 C61 C109E2-R17 IonicContact OE1-CZ 2.67Å; E2-R17 IonicContact OE1-NE 3.88Å; E2-R17 PolarHBondContact OE1-NE 3.21Å; E2-R17 IonicContact OE1-NH2 2.7Å; E2-R17 PolarHBondContact OE1-NH2 3.22Å; E2-S20 PolarHBondContact OE1-OG 3.46Å; E2-S20 WeakPolarHBondContact OE2-CB 3.41Å; E2-S20 PolarHBondContact OE2-N 3.1Å; E2-S20 PolarHBondContact OE2-OG 3.02Å; E2-C60 HydrophobicContact CB-CB 4.04Å; E2-C61 CarbonylContact C-O 3.56Å; E2-C61 VanDerWaalsContact CA-O 3.28Å; E2-C61 WeakPolarHBondContact CA-O 3.43Å; E2-C109 WeakPolarHBondContact O-CB 3.27Å; E2-C109 PolarHBondContact O-SG 2.77Å
3C69.6Low58.3Low0 Ų044.4 Ų44.40%025%0.252CS..EExtended strand (participates in β ladder)trans-77.3125.8175.4-41.80000109.4C60 C61 C69 C89C3-C60 CarbonylContact O-C 3.6Å; C3-C60 WeakPolarHBondContact O-CA 3.41Å; C3-C61 PolarHBondContact N-O 2.84Å; C3-C61 PolarHBondContact O-N 2.03Å; C3-C69 HydrophobicContact CB-CB 3.99Å; C3-C69 WeakPolarHBondContact CB-SG 3.17Å; C3-C69 WeakPolarHBondContact SG-CB 2.94Å; C3-C69 CovalentContact SG-SG 2.03Å; C3-C69 PolarHBondContact SG-SG 3.2Å; C3-C89 PolarHBondContact SG-SG 3.14Å
4M73.6Confident58.1Low6 Ų649.1 Ų49.13%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-73.8133.4173.9-168.9178-66.900110.4L22 W30 P58 L87 N115 V116M4-L22 HydrophobicContact CE-CD1 3.65Å; M4-L22 HydrophobicContact CE-CD2 3.56Å; M4-L22 HydrophobicContact CE-CG 4.2Å; M4-W30 HydrophobicContact CG-CH2 4.06Å; M4-W30 HydrophobicContact CG-CZ3 4.15Å; M4-W30 HydrophobicContact SD-CD2 3.69Å; M4-W30 HydrophobicContact SD-CE3 3.3Å; M4-W30 HydrophobicContact SD-CG 4.48Å; M4-W30 HydrophobicContact SD-CH2 3.66Å; M4-W30 HydrophobicContact SD-CZ2 4Å; M4-W30 HydrophobicContact SD-CZ3 3.31Å; M4-W30 WeakPolarHBondContact SD-CZ3 2.94Å; M4-P58 HydrophobicContact CE-CB 4.43Å; M4-P58 HydrophobicContact CG-CB 4.33Å; M4-P58 HydrophobicContact SD-CB 4.23Å; M4-L87 VanDerWaalsContact O-O 3.12Å; M4-N115 WeakPolarHBondContact CB-OD1 3.18Å; M4-N115 PolarHBondContact O-ND2 3.13Å; M4-V116 HydrophobicContact CE-CG2 3.49Å; M4-V116 VanDerWaalsContact CE-CG2 3.49Å; M4-V116 HydrophobicContact SD-CG2 3.87Å
5L68.1Low58.2Low11 Ų1152 Ų526%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-107.3134.4-176.2-66.6169.3000110L7 C16 F59 C61 L87 T88L5-L7 VanDerWaalsContact C-N 3.34Å; L5-C16 HydrophobicContact CD1-CB 4.29Å; L5-F59 HydrophobicContact CB-CB 4.37Å; L5-F59 PolarHBondContact N-O 2.84Å; L5-C61 HydrophobicContact CD1-CB 3.97Å; L5-C61 HydrophobicContact CG-CB 4.49Å; L5-L87 WeakPolarHBondContact CD2-O 3.39Å; L5-T88 HydrophobicContact CD2-CG2 4.23Å
6L66Low58.6Low6 Ų649.7 Ų49.73%0.03129%0.291CS..SBendtrans-80.5-25.8170.4-138.2133.4000111.1Y33 L37 Y50 Y51 L54 I74 D86L6-Y33 HydrophobicContact CD1-CE1 3.52Å; L6-L37 HydrophobicContact CD1-CD1 4.25Å; L6-L37 HydrophobicContact CD2-CD1 4.24Å; L6-Y50 PolarHBondContact O-OH 2.96Å; L6-Y51 HydrophobicContact CD2-CE1 3.61Å; L6-L54 WeakPolarHBondContact O-CD2 3.49Å; L6-I74 HydrophobicContact CD1-CD1 3.97Å; L6-I74 HydrophobicContact CD2-CD1 3.91Å; L6-I74 HydrophobicContact CG-CD1 4.46Å; L6-D86 HydrophobicContact CB-CB 4.39Å; L6-D86 VanDerWaalsContact CB-OD1 3.31Å; L6-D86 WeakPolarHBondContact CB-OD1 3.5Å; L6-D86 PolarHBondContact N-OD1 3.02Å
7L59.2Low59.5Low18 Ų1853.9 Ų53.99%0.09430%0.3CS..  trans-139.8135.4-179.3-73.8158.3000111L5 Y50 M461 T492L5-L7 VanDerWaalsContact C-N 3.34Å; L7-Y50 WeakPolarHBondContact CA-OH 3.47Å; L7-Y50 HydrophobicContact CD2-CD1 4.25Å; L7-Y50 HydrophobicContact CD2-CE1 3.47Å; L7-Y50 VanDerWaalsContact CD2-CE1 3.47Å; L7-Y50 HydrophobicContact CG-CE1 4.42Å; L7-M461 HydrophobicContact CD1-CE 3.79Å; L7-M461 HydrophobicContact CD2-CE 3.28Å; L7-M461 HydrophobicContact CD2-SD 4.19Å; L7-M461 HydrophobicContact CG-CE 4.12Å; L7-T492 HydrophobicContact CD1-CG2 3.3Å
8C58.7Low60.4Low16 Ų1656.1 Ų56.111%0.10832%0.318CS..  trans-110.9114.8171.2177.90000110.4C16 Y50 F59C8-C16 VanDerWaalsContact CA-SG 3.54Å; C8-C16 HydrophobicContact CB-CB 3.61Å; C8-C16 WeakPolarHBondContact CB-SG 3.25Å; C8-C16 WeakPolarHBondContact SG-CB 3.42Å; C8-C16 CovalentContact SG-SG 2.02Å; C8-C16 PolarHBondContact SG-SG 3.12Å; C8-Y50 PolarHBondContact N-OH 2.7Å; C8-F59 HydrophobicContact CB-CD2 4.38Å; C8-F59 HydrophobicContact CB-CG 4.47Å
9P50.9Low61.3Low33 Ų3354.2 Ų54.221%0.21431%0.308CS..  trans-64.7138.4174.1-13.626.6000110.8A11 N12 Q13 L491P9-A11 PolarHBondContact O-N 3.04Å; P9-N12 CarbonylContact O-C 3.54Å; P9-N12 PolarHBondContact O-N 3.4Å; P9-N12 VanDerWaalsContact O-N 3.07Å; P9-Q13 PolarHBondContact O-N 3.33Å; P9-L491 HydrophobicContact CB-CD1 4.28Å; P9-L491 HydrophobicContact CG-CD1 4.42Å
10A45.7Very low62Low38 Ų3854.8 Ų54.831%0.31432%0.316SS..G310 helixtrans-66.2-27.9-17900000112.9N12 Q13 N468A10-N12 PolarHBondContact O-N 3.07Å; A10-Q13 PolarHBondContact O-N 3.05Å; A10-N468 HydrophobicContact CB-CB 4.45Å; A10-N468 WeakPolarHBondContact CB-O 3.41Å
11A42.6Very low62.7Low70 Ų7058.7 Ų58.758%0.57934%0.343SS*.G310 helixtrans-63.6-25174.800000113.1P9 D472P9-A11 PolarHBondContact O-N 3.04Å; A11-D472 WeakPolarHBondContact CB-OD2 3.24Å
12N47.1Very low63.3Low74 Ų7454.2 Ų54.240%0.39632%0.321SS..G310 helixtrans-115.427-179.2-71.54000112P9 A10 S14 D15 C16P9-N12 CarbonylContact O-C 3.54Å; P9-N12 PolarHBondContact O-N 3.4Å; P9-N12 VanDerWaalsContact O-N 3.07Å; A10-N12 PolarHBondContact O-N 3.07Å; N12-S14 PolarHBondContact O-N 3.1Å; N12-S14 VanDerWaalsContact O-N 3.11Å; N12-D15 HydrophobicContact CB-CB 4.37Å; N12-D15 WeakPolarHBondContact O-CA 3.32Å; N12-D15 WeakPolarHBondContact O-CB 3.35Å; N12-D15 PolarHBondContact O-N 3.17Å; N12-C16 PolarHBondContact O-N 3.06Å
13Q49.9Very low63.9Low137 Ų13755 Ų5564%0.6433%0.331SS*.THydrogen-bonded Turntrans-55.2-30.3177.9-96.6177.515.100113.2P9 A10 D15 C16P9-Q13 PolarHBondContact O-N 3.33Å; A10-Q13 PolarHBondContact O-N 3.05Å; Q13-D15 PolarHBondContact O-N 2.84Å; Q13-C16 PolarHBondContact O-N 3.29Å
14S55.3Low64.4Low110 Ų11064.5 Ų64.577%0.76937%0.373SS*.THydrogen-bonded Turntrans-61.2-26.5173.753.90000113.3N12N12-S14 PolarHBondContact O-N 3.1Å; N12-S14 VanDerWaalsContact O-N 3.11Å
15D58.8Low64.8Low93 Ų9370.9 Ų70.950%0.49740%0.4SS..THydrogen-bonded Turntrans-97.2-16.6-174.2-58.8-12000112.3N12 Q13 C61N12-D15 HydrophobicContact CB-CB 4.37Å; N12-D15 WeakPolarHBondContact O-CA 3.32Å; N12-D15 WeakPolarHBondContact O-CB 3.35Å; N12-D15 PolarHBondContact O-N 3.17Å; Q13-D15 PolarHBondContact O-N 2.84Å; D15-C61 WeakPolarHBondContact O-CA 3.38Å
16C65.9Low65.3Low15 Ų1572.6 Ų72.610%0.10141%0.408CS..  trans-96.899.6174.7-49.60000110.5L5 C8 N12 Q13L5-C16 HydrophobicContact CD1-CB 4.29Å; C8-C16 VanDerWaalsContact CA-SG 3.54Å; C8-C16 HydrophobicContact CB-CB 3.61Å; C8-C16 WeakPolarHBondContact CB-SG 3.25Å; C8-C16 WeakPolarHBondContact SG-CB 3.42Å; C8-C16 CovalentContact SG-SG 2.02Å; C8-C16 PolarHBondContact SG-SG 3.12Å; N12-C16 PolarHBondContact O-N 3.06Å; Q13-C16 PolarHBondContact O-N 3.29Å
17R73.1Confident66.2Low121 Ų12175 Ų7546%0.45742%0.418SS..EExtended strand (participates in β ladder)trans-98.3154.8171.963.5-175.5-173.4-157.43.9110.8E2 C19 F59 C60 T62E2-R17 IonicContact OE1-CZ 2.67Å; E2-R17 IonicContact OE1-NE 3.88Å; E2-R17 PolarHBondContact OE1-NE 3.21Å; E2-R17 IonicContact OE1-NH2 2.7Å; E2-R17 PolarHBondContact OE1-NH2 3.22Å; R17-C19 PolarHBondContact O-N 2.83Å; R17-F59 CarbonylContact O-C 3.49Å; R17-C60 PolarHBondContact N-O 2.93Å; R17-C60 PolarHBondContact O-N 2.97Å; R17-T62 VanDerWaalsContact CZ-OG1 3.3Å; R17-T62 PolarHBondContact NH2-OG1 3.06Å
18P76.7Confident67.4Low94 Ų9481.1 Ų81.161%0.6145%0.445SS*.EExtended strand (participates in β ladder)trans-51.5133.3165-24.334.1000109.8
19C76.2Confident68.7Low20 Ų2080.6 Ų80.614%0.13544%0.441CS..PPolyproline II helixtrans-60.7149.1177.5-65.30000110.9R17 P58 F59 C60R17-C19 PolarHBondContact O-N 2.83Å; C19-P58 HydrophobicContact CB-CB 4.48Å; C19-P58 HydrophobicContact CB-CG 4.14Å; C19-P58 PolarHBondContact N-O 2.8Å; C19-P58 PolarHBondContact SG-O 3.47Å; C19-P58 VanDerWaalsContact SG-O 3.41Å; C19-F59 PolarHBondContact SG-O 3.21Å; C19-C60 HydrophobicContact CB-CB 3.94Å; C19-C60 WeakPolarHBondContact CB-SG 3.31Å; C19-C60 WeakPolarHBondContact SG-CB 3.43Å; C19-C60 PolarHBondContact SG-N 3.43Å; C19-C60 CovalentContact SG-SG 2.03Å; C19-C60 PolarHBondContact SG-SG 2.92Å
20S75.2Confident70.2Confident66 Ų6679.5 Ų79.546%0.46243%0.432SS..PPolyproline II helixtrans-56.2151.3166.6-57.20000111E2 L22E2-S20 PolarHBondContact OE1-OG 3.46Å; E2-S20 WeakPolarHBondContact OE2-CB 3.41Å; E2-S20 PolarHBondContact OE2-N 3.1Å; E2-S20 PolarHBondContact OE2-OG 3.02Å; S20-L22 PolarHBondContact O-N 3.13Å; S20-L22 VanDerWaalsContact O-N 3.12Å
21P76.3Confident72.2Confident137 Ų13779.9 Ų79.989%0.8943%0.429SS*.PPolyproline II helixtrans-52120.3-177.2-26.833.8000112.6
22L75.5Confident74.2Confident36 Ų3681 Ų8119%0.18842%0.418CS..PPolyproline II helixtrans-72.6148.3-179.3-66.8170.7000111M4 S20 H26 Q27 P58M4-L22 HydrophobicContact CE-CD1 3.65Å; M4-L22 HydrophobicContact CE-CD2 3.56Å; M4-L22 HydrophobicContact CE-CG 4.2Å; S20-L22 PolarHBondContact O-N 3.13Å; S20-L22 VanDerWaalsContact O-N 3.12Å; L22-H26 HydrophobicContact CB-CB 4.15Å; L22-H26 HydrophobicContact CD2-CB 4.27Å; L22-Q27 HydrophobicContact CB-CB 4.28Å; L22-P58 HydrophobicContact CD1-CG 3.94Å
23S78Confident75.9Confident55 Ų5577.6 Ų77.639%0.38540%0.4SS..PPolyproline II helixtrans-57.8150.516881.10000109.9K25 H26 Q27S23-K25 PolarHBondContact O-N 3.38Å; S23-K25 VanDerWaalsContact O-N 3.07Å; S23-H26 PolarHBondContact O-N 3.02Å; S23-H26 WeakPolarHBondContact OG-CB 3.36Å; S23-H26 PolarHBondContact OG-N 3.32Å; S23-H26 VanDerWaalsContact OG-N 3.14Å; S23-H26 PolarHBondContact OG-ND1 3.45Å; S23-H26 VanDerWaalsContact OG-ND1 3.17Å; S23-Q27 PolarHBondContact O-N 2.74Å
24K80.1Confident77.4Confident199 Ų19971.1 Ų71.187%0.86537%0.37SS*.Hα-helixtrans-52.8-36178.6-72.1-174.4178.6179.80112.7K28K24-K28 WeakPolarHBondContact O-CB 3.19Å; K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.1Å
25K80.7Confident78.6Confident139 Ų13969.3 Ų69.360%0.60435%0.352SS*.Hα-helixtrans-66.7-46.6176.2-174179179-1780111.4S23 K28 N29S23-K25 PolarHBondContact O-N 3.38Å; S23-K25 VanDerWaalsContact O-N 3.07Å; K25-K28 PolarHBondContact O-N 2.93Å; K25-N29 PolarHBondContact O-N 3.28Å
26H80.2Confident79.4Confident47 Ų4765.9 Ų65.922%0.21833%0.333CS..Hα-helixtrans-67.2-43.2178.4-64.1155.7000111.9L22 S23 K28 N29 W30 C114 V116L22-H26 HydrophobicContact CB-CB 4.15Å; L22-H26 HydrophobicContact CD2-CB 4.27Å; S23-H26 PolarHBondContact O-N 3.02Å; S23-H26 WeakPolarHBondContact OG-CB 3.36Å; S23-H26 PolarHBondContact OG-N 3.32Å; S23-H26 VanDerWaalsContact OG-N 3.14Å; S23-H26 PolarHBondContact OG-ND1 3.45Å; S23-H26 VanDerWaalsContact OG-ND1 3.17Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 2.71Å; H26-N29 PolarHBondContact O-N 3.04Å; H26-W30 WeakPolarHBondContact O-CB 3.35Å; H26-W30 PolarHBondContact O-N 2.83Å; H26-C114 VanDerWaalsContact CE1-CB 3.43Å; H26-C114 WeakPolarHBondContact CE1-CB 3.27Å; H26-C114 WeakPolarHBondContact ND1-CB 3.29Å; H26-V116 HydrophobicContact CB-CB 4.38Å; H26-V116 HydrophobicContact CB-CG2 4.25Å; H26-V116 WeakPolarHBondContact O-CG1 3.29Å
27Q83.9Confident79.7Confident56 Ų5665.7 Ų65.726%0.26233%0.331SS..Hα-helixtrans-59-42.5175.3-171.867.846.600111.5L22 S23 W30 N31 K55L22-Q27 HydrophobicContact CB-CB 4.28Å; S23-Q27 PolarHBondContact O-N 2.74Å; Q27-W30 PolarHBondContact O-N 2.81Å; Q27-N31 PolarHBondContact NE2-OD1 3.29Å; Q27-N31 WeakPolarHBondContact O-CB 3.05Å; Q27-N31 PolarHBondContact O-N 3.45Å; Q27-N31 PolarHBondContact O-OD1 2.84Å; Q27-K55 PolarHBondContact NE2-O 3.03Å
28K85Confident79.7Confident148 Ų14861 Ų6164%0.64332%0.315SS*.Hα-helixtrans-61.2-45.9176.9-177.2179.9179.3-1790111.8K24 K25 H26 R32K24-K28 WeakPolarHBondContact O-CB 3.19Å; K24-K28 PolarHBondContact O-N 3.34Å; K24-K28 VanDerWaalsContact O-N 3.1Å; K25-K28 PolarHBondContact O-N 2.93Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 2.71Å; K28-R32 WeakPolarHBondContact O-CB 3.09Å; K28-R32 PolarHBondContact O-N 3.17Å
29N84.8Confident79.5Confident5 Ų559.9 Ų59.93%0.02731%0.309CS..Hα-helixtrans-69.2-39.3180-76.63000112.1K25 H26 R32 Y33 V116 P117 S119 L122K25-N29 PolarHBondContact O-N 3.28Å; H26-N29 PolarHBondContact O-N 3.04Å; N29-R32 PolarHBondContact O-N 3.42Å; N29-Y33 WeakPolarHBondContact O-CB 3.38Å; N29-Y33 PolarHBondContact O-N 2.8Å; N29-V116 HydrophobicContact CB-CG1 3.43Å; N29-V116 VanDerWaalsContact CB-CG1 3.43Å; N29-P117 VanDerWaalsContact CB-O 3.25Å; N29-P117 WeakPolarHBondContact CB-O 3.45Å; N29-P117 PolarHBondContact ND2-O 3.06Å; N29-S119 PolarHBondContact ND2-N 2.02Å; N29-S119 PolarHBondContact ND2-OG 3.11Å; N29-S119 PolarHBondContact OD1-OG 3.37Å; N29-L122 HydrophobicContact CB-CD1 3.67Å; N29-L122 WeakPolarHBondContact O-CD1 2.99Å
30W84.2Confident78.9Confident9 Ų960.6 Ų60.63%0.03431%0.312CS..Hα-helixtrans-58.9-50.4173.2177.6-112.9000111.2M4 H26 Q27 R32 Y33 I34 L54 P58 V116M4-W30 HydrophobicContact CG-CH2 4.06Å; M4-W30 HydrophobicContact CG-CZ3 4.15Å; M4-W30 HydrophobicContact SD-CD2 3.69Å; M4-W30 HydrophobicContact SD-CE3 3.3Å; M4-W30 HydrophobicContact SD-CG 4.48Å; M4-W30 HydrophobicContact SD-CH2 3.66Å; M4-W30 HydrophobicContact SD-CZ2 4Å; M4-W30 HydrophobicContact SD-CZ3 3.31Å; M4-W30 WeakPolarHBondContact SD-CZ3 2.94Å; H26-W30 WeakPolarHBondContact O-CB 3.35Å; H26-W30 PolarHBondContact O-N 2.83Å; Q27-W30 PolarHBondContact O-N 2.81Å; W30-R32 VanDerWaalsContact C-N 3.27Å; W30-R32 PolarHBondContact O-N 3.34Å; W30-Y33 HydrophobicContact CE3-CD1 4.18Å; W30-Y33 HydrophobicContact CZ3-CD1 4.02Å; W30-Y33 HydrophobicContact CZ3-CE1 4.44Å; W30-Y33 WeakPolarHBondContact O-CB 3.44Å; W30-Y33 PolarHBondContact O-N 2.92Å; W30-Y33 VanDerWaalsContact O-N 3.08Å; W30-I34 HydrophobicContact CD2-CD1 4.5Å; W30-I34 HydrophobicContact CD2-CG1 4.13Å; W30-I34 HydrophobicContact CH2-CD1 4Å; W30-I34 HydrophobicContact CZ2-CD1 3.79Å; W30-I34 HydrophobicContact CZ2-CG1 4.11Å; W30-I34 HydrophobicContact CZ3-CD1 4.4Å; W30-I34 WeakPolarHBondContact O-CG1 3.28Å; W30-I34 PolarHBondContact O-N 3.29Å; W30-L54 HydrophobicContact CH2-CD2 4.41Å; W30-L54 HydrophobicContact CZ2-CD2 4.04Å; W30-L54 HydrophobicContact CZ2-CG 3.91Å; W30-L54 PolarHBondContact NE1-O 3.34Å; W30-L54 VanDerWaalsContact NE1-O 3.12Å; W30-P58 HydrophobicContact CZ2-CB 3.95Å; W30-V116 HydrophobicContact CB-CG1 4.25Å; W30-V116 HydrophobicContact CB-CG2 4.42Å
31N86.8Confident78.4Confident47 Ų4759.8 Ų59.825%0.25130%0.298SS..Hα-helixtrans-56.6-44.5177.5-71.7-4.8000111.3Q27 I34 D35 K55Q27-N31 PolarHBondContact NE2-OD1 3.29Å; Q27-N31 WeakPolarHBondContact O-CB 3.05Å; Q27-N31 PolarHBondContact O-N 3.45Å; Q27-N31 PolarHBondContact O-OD1 2.84Å; N31-I34 PolarHBondContact O-N 2.66Å; N31-D35 WeakPolarHBondContact O-CB 3.39Å; N31-D35 PolarHBondContact O-N 3.02Å; N31-D35 VanDerWaalsContact O-OD2 3.09Å; N31-K55 PolarHBondContact OD1-O 3.2Å
32R85.1Confident77.4Confident92 Ų9258 Ų5835%0.34728%0.279SS..Hα-helixtrans-66.5-36.9177.9-175.3168.3-176.2167.3-0.3112.4K28 N29 W30 D35 L36 L122 M123K28-R32 WeakPolarHBondContact O-CB 3.09Å; K28-R32 PolarHBondContact O-N 3.17Å; N29-R32 PolarHBondContact O-N 3.42Å; W30-R32 VanDerWaalsContact C-N 3.27Å; W30-R32 PolarHBondContact O-N 3.34Å; R32-D35 PolarHBondContact O-N 3.36Å; R32-L36 HydrophobicContact CG-CD1 4.38Å; R32-L36 VanDerWaalsContact O-CG 3.3Å; R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 3Å; R32-L122 HydrophobicContact CB-CD1 4.12Å; R32-L122 HydrophobicContact CG-CD1 4.27Å; R32-M123 PolarHBondContact NH2-SD 3.35Å; R32-M123 VanDerWaalsContact NH2-SD 3.43Å
33Y82.2Confident76.7Confident4 Ų458.9 Ų58.92%0.01628%0.283CS..Hα-helixtrans-63.4-48.1175.2-176.6-123.9000111.6L6 N29 W30 D35 L36 L37 F84 Y85 P117 L122 L125L6-Y33 HydrophobicContact CD1-CE1 3.52Å; N29-Y33 WeakPolarHBondContact O-CB 3.38Å; N29-Y33 PolarHBondContact O-N 2.8Å; W30-Y33 HydrophobicContact CE3-CD1 4.18Å; W30-Y33 HydrophobicContact CZ3-CD1 4.02Å; W30-Y33 HydrophobicContact CZ3-CE1 4.44Å; W30-Y33 WeakPolarHBondContact O-CB 3.44Å; W30-Y33 PolarHBondContact O-N 2.92Å; W30-Y33 VanDerWaalsContact O-N 3.08Å; Y33-D35 VanDerWaalsContact C-N 3.3Å; Y33-D35 PolarHBondContact O-N 3.12Å; Y33-L36 PolarHBondContact O-N 2.98Å; Y33-L37 HydrophobicContact CD1-CD1 4.05Å; Y33-L37 HydrophobicContact CE1-CD1 3.79Å; Y33-L37 PolarHBondContact O-N 2.89Å; Y33-F84 AromaticContact CE2-CD1 3.68Å; Y33-F84 HydrophobicContact CE2-CD1 3.68Å; Y33-F84 HydrophobicContact CE2-CE1 4.14Å; Y33-Y85 PolarHBondContact OH-N 3.23Å; Y33-Y85 VanDerWaalsContact OH-N 3.1Å; Y33-Y85 PolarHBondContact OH-O 3.05Å; Y33-P117 HydrophobicContact CD1-CG 4.29Å; Y33-P117 HydrophobicContact CD2-CG 3.81Å; Y33-P117 HydrophobicContact CE2-CG 4.24Å; Y33-P117 HydrophobicContact CG-CG 3.86Å; Y33-L122 HydrophobicContact CD2-CD2 4.01Å; Y33-L122 HydrophobicContact CG-CD2 4.38Å; Y33-L125 HydrophobicContact CD2-CD1 4.1Å; Y33-L125 HydrophobicContact CE2-CD1 4.04Å
34I80.6Confident75.8Confident0 Ų064.3 Ų64.30%030%0.3CS..Hα-helixtrans-63.3-37.6175.4-59.6-59.7000111.1W30 N31 L36 L37 L38 L54 K55W30-I34 HydrophobicContact CD2-CD1 4.5Å; W30-I34 HydrophobicContact CD2-CG1 4.13Å; W30-I34 HydrophobicContact CH2-CD1 4Å; W30-I34 HydrophobicContact CZ2-CD1 3.79Å; W30-I34 HydrophobicContact CZ2-CG1 4.11Å; W30-I34 HydrophobicContact CZ3-CD1 4.4Å; W30-I34 WeakPolarHBondContact O-CG1 3.28Å; W30-I34 PolarHBondContact O-N 3.29Å; N31-I34 PolarHBondContact O-N 2.66Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 2.03Å; I34-L37 HydrophobicContact CD1-CD1 3.99Å; I34-L37 WeakPolarHBondContact O-CB 3.33Å; I34-L37 PolarHBondContact O-N 2.78Å; I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 WeakPolarHBondContact O-CB 2.98Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.3Å; I34-L38 PolarHBondContact O-N 2.65Å; I34-L54 HydrophobicContact CD1-CD2 4.18Å; I34-K55 HydrophobicContact CB-CB 4.33Å; I34-K55 HydrophobicContact CB-CG 4.19Å; I34-K55 HydrophobicContact CG1-CB 4.49Å; I34-K55 HydrophobicContact CG2-CB 3.89Å; I34-K55 HydrophobicContact CG2-CD 4.32Å; I34-K55 HydrophobicContact CG2-CG 4.16Å
35D80.8Confident74.3Confident73 Ų7362.1 Ų62.139%0.3930%0.297SS..Hα-helixtrans-64.2-38175.4-73.8-30.7000112.4N31 R32 Y33 L38 S39 K55N31-D35 WeakPolarHBondContact O-CB 3.39Å; N31-D35 PolarHBondContact O-N 3.02Å; N31-D35 VanDerWaalsContact O-OD2 3.09Å; R32-D35 PolarHBondContact O-N 3.36Å; Y33-D35 VanDerWaalsContact C-N 3.3Å; Y33-D35 PolarHBondContact O-N 3.12Å; D35-L38 PolarHBondContact O-N 3.2Å; D35-S39 VanDerWaalsContact O-CB 3.27Å; D35-S39 WeakPolarHBondContact O-CB 3.3Å; D35-S39 PolarHBondContact O-N 2.84Å; D35-S39 PolarHBondContact O-OG 3.16Å; D35-K55 WeakPolarHBondContact OD1-CE 3.48Å; D35-K55 IonicContact OD1-NZ 2.82Å; D35-K55 PolarHBondContact OD1-NZ 3.46Å; D35-K55 IonicContact OD2-NZ 2.99Å; D35-K55 PolarHBondContact OD2-NZ 2.74Å
36L76.1Confident73Confident20 Ų2061.4 Ų61.411%0.10530%0.295CS..Hα-helixtrans-65.9-44.9174.5-72.1164.5000111.5R32 Y33 I34 L38 S39 N40 F84 L122 L125 V126R32-L36 HydrophobicContact CG-CD1 4.38Å; R32-L36 VanDerWaalsContact O-CG 3.3Å; R32-L36 WeakPolarHBondContact O-CG 3.37Å; R32-L36 PolarHBondContact O-N 3Å; Y33-L36 PolarHBondContact O-N 2.98Å; I34-L36 VanDerWaalsContact C-N 3.34Å; I34-L36 PolarHBondContact O-N 2.03Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 3.2Å; L36-S39 WeakPolarHBondContact CA-OG 3.5Å; L36-S39 PolarHBondContact O-N 3.32Å; L36-S39 PolarHBondContact O-OG 2.99Å; L36-N40 PolarHBondContact O-N 3.46Å; L36-N40 VanDerWaalsContact O-N 3.13Å; L36-N40 PolarHBondContact O-ND2 3.41Å; L36-F84 HydrophobicContact CB-CE1 4.37Å; L36-L122 HydrophobicContact CD1-CD2 3.8Å; L36-L125 HydrophobicContact CD1-CB 3.93Å; L36-V126 HydrophobicContact CD1-CG2 3.82Å; L36-V126 HydrophobicContact CD2-CB 4.34Å; L36-V126 HydrophobicContact CD2-CG2 3.55Å; L36-V126 HydrophobicContact CG-CG2 4.21Å
37L73.1Confident71.8Confident12 Ų1261 Ų616%0.06330%0.295CS..Hα-helixtrans-54.8-50.4173.4-81163.4000111.2L6 Y33 I34 S39 N40 W41 F84L6-L37 HydrophobicContact CD1-CD1 4.25Å; L6-L37 HydrophobicContact CD2-CD1 4.24Å; Y33-L37 HydrophobicContact CD1-CD1 4.05Å; Y33-L37 HydrophobicContact CE1-CD1 3.79Å; Y33-L37 PolarHBondContact O-N 2.89Å; I34-L37 HydrophobicContact CD1-CD1 3.99Å; I34-L37 WeakPolarHBondContact O-CB 3.33Å; I34-L37 PolarHBondContact O-N 2.78Å; L37-S39 PolarHBondContact O-N 3.05Å; L37-N40 PolarHBondContact O-N 3.32Å; L37-W41 PolarHBondContact O-N 3.1Å; L37-F84 HydrophobicContact CB-CE1 4.34Å; L37-F84 HydrophobicContact CB-CZ 4.49Å; L37-F84 HydrophobicContact CD2-CB 3.93Å; L37-F84 HydrophobicContact CD2-CD1 3.26Å; L37-F84 HydrophobicContact CD2-CD2 3.65Å; L37-F84 HydrophobicContact CD2-CE1 3.53Å; L37-F84 HydrophobicContact CD2-CE2 3.89Å; L37-F84 HydrophobicContact CD2-CG 3.33Å; L37-F84 HydrophobicContact CD2-CZ 3.83Å; L37-F84 HydrophobicContact CG-CD1 3.63Å; L37-F84 HydrophobicContact CG-CE1 3.54Å; L37-F84 HydrophobicContact CG-CG 4.22Å; L37-F84 HydrophobicContact CG-CZ 4.06Å
38L72.6Confident70.7Confident22 Ų2259.1 Ų59.112%0.11529%0.287CS..Hα-helixtrans-67.6-33.5179.4-70.5175.8000112.8I34 D35 L36 N40 W41 L47 Y51I34-L38 HydrophobicContact CG2-CD1 3.91Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 WeakPolarHBondContact O-CB 2.98Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.3Å; I34-L38 PolarHBondContact O-N 2.65Å; D35-L38 PolarHBondContact O-N 3.2Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 3.2Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.49Å; L38-W41 VanDerWaalsContact O-CB 3.24Å; L38-W41 WeakPolarHBondContact O-CB 3.5Å; L38-W41 PolarHBondContact O-N 3.27Å; L38-L47 HydrophobicContact CD2-CD1 4.49Å; L38-L47 HydrophobicContact CD2-CD2 4.25Å; L38-L47 HydrophobicContact CD2-CG 4.11Å; L38-Y51 HydrophobicContact CD2-CD2 4.37Å; L38-Y51 HydrophobicContact CD2-CG 4.44Å
39S71.5Confident69.9Low71 Ų7156 Ų5650%0.49728%0.281SS..Hα-helixtrans-69.4-30.2178.773.90000113.2D35 L36 L37 W41D35-S39 VanDerWaalsContact O-CB 3.27Å; D35-S39 WeakPolarHBondContact O-CB 3.3Å; D35-S39 PolarHBondContact O-N 2.84Å; D35-S39 PolarHBondContact O-OG 3.16Å; L36-S39 WeakPolarHBondContact CA-OG 3.5Å; L36-S39 PolarHBondContact O-N 3.32Å; L36-S39 PolarHBondContact O-OG 2.99Å; L37-S39 PolarHBondContact O-N 3.05Å; S39-W41 VanDerWaalsContact C-N 3.28Å
40N65.2Low69Low34 Ų3457.4 Ų57.418%0.18229%0.286CS..THydrogen-bonded Turntrans-86.1-1.6177.6-70.5-34.5000112.8L36 L37 L38 P81 F84L36-N40 PolarHBondContact O-N 3.46Å; L36-N40 VanDerWaalsContact O-N 3.13Å; L36-N40 PolarHBondContact O-ND2 3.41Å; L37-N40 PolarHBondContact O-N 3.32Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 3.49Å; N40-P81 WeakPolarHBondContact ND2-CD 3.46Å; N40-F84 HydrophobicContact CB-CE2 4.3Å; N40-F84 HydrophobicContact CB-CZ 4.47Å; N40-F84 WeakPolarHBondContact ND2-CZ 3.48Å
41W64.3Low68.5Low49 Ų4957.5 Ų57.519%0.18629%0.287CS..  trans-74.3124.4179.7-153.5-89000111.1L37 L38 S39 P48 Y51 M461L37-W41 PolarHBondContact O-N 3.1Å; L38-W41 VanDerWaalsContact O-CB 3.24Å; L38-W41 WeakPolarHBondContact O-CB 3.5Å; L38-W41 PolarHBondContact O-N 3.27Å; S39-W41 VanDerWaalsContact C-N 3.28Å; W41-P48 HydrophobicContact CD2-CG 4.38Å; W41-P48 HydrophobicContact CZ2-CG 3.91Å; W41-Y51 HydrophobicContact CE3-CE2 4.48Å; W41-Y51 HydrophobicContact CH2-CE2 4.19Å; W41-Y51 AromaticContact CZ3-CE2 3.87Å; W41-Y51 HydrophobicContact CZ3-CE2 3.87Å; W41-M461 HydrophobicContact CH2-CB 4.15Å; W41-M461 HydrophobicContact CH2-CG 3.41Å; W41-M461 VanDerWaalsContact CH2-CG 3.41Å; W41-M461 HydrophobicContact CZ2-CB 4.16Å; W41-M461 HydrophobicContact CZ2-CG 3.92Å; W41-M461 HydrophobicContact CZ3-CG 4.31Å
42E55.1Low67.8Low101 Ų10161.6 Ų61.647%0.47230%0.298SS..SBendtrans-70.3-42.6-176.1-74.5-174.8160.500112.5K44E42-K44 PolarHBondContact O-N 3.48Å; E42-K44 VanDerWaalsContact O-N 3.13Å
43D59.9Low67.4Low54 Ų5462.8 Ų62.829%0.28931%0.308SS..  trans-85.886.3-179-167.3-12.2000111.3L45 H46D43-L45 PolarHBondContact O-N 2.96Å; D43-L45 WeakPolarHBondContact OD1-CA 3.4Å; D43-L45 VanDerWaalsContact OD1-CB 3.27Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 3.38Å; D43-H46 PolarHBondContact OD1-N 2.78Å; D43-H46 IonicContact OD1-ND1 2.91Å; D43-H46 PolarHBondContact OD1-ND1 2.9Å; D43-H46 IonicContact OD2-CE1 3.39Å; D43-H46 IonicContact OD2-CG 2.84Å; D43-H46 IonicContact OD2-ND1 2.71Å; D43-H46 PolarHBondContact OD2-ND1 3.34Å
44K59.3Low67.1Low168 Ų16862.6 Ų62.673%0.7331%0.307SS*.SBendtrans-68.7-20.3173.1-66.8-169.5178.4-1750112.9E42E42-K44 PolarHBondContact O-N 3.48Å; E42-K44 VanDerWaalsContact O-N 3.13Å
45L49.5Very low67.3Low154 Ų15465.2 Ų65.281%0.80632%0.319SS*.THydrogen-bonded Turntrans-74.5-37.5-177.2-141.982.2000110.5D43D43-L45 PolarHBondContact O-N 2.96Å; D43-L45 WeakPolarHBondContact OD1-CA 3.4Å; D43-L45 VanDerWaalsContact OD1-CB 3.27Å; D43-L45 WeakPolarHBondContact OD1-CB 3.48Å; D43-L45 PolarHBondContact OD1-N 3.38Å
46H53.5Low67.3Low123 Ų12364.6 Ų64.657%0.56932%0.323SS*.THydrogen-bonded Turntrans-112.454.3176.7-50.997000111.4D43 P48D43-H46 PolarHBondContact OD1-N 2.78Å; D43-H46 IonicContact OD1-ND1 2.91Å; D43-H46 PolarHBondContact OD1-ND1 2.9Å; D43-H46 IonicContact OD2-CE1 3.39Å; D43-H46 IonicContact OD2-CG 2.84Å; D43-H46 IonicContact OD2-ND1 2.71Å; D43-H46 PolarHBondContact OD2-ND1 3.34Å; H46-P48 WeakPolarHBondContact O-CD 3.37Å; H46-P48 VanDerWaalsContact O-N 3.12Å
47L55.4Low67.5Low40 Ų4069.9 Ų69.921%0.20935%0.347CS..  trans-56.9120.6176.6-149.285.6000109.3L38 T49 R52L38-L47 HydrophobicContact CD2-CD1 4.49Å; L38-L47 HydrophobicContact CD2-CD2 4.25Å; L38-L47 HydrophobicContact CD2-CG 4.11Å; L47-T49 PolarHBondContact O-N 2.6Å; L47-R52 VanDerWaalsContact CD2-NH2 3.31Å
48P60.7Low67.8Low15 Ų1569.8 Ų69.810%0.09735%0.347CS..  trans-63.4115-168.9-21.130.7000110.8W41 H46 Y50 Y51 M461W41-P48 HydrophobicContact CD2-CG 4.38Å; W41-P48 HydrophobicContact CZ2-CG 3.91Å; H46-P48 WeakPolarHBondContact O-CD 3.37Å; H46-P48 VanDerWaalsContact O-N 3.12Å; P48-Y50 PolarHBondContact O-N 3.22Å; P48-Y50 VanDerWaalsContact O-N 3.13Å; P48-Y51 HydrophobicContact CB-CD2 3.83Å; P48-Y51 HydrophobicContact CB-CE2 4.49Å; P48-Y51 HydrophobicContact CG-CD2 3.94Å; P48-Y51 HydrophobicContact CG-CE2 4.39Å; P48-Y51 PolarHBondContact O-N 3.08Å; P48-M461 HydrophobicContact CG-CB 4.38Å
49T67.6Low68Low84 Ų8471.6 Ų71.652%0.51535%0.354SS..Hα-helixtrans-52.4-36.4177.1-51.10000111.1L47 Y51 R52 E53L47-T49 PolarHBondContact O-N 2.6Å; T49-Y51 VanDerWaalsContact C-N 3.35Å; T49-Y51 PolarHBondContact O-N 2.88Å; T49-R52 PolarHBondContact O-N 3.43Å; T49-R52 VanDerWaalsContact O-N 3.13Å; T49-E53 PolarHBondContact O-N 2.92Å
50Y66.6Low68.3Low33 Ų3368.4 Ų68.413%0.12933%0.332CS..Hα-helixtrans-47.8-49.4174.4-178.6-102.1000113.7L6 L7 C8 P48 R52 E53 L54 M461 L465L6-Y50 PolarHBondContact O-OH 2.96Å; L7-Y50 WeakPolarHBondContact CA-OH 3.47Å; L7-Y50 HydrophobicContact CD2-CD1 4.25Å; L7-Y50 HydrophobicContact CD2-CE1 3.47Å; L7-Y50 VanDerWaalsContact CD2-CE1 3.47Å; L7-Y50 HydrophobicContact CG-CE1 4.42Å; C8-Y50 PolarHBondContact N-OH 2.7Å; P48-Y50 PolarHBondContact O-N 3.22Å; P48-Y50 VanDerWaalsContact O-N 3.13Å; Y50-R52 PolarHBondContact O-N 3.43Å; Y50-E53 PolarHBondContact O-N 3.3Å; Y50-L54 HydrophobicContact CE1-CD2 4.21Å; Y50-L54 VanDerWaalsContact O-CB 3.29Å; Y50-L54 WeakPolarHBondContact O-CB 3.35Å; Y50-L54 PolarHBondContact O-N 2.91Å; Y50-M461 HydrophobicContact CD1-SD 4.32Å; Y50-L465 HydrophobicContact CD2-CD2 4.44Å
51Y72Confident68.6Low12 Ų1267.2 Ų67.25%0.04733%0.327CS..Hα-helixtrans-73.5-29-177.1-75.4-56.4000113.3L6 L38 W41 P48 T49 L54 K55 M461L6-Y51 HydrophobicContact CD2-CE1 3.61Å; L38-Y51 HydrophobicContact CD2-CD2 4.37Å; L38-Y51 HydrophobicContact CD2-CG 4.44Å; W41-Y51 HydrophobicContact CE3-CE2 4.48Å; W41-Y51 HydrophobicContact CH2-CE2 4.19Å; W41-Y51 AromaticContact CZ3-CE2 3.87Å; W41-Y51 HydrophobicContact CZ3-CE2 3.87Å; P48-Y51 HydrophobicContact CB-CD2 3.83Å; P48-Y51 HydrophobicContact CB-CE2 4.49Å; P48-Y51 HydrophobicContact CG-CD2 3.94Å; P48-Y51 HydrophobicContact CG-CE2 4.39Å; P48-Y51 PolarHBondContact O-N 3.08Å; T49-Y51 VanDerWaalsContact C-N 3.35Å; T49-Y51 PolarHBondContact O-N 2.88Å; Y51-L54 HydrophobicContact CD1-CD2 3.9Å; Y51-L54 HydrophobicContact CE1-CD2 4.22Å; Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 3.12Å; Y51-M461 HydrophobicContact CD2-SD 4.12Å; Y51-M461 HydrophobicContact CE1-SD 4.22Å; Y51-M461 HydrophobicContact CE2-CG 3.73Å; Y51-M461 HydrophobicContact CE2-SD 3.17Å; Y51-M461 WeakPolarHBondContact CE2-SD 3.18Å; Y51-M461 PolarHBondContact OH-SD 3.32Å
52R73.7Confident68.8Low132 Ų13268.3 Ų68.350%0.49834%0.339SS..Hα-helixtrans-66.5-41.7171.5-71.7-166.1-157.9103.2-2.7111L47 T49 Y50 K55 A56L47-R52 VanDerWaalsContact CD2-NH2 3.31Å; T49-R52 PolarHBondContact O-N 3.43Å; T49-R52 VanDerWaalsContact O-N 3.13Å; Y50-R52 PolarHBondContact O-N 3.43Å; R52-K55 WeakPolarHBondContact O-CB 3.44Å; R52-K55 PolarHBondContact O-N 3.44Å; R52-A56 PolarHBondContact O-N 2.72Å
53E75Confident69.1Low117 Ų11764.7 Ų64.755%0.54732%0.324SS..Hα-helixtrans-65.5-44.8175.7-70.9178.4-175.700111T49 Y50 K55 A56 H57T49-E53 PolarHBondContact O-N 2.92Å; Y50-E53 PolarHBondContact O-N 3.3Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 3.4Å; E53-A56 CarbonylContact O-C 3.59Å; E53-A56 PolarHBondContact O-N 3.34Å; E53-H57 PolarHBondContact O-N 2.81Å
54L77Confident69.2Low1 Ų163.9 Ų63.91%0.00533%0.328CS..Hα-helixtrans-61.3-34176.5-170.874.6000112.6L6 W30 I34 Y50 Y51 A56 H57 F59L6-L54 WeakPolarHBondContact O-CD2 3.49Å; W30-L54 HydrophobicContact CH2-CD2 4.41Å; W30-L54 HydrophobicContact CZ2-CD2 4.04Å; W30-L54 HydrophobicContact CZ2-CG 3.91Å; W30-L54 PolarHBondContact NE1-O 3.34Å; W30-L54 VanDerWaalsContact NE1-O 3.12Å; I34-L54 HydrophobicContact CD1-CD2 4.18Å; Y50-L54 HydrophobicContact CE1-CD2 4.21Å; Y50-L54 VanDerWaalsContact O-CB 3.29Å; Y50-L54 WeakPolarHBondContact O-CB 3.35Å; Y50-L54 PolarHBondContact O-N 2.91Å; Y51-L54 HydrophobicContact CD1-CD2 3.9Å; Y51-L54 HydrophobicContact CE1-CD2 4.22Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.41Å; L54-H57 CarbonylContact O-C 3.52Å; L54-F59 HydrophobicContact CD1-CD2 3.6Å; L54-F59 HydrophobicContact CD1-CE2 4.22Å
55K84.2Confident69.4Low55 Ų5562.4 Ų62.424%0.23934%0.336CS..Hα-helixtrans-58.9-42.5172.6-168.3179.7-179.5178.30111.4Q27 N31 I34 D35 Y51 R52 E53Q27-K55 PolarHBondContact NE2-O 3.03Å; N31-K55 PolarHBondContact OD1-O 3.2Å; I34-K55 HydrophobicContact CB-CB 4.33Å; I34-K55 HydrophobicContact CB-CG 4.19Å; I34-K55 HydrophobicContact CG1-CB 4.49Å; I34-K55 HydrophobicContact CG2-CB 3.89Å; I34-K55 HydrophobicContact CG2-CD 4.32Å; I34-K55 HydrophobicContact CG2-CG 4.16Å; D35-K55 WeakPolarHBondContact OD1-CE 3.48Å; D35-K55 IonicContact OD1-NZ 2.82Å; D35-K55 PolarHBondContact OD1-NZ 3.46Å; D35-K55 IonicContact OD2-NZ 2.99Å; D35-K55 PolarHBondContact OD2-NZ 2.74Å; Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 3.12Å; R52-K55 WeakPolarHBondContact O-CB 3.44Å; R52-K55 PolarHBondContact O-N 3.44Å; E53-K55 VanDerWaalsContact C-N 3.27Å; E53-K55 PolarHBondContact O-N 3.4Å
56A80.4Confident69.8Low59 Ų5957.2 Ų57.249%0.48832%0.319SS..Hα-helixtrans-80.8-36.7-179.400000112.5R52 E53 L54R52-A56 PolarHBondContact O-N 2.72Å; E53-A56 CarbonylContact O-C 3.59Å; E53-A56 PolarHBondContact O-N 3.34Å; L54-A56 VanDerWaalsContact C-N 3.29Å; L54-A56 PolarHBondContact O-N 3.41Å
57H80.2Confident70Confident131 Ų13156.7 Ų56.761%0.60631%0.313SS*.SBendtrans-133.582.7-173.1-5298.3000110.1E53 L54E53-H57 PolarHBondContact O-N 2.81Å; L54-H57 CarbonylContact O-C 3.52Å
58P79.6Confident70.2Confident10 Ų1055.6 Ų55.67%0.06531%0.309CS..  trans-66.9143.817825.2-31.2000111.3M4 C19 L22 W30M4-P58 HydrophobicContact CE-CB 4.43Å; M4-P58 HydrophobicContact CG-CB 4.33Å; M4-P58 HydrophobicContact SD-CB 4.23Å; C19-P58 HydrophobicContact CB-CB 4.48Å; C19-P58 HydrophobicContact CB-CG 4.14Å; C19-P58 PolarHBondContact N-O 2.8Å; C19-P58 PolarHBondContact SG-O 3.47Å; C19-P58 VanDerWaalsContact SG-O 3.41Å; L22-P58 HydrophobicContact CD1-CG 3.94Å; W30-P58 HydrophobicContact CZ2-CB 3.95Å
59F77.8Confident70.2Confident60 Ų6055.5 Ų55.526%0.26331%0.308SS..EExtended strand (participates in β ladder)trans-95148174.6-67.2-67.1000111.4L5 C8 R17 C19 L54L5-F59 HydrophobicContact CB-CB 4.37Å; L5-F59 PolarHBondContact N-O 2.84Å; C8-F59 HydrophobicContact CB-CD2 4.38Å; C8-F59 HydrophobicContact CB-CG 4.47Å; R17-F59 CarbonylContact O-C 3.49Å; C19-F59 PolarHBondContact SG-O 3.21Å; L54-F59 HydrophobicContact CD1-CD2 3.6Å; L54-F59 HydrophobicContact CD1-CE2 4.22Å
60C77.2Confident69.7Low5 Ų555.9 Ų55.93%0.03430%0.3CS..EExtended strand (participates in β ladder)trans-136.6146.8178.8-82.30000111.7E2 C3 R17 C19E2-C60 HydrophobicContact CB-CB 4.04Å; C3-C60 CarbonylContact O-C 3.6Å; C3-C60 WeakPolarHBondContact O-CA 3.41Å; R17-C60 PolarHBondContact N-O 2.93Å; R17-C60 PolarHBondContact O-N 2.97Å; C19-C60 HydrophobicContact CB-CB 3.94Å; C19-C60 WeakPolarHBondContact CB-SG 3.31Å; C19-C60 WeakPolarHBondContact SG-CB 3.43Å; C19-C60 PolarHBondContact SG-N 3.43Å; C19-C60 CovalentContact SG-SG 2.03Å; C19-C60 PolarHBondContact SG-SG 2.92Å
61C71Confident69.3Low9 Ų957.4 Ų57.46%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-110146.2167.157.50000111.4E2 C3 L5 D15 C89E2-C61 CarbonylContact C-O 3.56Å; E2-C61 VanDerWaalsContact CA-O 3.28Å; E2-C61 WeakPolarHBondContact CA-O 3.43Å; C3-C61 PolarHBondContact N-O 2.84Å; C3-C61 PolarHBondContact O-N 2.03Å; L5-C61 HydrophobicContact CD1-CB 3.97Å; L5-C61 HydrophobicContact CG-CB 4.49Å; D15-C61 WeakPolarHBondContact O-CA 3.38Å; C61-C89 HydrophobicContact CB-CB 4.35Å; C61-C89 WeakPolarHBondContact CB-SG 3.29Å; C61-C89 WeakPolarHBondContact SG-CB 3.42Å; C61-C89 CovalentContact SG-SG 2.08Å; C61-C89 PolarHBondContact SG-SG 3.09Å
62T69.6Low68.4Low72 Ų7257.6 Ų57.644%0.44231%0.312SS..  trans-93.7117.6164.7-550000107.8R17 G64R17-T62 VanDerWaalsContact CZ-OG1 3.3Å; R17-T62 PolarHBondContact NH2-OG1 3.06Å; T62-G64 PolarHBondContact O-N 3.43Å
63P61.4Low67.5Low25 Ų2556 Ų5616%0.16231%0.313CS..  trans-63.5129.417922.5-27.8000110.2M1M1-P63 HydrophobicContact CB-CG 4.45Å; M1-P63 VanDerWaalsContact O-CD 3.3Å; M1-P63 WeakPolarHBondContact O-CD 3.12Å
64G61.8Low66.4Low36 Ų3651.7 Ų51.737%0.37129%0.293SS..  trans-71175.8174.400000113T62 G66 Y67T62-G64 PolarHBondContact O-N 3.43Å; G64-G66 PolarHBondContact O-N 2.08Å; G64-Y67 WeakPolarHBondContact O-CB 3.49Å; G64-Y67 PolarHBondContact O-N 2.88Å
65P62.4Low65.1Low138 Ų13856.4 Ų56.490%0.89632%0.315SS*.THydrogen-bonded Turntrans-57122.1177.8-19.730.8000111.5
66G59.2Low63.3Low45 Ų4560 Ų6046%0.46433%0.333SS..THydrogen-bonded Turntrans83.15.5-177.900000115.5G64 D92G64-G66 PolarHBondContact O-N 2.08Å; G66-D92 PolarHBondContact O-N 3Å
67Y57.8Low61.7Low111 Ų11158.5 Ų58.544%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-103.8148.6172.3-70.8-110.1000110.4G64 A90 K91G64-Y67 WeakPolarHBondContact O-CB 3.49Å; G64-Y67 PolarHBondContact O-N 2.88Å; Y67-A90 CarbonylContact C-O 3.43Å; Y67-A90 VanDerWaalsContact CA-O 3.23Å; Y67-A90 WeakPolarHBondContact CA-O 3.33Å; Y67-K91 HydrophobicContact CD1-CB 4.18Å; Y67-K91 VanDerWaalsContact CD1-N 3.31Å; Y67-K91 HydrophobicContact CE1-CB 3.83Å; Y67-K91 HydrophobicContact CE2-CB 4.25Å; Y67-K91 HydrophobicContact CE2-CG 4.19Å
68S59.7Low60.2Low18 Ų1859.2 Ų59.213%0.12632%0.316CS..EExtended strand (participates in β ladder)trans-137.1156.7176.952.80000111.3R70 A90 D92 P97S68-R70 PolarHBondContact O-N 3.32Å; S68-A90 PolarHBondContact N-O 2.94Å; S68-A90 PolarHBondContact O-N 2.77Å; S68-D92 PolarHBondContact OG-OD1 3Å; S68-P97 WeakPolarHBondContact OG-CB 3.04Å
69C59.6Low58.6Low12 Ų1264.8 Ų64.88%0.08134%0.339CS..EExtended strand (participates in β ladder)trans-71.2127.6176.1-51.70000109.2C3 L87C3-C69 HydrophobicContact CB-CB 3.99Å; C3-C69 WeakPolarHBondContact CB-SG 3.17Å; C3-C69 WeakPolarHBondContact SG-CB 2.94Å; C3-C69 CovalentContact SG-SG 2.03Å; C3-C69 PolarHBondContact SG-SG 3.2Å; C69-L87 HydrophobicContact CB-CD2 3.78Å
70R58.2Low57.1Low92 Ų9266.2 Ų66.235%0.34735%0.346SS..EExtended strand (participates in β ladder)trans-120132.8-178.8-163-179.7-168.4175.95.4111.6S68 L87 T88S68-R70 PolarHBondContact O-N 3.32Å; R70-L87 CarbonylContact O-C 3.41Å; R70-L87 WeakPolarHBondContact O-CA 3.24Å; R70-T88 PolarHBondContact N-O 3.3Å; R70-T88 PolarHBondContact O-N 3.41Å; R70-T88 VanDerWaalsContact O-N 3.11Å
71L56.6Low55.7Low66 Ų6666.9 Ų66.935%0.34635%0.35SS..EExtended strand (participates in β ladder)trans-83.4114.7173.4-165.5149.6000110.5Y85 L87 I98L71-Y85 HydrophobicContact CD1-CD2 3.74Å; L71-Y85 HydrophobicContact CD1-CE2 4.1Å; L71-Y85 HydrophobicContact CD1-CG 4.18Å; L71-Y85 HydrophobicContact CD2-CD2 4.4Å; L71-Y85 HydrophobicContact CD2-CG 4.1Å; L71-Y85 HydrophobicContact CG-CD2 3.95Å; L71-Y85 HydrophobicContact CG-CG 4.15Å; L71-L87 HydrophobicContact CB-CD1 4.27Å; L71-L87 HydrophobicContact CB-CG 4.2Å; L71-L87 HydrophobicContact CD1-CD1 4.03Å; L71-L87 HydrophobicContact CG-CD1 4.14Å; L71-I98 HydrophobicContact CB-CD1 4.02Å
72N55Low54.6Low15 Ų1573.4 Ų73.48%0.0837%0.374CS..EExtended strand (participates in β ladder)trans-112.2119.9177.3-71.9-55.5000108.9I74 Y85 D86 T88 R490N72-I74 PolarHBondContact O-N 2.83Å; N72-Y85 CarbonylContact O-C 3.44Å; N72-Y85 VanDerWaalsContact O-CA 3.27Å; N72-Y85 WeakPolarHBondContact O-CA 3.31Å; N72-D86 PolarHBondContact N-O 3.33Å; N72-D86 PolarHBondContact O-N 2.66Å; N72-T88 PolarHBondContact ND2-OG1 3.27Å; N72-R490 PolarHBondContact OD1-NH2 3.47Å
73L53.4Low53.7Low98 Ų9876.1 Ų76.151%0.51338%0.381SS..EExtended strand (participates in β ladder)trans-63.4125.3172-65165.6000109.3H75 F84L73-H75 PolarHBondContact O-N 3.01Å; L73-F84 CarbonylContact C-O 3.48Å; L73-F84 WeakPolarHBondContact CA-O 3.46Å
74I52.7Low53.6Low27 Ų2775.2 Ų75.214%0.13838%0.375CS..EExtended strand (participates in β ladder)trans-75.7116.5164.2-57.2168.5000104.8L6 N72 E76 F84 D86L6-I74 HydrophobicContact CD1-CD1 3.97Å; L6-I74 HydrophobicContact CD2-CD1 3.91Å; L6-I74 HydrophobicContact CG-CD1 4.46Å; N72-I74 PolarHBondContact O-N 2.83Å; I74-E76 PolarHBondContact O-N 3.41Å; I74-F84 HydrophobicContact CB-CB 4.06Å; I74-F84 HydrophobicContact CD1-CB 4.23Å; I74-F84 PolarHBondContact N-O 3.16Å; I74-D86 HydrophobicContact CD1-CB 3.99Å; I74-D86 HydrophobicContact CG1-CB 3.8Å
75H48.8Very low53.4Low101 Ų10175 Ų7547%0.46836%0.363SS..PPolyproline II helixtrans-53131.4-173-95.5-71000112.8L73L73-H75 PolarHBondContact O-N 3.01Å
76E46.5Very low53.1Low131 Ų13168.7 Ų68.761%0.61232%0.322SS*.  trans19.281.2153.7-62.2-178.2-164.400116.7I74 R78 R82I74-E76 PolarHBondContact O-N 3.41Å; E76-R78 PolarHBondContact O-N 3.01Å; E76-R82 WeakPolarHBondContact CA-O 3.15Å
77P47.7Very low52.9Low27 Ų2766.9 Ų66.918%0.17530%0.302CS..  trans-51.2135.1157.326.9-38.5000109.2K79 P81 F84P77-K79 PolarHBondContact O-N 2.73Å; P77-P81 WeakPolarHBondContact CG-O 3.22Å; P77-F84 HydrophobicContact CB-CD2 4.18Å; P77-F84 HydrophobicContact CB-CE2 4.08Å; P77-F84 HydrophobicContact CG-CD2 3.56Å; P77-F84 HydrophobicContact CG-CE2 3.68Å
78R49.2Very low52.8Low145 Ų14563.6 Ų63.655%0.54729%0.293SS..SBendtrans-61-13.7-177.8-68.2-178.1176.4174.7-2.1113.2E76 E418E76-R78 PolarHBondContact O-N 3.01Å; R78-E418 IonicContact CZ-OE1 2.6Å; R78-E418 IonicContact CZ-OE2 2.78Å; R78-E418 IonicContact NH1-OE1 2.97Å; R78-E418 IonicContact NH2-OE1 2.64Å; R78-E418 PolarHBondContact NH2-OE1 3.29Å; R78-E418 IonicContact NH2-OE2 2.68Å; R78-E418 PolarHBondContact NH2-OE2 3.48Å
79K45.2Very low52.6Low127 Ų12764.4 Ų64.455%0.55230%0.299SS*.SBendtrans-117143.5171.3-71.1-177.5-179.9174.30110.7P77P77-K79 PolarHBondContact O-N 2.73Å
80E46.4Very low52.4Low91 Ų9164.9 Ų64.943%0.42530%0.303SS..SBendtrans-63.3143.7174.2-79.1173.2-171.600111.8R82 K127E80-R82 HydrophobicContact CG-CG 3.96Å; E80-K127 HydrophobicContact CB-CD 4.27Å; E80-K127 WeakPolarHBondContact OE2-CD 3.35Å; E80-K127 IonicContact OE2-NZ 2.65Å; E80-K127 PolarHBondContact OE2-NZ 3.45Å
81P47.6Very low52.1Low18 Ų1866.1 Ų66.112%0.11731%0.311CS..SBendcis-71.5130.61.831.1-42.3000113.6N40 P77 Q83 F84 L125N40-P81 WeakPolarHBondContact ND2-CD 3.46Å; P77-P81 WeakPolarHBondContact CG-O 3.22Å; P81-Q83 PolarHBondContact O-N 2.94Å; P81-F84 HydrophobicContact CG-CZ 4.4Å; P81-L125 HydrophobicContact CB-CB 4.48Å; P81-L125 HydrophobicContact CB-CD2 3.79Å; P81-L125 WeakPolarHBondContact CD-O 3.42Å; P81-L125 HydrophobicContact CG-CB 4.04Å; P81-L125 HydrophobicContact CG-CD2 3.93Å; P81-L125 WeakPolarHBondContact CG-O 3.31Å
82R47.3Very low52Low146 Ų14665.6 Ų65.655%0.55131%0.308SS*.  trans-72.36.8-177.6-68-174.2-172.8-169.71.6114.8E76 E80E76-R82 WeakPolarHBondContact CA-O 3.15Å; E80-R82 HydrophobicContact CG-CG 3.96Å
83Q51.3Low51.6Low129 Ų12969.5 Ų69.560%0.60333%0.33SS*.  trans-132.7104.7-170.5-68179.3-14.600109.4P81 L125P81-Q83 PolarHBondContact O-N 2.94Å; Q83-L125 VanDerWaalsContact O-CD2 3.29Å; Q83-L125 WeakPolarHBondContact O-CD2 3.32Å
84F59.2Low51.4Low7 Ų775.1 Ų75.13%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-110.7155.7160.2-71.7-70.5000108.2Y33 L36 L37 N40 L73 I74 P77 P81Y33-F84 AromaticContact CE2-CD1 3.68Å; Y33-F84 HydrophobicContact CE2-CD1 3.68Å; Y33-F84 HydrophobicContact CE2-CE1 4.14Å; L36-F84 HydrophobicContact CB-CE1 4.37Å; L37-F84 HydrophobicContact CB-CE1 4.34Å; L37-F84 HydrophobicContact CB-CZ 4.49Å; L37-F84 HydrophobicContact CD2-CB 3.93Å; L37-F84 HydrophobicContact CD2-CD1 3.26Å; L37-F84 HydrophobicContact CD2-CD2 3.65Å; L37-F84 HydrophobicContact CD2-CE1 3.53Å; L37-F84 HydrophobicContact CD2-CE2 3.89Å; L37-F84 HydrophobicContact CD2-CG 3.33Å; L37-F84 HydrophobicContact CD2-CZ 3.83Å; L37-F84 HydrophobicContact CG-CD1 3.63Å; L37-F84 HydrophobicContact CG-CE1 3.54Å; L37-F84 HydrophobicContact CG-CG 4.22Å; L37-F84 HydrophobicContact CG-CZ 4.06Å; N40-F84 HydrophobicContact CB-CE2 4.3Å; N40-F84 HydrophobicContact CB-CZ 4.47Å; N40-F84 WeakPolarHBondContact ND2-CZ 3.48Å; L73-F84 CarbonylContact C-O 3.48Å; L73-F84 WeakPolarHBondContact CA-O 3.46Å; I74-F84 HydrophobicContact CB-CB 4.06Å; I74-F84 HydrophobicContact CD1-CB 4.23Å; I74-F84 PolarHBondContact N-O 3.16Å; P77-F84 HydrophobicContact CB-CD2 4.18Å; P77-F84 HydrophobicContact CB-CE2 4.08Å; P77-F84 HydrophobicContact CG-CD2 3.56Å; P77-F84 HydrophobicContact CG-CE2 3.68Å; P81-F84 HydrophobicContact CG-CZ 4.4Å
85Y57.2Low51Low31 Ų3181 Ų8112%0.12238%0.375CS..EExtended strand (participates in β ladder)trans-137.2142.8178.750.7-89.2000111.4Y33 L71 N72 L87 P117Y33-Y85 PolarHBondContact OH-N 3.23Å; Y33-Y85 VanDerWaalsContact OH-N 3.1Å; Y33-Y85 PolarHBondContact OH-O 3.05Å; L71-Y85 HydrophobicContact CD1-CD2 3.74Å; L71-Y85 HydrophobicContact CD1-CE2 4.1Å; L71-Y85 HydrophobicContact CD1-CG 4.18Å; L71-Y85 HydrophobicContact CD2-CD2 4.4Å; L71-Y85 HydrophobicContact CD2-CG 4.1Å; L71-Y85 HydrophobicContact CG-CD2 3.95Å; L71-Y85 HydrophobicContact CG-CG 4.15Å; N72-Y85 CarbonylContact O-C 3.44Å; N72-Y85 VanDerWaalsContact O-CA 3.27Å; N72-Y85 WeakPolarHBondContact O-CA 3.31Å; Y85-L87 HydrophobicContact CD2-CD1 4.35Å; Y85-P117 HydrophobicContact CE2-CG 4.42Å; Y85-P117 WeakPolarHBondContact OH-CB 3.2Å; Y85-P117 WeakPolarHBondContact OH-CG 3.46Å
86D57.1Low50.7Low5 Ų582.7 Ų82.73%0.02739%0.393CS..EExtended strand (participates in β ladder)trans-105.3151.9172.3-173.415.6000108.9L6 N72 I74 T88 T492L6-D86 HydrophobicContact CB-CB 4.39Å; L6-D86 VanDerWaalsContact CB-OD1 3.31Å; L6-D86 WeakPolarHBondContact CB-OD1 3.5Å; L6-D86 PolarHBondContact N-OD1 3.02Å; N72-D86 PolarHBondContact N-O 3.33Å; N72-D86 PolarHBondContact O-N 2.66Å; I74-D86 HydrophobicContact CD1-CB 3.99Å; I74-D86 HydrophobicContact CG1-CB 3.8Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.21Å; D86-T492 WeakPolarHBondContact OD2-CG2 3.49Å
87L55Low50.5Low8 Ų878 Ų784%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-125106.9175.7-105.8124.9000110.1M4 L5 C69 R70 L71 Y85 N115M4-L87 VanDerWaalsContact O-O 3.12Å; L5-L87 WeakPolarHBondContact CD2-O 3.39Å; C69-L87 HydrophobicContact CB-CD2 3.78Å; R70-L87 CarbonylContact O-C 3.41Å; R70-L87 WeakPolarHBondContact O-CA 3.24Å; L71-L87 HydrophobicContact CB-CD1 4.27Å; L71-L87 HydrophobicContact CB-CG 4.2Å; L71-L87 HydrophobicContact CD1-CD1 4.03Å; L71-L87 HydrophobicContact CG-CD1 4.14Å; Y85-L87 HydrophobicContact CD2-CD1 4.35Å; L87-N115 WeakPolarHBondContact CB-ND2 3.31Å; L87-N115 HydrophobicContact CD1-CB 4.07Å
88T55.8Low50.3Low42 Ų4279.3 Ų79.326%0.25838%0.378SS..EExtended strand (participates in β ladder)trans-111.2152-179.258.10000112.1L5 R70 N72 D86L5-T88 HydrophobicContact CD2-CG2 4.23Å; R70-T88 PolarHBondContact N-O 3.3Å; R70-T88 PolarHBondContact O-N 3.41Å; R70-T88 VanDerWaalsContact O-N 3.11Å; N72-T88 PolarHBondContact ND2-OG1 3.27Å; D86-T88 WeakPolarHBondContact OD2-CG2 3.21Å
89C54.3Low50.2Low35 Ų3578.2 Ų78.224%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-75.6115.4171.8-69.50000109.3C3 C61C3-C89 PolarHBondContact SG-SG 3.14Å; C61-C89 HydrophobicContact CB-CB 4.35Å; C61-C89 WeakPolarHBondContact CB-SG 3.29Å; C61-C89 WeakPolarHBondContact SG-CB 3.42Å; C61-C89 CovalentContact SG-SG 2.08Å; C61-C89 PolarHBondContact SG-SG 3.09Å
90A56.1Low50.4Low21 Ų2175.3 Ų75.317%0.17437%0.373CS..EExtended strand (participates in β ladder)trans-130.1153.3179.100000112.1Y67 S68Y67-A90 CarbonylContact C-O 3.43Å; Y67-A90 VanDerWaalsContact CA-O 3.23Å; Y67-A90 WeakPolarHBondContact CA-O 3.33Å; S68-A90 PolarHBondContact N-O 2.94Å; S68-A90 PolarHBondContact O-N 2.77Å
91K52.4Low50.5Low119 Ų11976.5 Ų76.552%0.51738%0.378SS..EExtended strand (participates in β ladder)trans-72144.4178.7-163.9-178.4176-165.60110.7Y67 D93Y67-K91 HydrophobicContact CD1-CB 4.18Å; Y67-K91 VanDerWaalsContact CD1-N 3.31Å; Y67-K91 HydrophobicContact CE1-CB 3.83Å; Y67-K91 HydrophobicContact CE2-CB 4.25Å; Y67-K91 HydrophobicContact CE2-CG 4.19Å; K91-D93 VanDerWaalsContact C-N 3.31Å; K91-D93 PolarHBondContact O-N 3Å
92D53.2Low50.7Low54 Ų5484.7 Ų84.729%0.28942%0.415SS..  trans-67.275.8179-76.25.5000112.5G66 S68 P97 K99G66-D92 PolarHBondContact O-N 3Å; S68-D92 PolarHBondContact OG-OD1 3Å; D92-P97 HydrophobicContact CB-CG 3.77Å; D92-P97 VanDerWaalsContact OD1-CB 3.31Å; D92-P97 WeakPolarHBondContact OD1-CB 3.25Å; D92-P97 WeakPolarHBondContact OD1-CG 3.05Å; D92-K99 WeakPolarHBondContact OD2-CE 3.29Å; D92-K99 IonicContact OD2-NZ 3.13Å; D92-K99 PolarHBondContact OD2-NZ 3.42Å
93D47.3Very low50.7Low98 Ų9885.1 Ų85.152%0.52443%0.428SS..  trans-114.9121.5175.7-67.4-34.3000112K91 F95K91-D93 VanDerWaalsContact C-N 3.31Å; K91-D93 PolarHBondContact O-N 3Å; D93-F95 VanDerWaalsContact C-N 3.26Å; D93-F95 PolarHBondContact O-N 3.34Å
94F50Low50.3Low216 Ų21683.8 Ų83.895%0.94743%0.425SS*.SBendtrans53.9-32.8171-88.4-88.9000121.1
95F42.8Very low49.8Very low150 Ų15092.1 Ų92.166%0.65847%0.47SS*.SBendtrans-96.8131.8171.9-67.6-83.2000108.3D93 P97D93-F95 VanDerWaalsContact C-N 3.26Å; D93-F95 PolarHBondContact O-N 3.34Å; F95-P97 WeakPolarHBondContact O-CD 3.08Å
96T42.5Very low49.5Very low137 Ų13793.7 Ų93.784%0.8448%0.48SS*.  trans-48.6109175.835.40000108.3
97P42.7Very low49.4Very low31 Ų3195.5 Ų95.520%0.20149%0.486CS..  trans-61.6154.6177-0.59.4000108S68 D92 F95 K99S68-P97 WeakPolarHBondContact OG-CB 3.04Å; D92-P97 HydrophobicContact CB-CG 3.77Å; D92-P97 VanDerWaalsContact OD1-CB 3.31Å; D92-P97 WeakPolarHBondContact OD1-CB 3.25Å; D92-P97 WeakPolarHBondContact OD1-CG 3.05Å; F95-P97 WeakPolarHBondContact O-CD 3.08Å; P97-K99 HydrophobicContact CB-CG 4.43Å; P97-K99 HydrophobicContact CG-CG 4.42Å; P97-K99 PolarHBondContact O-N 2.79Å
98I44.4Very low49.4Very low56 Ų5696 Ų9629%0.28749%0.49SS..  trans-66.984.9167.9-68.9168.5000106.6L71 I106L71-I98 HydrophobicContact CB-CD1 4.02Å; I98-I106 HydrophobicContact CB-CG2 4.37Å; I98-I106 HydrophobicContact CG1-CG2 4.45Å; I98-I106 HydrophobicContact CG2-CG2 3.26Å
99K45.8Very low49.4Very low121 Ų12194.1 Ų94.153%0.52648%0.479SS..  trans-76.7138.9170.7-67-168.6179-166.70107.3D92 P97 Q101D92-K99 WeakPolarHBondContact OD2-CE 3.29Å; D92-K99 IonicContact OD2-NZ 3.13Å; D92-K99 PolarHBondContact OD2-NZ 3.42Å; P97-K99 HydrophobicContact CB-CG 4.43Å; P97-K99 HydrophobicContact CG-CG 4.42Å; P97-K99 PolarHBondContact O-N 2.79Å; K99-Q101 PolarHBondContact O-N 3.24Å
100C49.4Very low49.4Very low67 Ų6794.6 Ų94.645%0.45348%0.482SS..  trans-61.686.2171.6-52.30000108.7C108C100-C108 HydrophobicContact CB-CB 4.25Å; C100-C108 WeakPolarHBondContact SG-CB 3.48Å; C100-C108 VanDerWaalsContact SG-SG 3.65Å
101Q48.8Very low49Very low115 Ų115102.9 Ų102.954%0.53752%0.517SS..  trans-75.8124.7165.1-79.1-175.3-24.600106.7K99 D103 N104K99-Q101 PolarHBondContact O-N 3.24Å; Q101-D103 PolarHBondContact O-N 2.82Å; Q101-N104 PolarHBondContact OE1-ND2 3.13Å
102Q52.1Low48.9Very low191 Ų191107 Ų10789%0.89354%0.535SS*.THydrogen-bonded Turntrans-58-22.1-174.7-88.7174.2-30.600113.7
103D46.7Very low48.8Very low155 Ų155108.2 Ų108.283%0.82954%0.539SS*.THydrogen-bonded Turntrans-128.613.9-166.5-70.6-38.7000116Q101Q101-D103 PolarHBondContact O-N 2.82Å
104N44Very low49.5Very low101 Ų101104.5 Ų104.554%0.5452%0.521SS..SBendtrans-117.6142.2166.4-81.4-30.7000108.6Q101 I106Q101-N104 PolarHBondContact OE1-ND2 3.13Å; N104-I106 HydrophobicContact CB-CD1 3.86Å; N104-I106 HydrophobicContact CB-CG1 3.9Å; N104-I106 PolarHBondContact O-N 3.49Å
105D49Very low50.3Low181 Ų18194.7 Ų94.797%0.96848%0.478SS*.  trans-6135.2-179.2-74.9-41.6000114.9R107D105-R107 PolarHBondContact O-N 3.46Å
106I49.7Very low51.7Low64 Ų6487.7 Ų87.733%0.32845%0.448SS..  trans-85.5112.5-177.8-55.5173.6000108I98 N104 C108I98-I106 HydrophobicContact CB-CG2 4.37Å; I98-I106 HydrophobicContact CG1-CG2 4.45Å; I98-I106 HydrophobicContact CG2-CG2 3.26Å; N104-I106 HydrophobicContact CB-CD1 3.86Å; N104-I106 HydrophobicContact CB-CG1 3.9Å; N104-I106 PolarHBondContact O-N 3.49Å; I106-C108 PolarHBondContact O-N 3.29Å
107R55.7Low53.2Low44 Ų4481.4 Ų81.417%0.16641%0.409CS..  trans-55.3107.1179-67.4-179.8174.7-72.2-33.5111.3D105 V116 T118 E121D105-R107 PolarHBondContact O-N 3.46Å; R107-V116 PolarHBondContact NH1-O 3.47Å; R107-T118 PolarHBondContact NH2-OG1 3.42Å; R107-T118 VanDerWaalsContact NH2-OG1 3.13Å; R107-E121 IonicContact CZ-OE1 2.94Å; R107-E121 IonicContact CZ-OE2 2.75Å; R107-E121 VanDerWaalsContact NE-CD 3.33Å; R107-E121 IonicContact NE-OE1 3.78Å; R107-E121 PolarHBondContact NE-OE1 2.84Å; R107-E121 IonicContact NE-OE2 3.78Å; R107-E121 PolarHBondContact NE-OE2 3.43Å; R107-E121 IonicContact NH1-OE2 3.17Å; R107-E121 PolarHBondContact NH1-OE2 3.21Å; R107-E121 IonicContact NH2-OE1 2.71Å; R107-E121 PolarHBondContact NH2-OE1 3.46Å; R107-E121 IonicContact NH2-OE2 2.74Å; R107-E121 PolarHBondContact NH2-OE2 3.1Å
108C55.1Low54.8Low17 Ų1781.7 Ų81.712%0.11541%0.41CS..  trans-130.4146175.858.40000111.5C100 I106 S110 H113C100-C108 HydrophobicContact CB-CB 4.25Å; C100-C108 WeakPolarHBondContact SG-CB 3.48Å; C100-C108 VanDerWaalsContact SG-SG 3.65Å; I106-C108 PolarHBondContact O-N 3.29Å; C108-S110 PolarHBondContact O-N 2.89Å; C108-H113 CarbonylContact O-C 3.6Å
109C54.9Low56.3Low4 Ų481.3 Ų81.33%0.02741%0.413CS..  trans-83.2100.6177.3-91.10000111.5M1 E2 N115M1-C109 WeakPolarHBondContact CA-O 3.41Å; M1-C109 WeakPolarHBondContact CB-O 3.44Å; M1-C109 WeakPolarHBondContact CG-O 3.35Å; E2-C109 WeakPolarHBondContact O-CB 3.27Å; E2-C109 PolarHBondContact O-SG 2.77Å; C109-N115 VanDerWaalsContact SG-CB 3.57Å; C109-N115 PolarHBondContact SG-OD1 3.49Å
110S54.1Low57.5Low44 Ų4482.9 Ų82.931%0.30842%0.422SS..SBendtrans-125.2176.8175.669.10000110.8C108 K112 H113C108-S110 PolarHBondContact O-N 2.89Å; S110-K112 PolarHBondContact O-N 2.76Å; S110-K112 PolarHBondContact OG-N 2.74Å; S110-H113 PolarHBondContact N-O 3.3Å; S110-H113 PolarHBondContact OG-N 3.06Å
111E49.4Very low58.5Low195 Ų19582.2 Ų82.291%0.91141%0.412SS*.SBendtrans-62.4-20.3170.6-68.4-179175.100112.6
112K49.5Very low59.8Low205 Ų20576.7 Ų76.789%0.89139%0.386SS*.SBendtrans-103-18.7-176.4-64.1-172.9179.3-178.90114.2S110S110-K112 PolarHBondContact O-N 2.76Å; S110-K112 PolarHBondContact OG-N 2.74Å
113H51.9Low60.7Low80 Ų8073 Ų7337%0.3737%0.371SS..  trans-146137.4-175.4-165.185.5000110.7C108 S110C108-H113 CarbonylContact O-C 3.6Å; S110-H113 PolarHBondContact N-O 3.3Å; S110-H113 PolarHBondContact OG-N 3.06Å
114C61.3Low61.6Low21 Ų2172.7 Ų72.714%0.14237%0.368CS..  trans-115.8142.5-178.3-172.70000109.1H26 V116H26-C114 VanDerWaalsContact CE1-CB 3.43Å; H26-C114 WeakPolarHBondContact CE1-CB 3.27Å; H26-C114 WeakPolarHBondContact ND1-CB 3.29Å; C114-V116 PolarHBondContact O-N 3.29Å; C114-V116 VanDerWaalsContact O-N 3.12Å
115N66.5Low62.5Low9 Ų968.7 Ų68.75%0.04835%0.347CS..  trans-72.51.4-176.367.4-24.6000114.9M4 L87 C109M4-N115 WeakPolarHBondContact CB-OD1 3.18Å; M4-N115 PolarHBondContact O-ND2 3.13Å; L87-N115 WeakPolarHBondContact CB-ND2 3.31Å; L87-N115 HydrophobicContact CD1-CB 4.07Å; C109-N115 VanDerWaalsContact SG-CB 3.57Å; C109-N115 PolarHBondContact SG-OD1 3.49Å
116V73.4Confident63.3Low4 Ų462.2 Ų62.22%0.02431%0.313CS..SBendtrans-56.9132175.6174.20000109.8M4 H26 N29 W30 R107 C114 T118M4-V116 HydrophobicContact CE-CG2 3.49Å; M4-V116 VanDerWaalsContact CE-CG2 3.49Å; M4-V116 HydrophobicContact SD-CG2 3.87Å; H26-V116 HydrophobicContact CB-CB 4.38Å; H26-V116 HydrophobicContact CB-CG2 4.25Å; H26-V116 WeakPolarHBondContact O-CG1 3.29Å; N29-V116 HydrophobicContact CB-CG1 3.43Å; N29-V116 VanDerWaalsContact CB-CG1 3.43Å; W30-V116 HydrophobicContact CB-CG1 4.25Å; W30-V116 HydrophobicContact CB-CG2 4.42Å; R107-V116 PolarHBondContact NH1-O 3.47Å; C114-V116 PolarHBondContact O-N 3.29Å; C114-V116 VanDerWaalsContact O-N 3.12Å; V116-T118 PolarHBondContact O-N 3.11Å
117P74Confident63.6Low4 Ų464.8 Ų64.83%0.02632%0.322CS..PPolyproline II helixtrans-49.9138.7178.1-25.231.2000111.6N29 Y33 Y85 E121 L122N29-P117 VanDerWaalsContact CB-O 3.25Å; N29-P117 WeakPolarHBondContact CB-O 3.45Å; N29-P117 PolarHBondContact ND2-O 3.06Å; Y33-P117 HydrophobicContact CD1-CG 4.29Å; Y33-P117 HydrophobicContact CD2-CG 3.81Å; Y33-P117 HydrophobicContact CE2-CG 4.24Å; Y33-P117 HydrophobicContact CG-CG 3.86Å; Y85-P117 HydrophobicContact CE2-CG 4.42Å; Y85-P117 WeakPolarHBondContact OH-CB 3.2Å; Y85-P117 WeakPolarHBondContact OH-CG 3.46Å; P117-E121 WeakPolarHBondContact CA-OE2 3.31Å; P117-L122 HydrophobicContact CB-CD1 4.34Å; P117-L122 HydrophobicContact CB-CD2 3.92Å; P117-L122 HydrophobicContact CB-CG 3.84Å; P117-L122 HydrophobicContact CG-CD2 4.38Å
118T74.7Confident63.5Low37 Ų3769.4 Ų69.423%0.22735%0.35CS..PPolyproline II helixtrans-69.2162.2173.750.90000110.6R107 V116 E120 E121 L122R107-T118 PolarHBondContact NH2-OG1 3.42Å; R107-T118 VanDerWaalsContact NH2-OG1 3.13Å; V116-T118 PolarHBondContact O-N 3.11Å; T118-E120 PolarHBondContact O-N 3.36Å; T118-E121 PolarHBondContact N-OE2 2.89Å; T118-E121 PolarHBondContact O-N 3.49Å; T118-E121 VanDerWaalsContact OG1-CD 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.09Å; T118-E121 PolarHBondContact OG1-OE2 3.37Å; T118-L122 WeakPolarHBondContact O-CG 3.38Å; T118-L122 PolarHBondContact O-N 3.27Å
119S76Confident63.3Low48 Ų4871 Ų7134%0.33636%0.362SS..Hα-helixtrans-63.5-33178.6-54.50000111.5N29 L122 M123N29-S119 PolarHBondContact ND2-N 2.02Å; N29-S119 PolarHBondContact ND2-OG 3.11Å; N29-S119 PolarHBondContact OD1-OG 3.37Å; S119-L122 PolarHBondContact O-N 3.03Å; S119-M123 VanDerWaalsContact O-CG 3.24Å; S119-M123 WeakPolarHBondContact O-CG 3.47Å; S119-M123 PolarHBondContact O-N 2.86Å; S119-M123 VanDerWaalsContact O-N 3.1Å
120E71.6Confident63.4Low155 Ų15574 Ų7472%0.72438%0.381SS*.Hα-helixtrans-64.8-45175.2-72.7138.8-150.100112.4T118 L122 M123 L124T118-E120 PolarHBondContact O-N 3.36Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.93Å; E120-M123 WeakPolarHBondContact O-CB 2.74Å; E120-M123 PolarHBondContact O-N 3.42Å; E120-M123 VanDerWaalsContact O-N 3.1Å; E120-L124 PolarHBondContact O-N 2.95Å; E120-L124 VanDerWaalsContact O-N 3.16Å
121E69.9Low63.6Low52 Ų5275 Ų7524%0.24339%0.388CS..Hα-helixtrans-65.8-39.2175.5-71.6167.2157.400112.6R107 P117 T118 M123 L124 L125R107-E121 IonicContact CZ-OE1 2.94Å; R107-E121 IonicContact CZ-OE2 2.75Å; R107-E121 VanDerWaalsContact NE-CD 3.33Å; R107-E121 IonicContact NE-OE1 3.78Å; R107-E121 PolarHBondContact NE-OE1 2.84Å; R107-E121 IonicContact NE-OE2 3.78Å; R107-E121 PolarHBondContact NE-OE2 3.43Å; R107-E121 IonicContact NH1-OE2 3.17Å; R107-E121 PolarHBondContact NH1-OE2 3.21Å; R107-E121 IonicContact NH2-OE1 2.71Å; R107-E121 PolarHBondContact NH2-OE1 3.46Å; R107-E121 IonicContact NH2-OE2 2.74Å; R107-E121 PolarHBondContact NH2-OE2 3.1Å; P117-E121 WeakPolarHBondContact CA-OE2 3.31Å; T118-E121 PolarHBondContact N-OE2 2.89Å; T118-E121 PolarHBondContact O-N 3.49Å; T118-E121 VanDerWaalsContact OG1-CD 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.09Å; T118-E121 PolarHBondContact OG1-OE2 3.37Å; E121-M123 PolarHBondContact O-N 3.16Å; E121-L124 WeakPolarHBondContact O-CA 3.26Å; E121-L124 WeakPolarHBondContact O-CB 3.36Å; E121-L124 PolarHBondContact O-N 3.39Å; E121-L125 WeakPolarHBondContact O-CG 2.94Å; E121-L125 PolarHBondContact O-N 2.97Å
122L75.6Confident64.2Low0 Ų070.9 Ų70.90%037%0.372CS..Hα-helixtrans-61.4-30.6174.6-70.4166000111N29 R32 Y33 L36 P117 T118 S119 E120 L125 V126N29-L122 HydrophobicContact CB-CD1 3.67Å; N29-L122 WeakPolarHBondContact O-CD1 2.99Å; R32-L122 HydrophobicContact CB-CD1 4.12Å; R32-L122 HydrophobicContact CG-CD1 4.27Å; Y33-L122 HydrophobicContact CD2-CD2 4.01Å; Y33-L122 HydrophobicContact CG-CD2 4.38Å; L36-L122 HydrophobicContact CD1-CD2 3.8Å; P117-L122 HydrophobicContact CB-CD1 4.34Å; P117-L122 HydrophobicContact CB-CD2 3.92Å; P117-L122 HydrophobicContact CB-CG 3.84Å; P117-L122 HydrophobicContact CG-CD2 4.38Å; T118-L122 WeakPolarHBondContact O-CG 3.38Å; T118-L122 PolarHBondContact O-N 3.27Å; S119-L122 PolarHBondContact O-N 3.03Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.93Å; L122-L125 HydrophobicContact CD2-CD1 4.31Å; L122-L125 PolarHBondContact O-N 2.86Å; L122-V126 WeakPolarHBondContact O-CG2 3.23Å; L122-V126 PolarHBondContact O-N 2.86Å
123M72Confident65Low114 Ų11467.4 Ų67.456%0.56236%0.363SS*.Hα-helixtrans-69.6-33.7172.7-65.5-72.2-69.500112.1R32 S119 E120 E121 L125 V126R32-M123 PolarHBondContact NH2-SD 3.35Å; R32-M123 VanDerWaalsContact NH2-SD 3.43Å; S119-M123 VanDerWaalsContact O-CG 3.24Å; S119-M123 WeakPolarHBondContact O-CG 3.47Å; S119-M123 PolarHBondContact O-N 2.86Å; S119-M123 VanDerWaalsContact O-N 3.1Å; E120-M123 WeakPolarHBondContact O-CB 2.74Å; E120-M123 PolarHBondContact O-N 3.42Å; E120-M123 VanDerWaalsContact O-N 3.1Å; E121-M123 PolarHBondContact O-N 3.16Å; M123-L125 VanDerWaalsContact C-N 3.28Å; M123-L125 PolarHBondContact O-N 2.98Å; M123-V126 PolarHBondContact O-N 3.48Å; M123-V126 VanDerWaalsContact O-O 3.05Å
124L66.1Low66Low148 Ų14871 Ų7178%0.77537%0.374SS*.Hα-helixtrans-68-30.3172.7-61.2175.2000112.2E120 E121E120-L124 PolarHBondContact O-N 2.95Å; E120-L124 VanDerWaalsContact O-N 3.16Å; E121-L124 WeakPolarHBondContact O-CA 3.26Å; E121-L124 WeakPolarHBondContact O-CB 3.36Å; E121-L124 PolarHBondContact O-N 3.39Å
125L63.1Low66.7Low17 Ų1775.6 Ų75.69%0.08940%0.397CS..Hα-helixtrans-79.1-28.3173.9-64.9175.3000112.3Y33 L36 P81 Q83 E121 L122 M123 K127Y33-L125 HydrophobicContact CD2-CD1 4.1Å; Y33-L125 HydrophobicContact CE2-CD1 4.04Å; L36-L125 HydrophobicContact CD1-CB 3.93Å; P81-L125 HydrophobicContact CB-CB 4.48Å; P81-L125 HydrophobicContact CB-CD2 3.79Å; P81-L125 WeakPolarHBondContact CD-O 3.42Å; P81-L125 HydrophobicContact CG-CB 4.04Å; P81-L125 HydrophobicContact CG-CD2 3.93Å; P81-L125 WeakPolarHBondContact CG-O 3.31Å; Q83-L125 VanDerWaalsContact O-CD2 3.29Å; Q83-L125 WeakPolarHBondContact O-CD2 3.32Å; E121-L125 WeakPolarHBondContact O-CG 2.94Å; E121-L125 PolarHBondContact O-N 2.97Å; L122-L125 HydrophobicContact CD2-CD1 4.31Å; L122-L125 PolarHBondContact O-N 2.86Å; M123-L125 VanDerWaalsContact C-N 3.28Å; M123-L125 PolarHBondContact O-N 2.98Å; L125-K127 PolarHBondContact O-N 3.27Å; L125-K127 VanDerWaalsContact O-N 3.09Å
126V64.5Low67.5Low44 Ų4479.2 Ų79.227%0.26742%0.419SS..SBendtrans-80.293.3174.4-177.10000107.7L36 L122 M123 D128L36-V126 HydrophobicContact CD1-CG2 3.82Å; L36-V126 HydrophobicContact CD2-CB 4.34Å; L36-V126 HydrophobicContact CD2-CG2 3.55Å; L36-V126 HydrophobicContact CG-CG2 4.21Å; L122-V126 WeakPolarHBondContact O-CG2 3.23Å; L122-V126 PolarHBondContact O-N 2.86Å; M123-V126 PolarHBondContact O-N 3.48Å; M123-V126 VanDerWaalsContact O-O 3.05Å; V126-D128 PolarHBondContact O-N 3.24Å
127K55.8Low68.1Low118 Ų11881 Ų8151%0.51343%0.434SS..  trans-67.3125.4167-169.8174.8-177.6174.60108.4E80 L125 S129E80-K127 HydrophobicContact CB-CD 4.27Å; E80-K127 WeakPolarHBondContact OE2-CD 3.35Å; E80-K127 IonicContact OE2-NZ 2.65Å; E80-K127 PolarHBondContact OE2-NZ 3.45Å; L125-K127 PolarHBondContact O-N 3.27Å; L125-K127 VanDerWaalsContact O-N 3.09Å; K127-S129 PolarHBondContact O-N 3.33Å
128D55Low68.7Low142 Ų14285.7 Ų85.776%0.75946%0.458SS*.  trans-54.1114.9165.6-73.1-33.5000107.4V126 P130V126-D128 PolarHBondContact O-N 3.24Å; D128-P130 WeakPolarHBondContact O-CD 3.29Å
129S51.1Low69.3Low51 Ų5186.6 Ų86.636%0.35747%0.466SS..  trans-62.8125.8-173.194.80000107.8K127 S131 D132K127-S129 PolarHBondContact O-N 3.33Å; S129-S131 WeakPolarHBondContact CB-OG 3.37Å; S129-S131 PolarHBondContact O-N 2.96Å; S129-S131 VanDerWaalsContact OG-CB 3.25Å; S129-S131 WeakPolarHBondContact OG-CB 3.36Å; S129-S131 PolarHBondContact OG-OG 3.23Å; S129-D132 PolarHBondContact O-N 3.49Å; S129-D132 VanDerWaalsContact O-N 3.16Å
130P55.3Low70.2Confident66 Ų6689.5 Ų89.543%0.42948%0.477SS..Hα-helixtrans-62.4-10.5178.124-32000112D128 D132 L133 Y134D128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-D132 PolarHBondContact O-N 2.98Å; P130-L133 WeakPolarHBondContact O-CA 3.44Å; P130-L133 WeakPolarHBondContact O-CB 3.32Å; P130-L133 PolarHBondContact O-N 3.3Å; P130-Y134 HydrophobicContact CB-CD2 4.35Å; P130-Y134 HydrophobicContact CB-CE2 4.14Å; P130-Y134 WeakPolarHBondContact O-CD2 3.45Å; P130-Y134 PolarHBondContact O-N 3.25Å
131S58.9Low71.3Confident66 Ų6687.4 Ų87.446%0.46247%0.47SS..Hα-helixtrans-49-38.7170.2-18.60000112.6S129 Y134 L135S129-S131 WeakPolarHBondContact CB-OG 3.37Å; S129-S131 PolarHBondContact O-N 2.96Å; S129-S131 VanDerWaalsContact OG-CB 3.25Å; S129-S131 WeakPolarHBondContact OG-CB 3.36Å; S129-S131 PolarHBondContact OG-OG 3.23Å; S131-Y134 PolarHBondContact O-N 2.94Å; S131-L135 PolarHBondContact O-N 3.46Å
132D62.9Low72.5Confident108 Ų10888.5 Ų88.558%0.57848%0.48SS*.Hα-helixtrans-68.5-38.7179-66.8-22.6000111S129 P130 L135 V136S129-D132 PolarHBondContact O-N 3.49Å; S129-D132 VanDerWaalsContact O-N 3.16Å; P130-D132 PolarHBondContact O-N 2.98Å; D132-L135 PolarHBondContact O-N 3.46Å; D132-V136 WeakPolarHBondContact O-CG2 3.41Å; D132-V136 PolarHBondContact O-N 3.45Å
133L65.5Low73.4Confident131 Ų13192.8 Ų92.869%0.68650%0.503SS*.Hα-helixtrans-67.8-38.3175.1-16374.5000111.6P130 V136 A137P130-L133 WeakPolarHBondContact O-CA 3.44Å; P130-L133 WeakPolarHBondContact O-CB 3.32Å; P130-L133 PolarHBondContact O-N 3.3Å; L133-V136 PolarHBondContact O-N 3.33Å; L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å
134Y73.9Confident74.6Confident157 Ų15792 Ų9262%0.61650%0.5SS*.Hα-helixtrans-63.2-41.5172.4-77-71.9000111.5P130 S131 V136 A137 I138P130-Y134 HydrophobicContact CB-CD2 4.35Å; P130-Y134 HydrophobicContact CB-CE2 4.14Å; P130-Y134 WeakPolarHBondContact O-CD2 3.45Å; P130-Y134 PolarHBondContact O-N 3.25Å; S131-Y134 PolarHBondContact O-N 2.94Å; Y134-V136 VanDerWaalsContact C-N 3.33Å; Y134-V136 PolarHBondContact O-N 2.88Å; Y134-A137 PolarHBondContact O-N 2.89Å; Y134-I138 WeakPolarHBondContact O-CB 3.45Å; Y134-I138 WeakPolarHBondContact O-CD1 3.34Å; Y134-I138 WeakPolarHBondContact O-CG1 3.12Å; Y134-I138 PolarHBondContact O-N 3.27Å
135L75.7Confident76Confident117 Ų11788 Ų8861%0.61348%0.484SS*.Hα-helixtrans-63.4-41.4177.9-133.294.5000111.5S131 D132 S139S131-L135 PolarHBondContact O-N 3.46Å; D132-L135 PolarHBondContact O-N 3.46Å; L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.48Å; L135-S139 PolarHBondContact O-OG 2.9Å
136V83.4Confident77.5Confident84 Ų8492.1 Ų92.151%0.50951%0.505SS..Hα-helixtrans-64.3-46.3174.2173.20000110.6D132 L133 Y134 I138 S139 L140D132-V136 WeakPolarHBondContact O-CG2 3.41Å; D132-V136 PolarHBondContact O-N 3.45Å; L133-V136 PolarHBondContact O-N 3.33Å; Y134-V136 VanDerWaalsContact C-N 3.33Å; Y134-V136 PolarHBondContact O-N 2.88Å; V136-I138 PolarHBondContact O-N 2.9Å; V136-S139 PolarHBondContact O-N 2.8Å; V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.44Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.45Å; V136-L140 PolarHBondContact O-N 3.33Å
137A84.7Confident79Confident43 Ų4394.2 Ų94.236%0.35551%0.514SS..Hα-helixtrans-62.1-44.2178.200000112.2L133 Y134 S139 L140 L141L133-A137 WeakPolarHBondContact O-CB 3.49Å; L133-A137 PolarHBondContact O-N 3.11Å; Y134-A137 PolarHBondContact O-N 2.89Å; A137-S139 VanDerWaalsContact C-N 3.34Å; A137-L140 PolarHBondContact O-N 2.91Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CD1 3.4Å; A137-L141 PolarHBondContact O-N 3.29Å
138I87Confident80.9Confident102 Ų10293.7 Ų93.752%0.52352%0.516SS..Hα-helixtrans-61.7-44.4175.1-69.2164.7000110Y134 V136 L140 L141 T142Y134-I138 WeakPolarHBondContact O-CB 3.45Å; Y134-I138 WeakPolarHBondContact O-CD1 3.34Å; Y134-I138 WeakPolarHBondContact O-CG1 3.12Å; Y134-I138 PolarHBondContact O-N 3.27Å; V136-I138 PolarHBondContact O-N 2.9Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 2.64Å; I138-L141 PolarHBondContact O-N 3.42Å; I138-T142 HydrophobicContact CG2-CG2 4.43Å; I138-T142 WeakPolarHBondContact O-CG2 3.44Å; I138-T142 PolarHBondContact O-N 3.23Å; I138-T142 PolarHBondContact O-OG1 2.9Å
139S88.3Confident82.8Confident56 Ų5694.6 Ų94.639%0.39251%0.513SS..Hα-helixtrans-63.8-37.6178.2-59.90000112.5L135 V136 A137 T142 I143L135-S139 VanDerWaalsContact O-CB 3.29Å; L135-S139 WeakPolarHBondContact O-CB 3.36Å; L135-S139 PolarHBondContact O-N 3.48Å; L135-S139 PolarHBondContact O-OG 2.9Å; V136-S139 PolarHBondContact O-N 2.8Å; A137-S139 VanDerWaalsContact C-N 3.34Å; S139-T142 WeakPolarHBondContact CA-OG1 3Å; S139-T142 PolarHBondContact O-OG1 3.28Å; S139-I143 WeakPolarHBondContact O-CD1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.41Å; S139-I143 PolarHBondContact O-N 2.85Å; S139-I143 VanDerWaalsContact O-N 3.11Å
140L94.3Very high84.9Confident109 Ų10997.1 Ų97.157%0.57152%0.522SS*.Hα-helixtrans-69-39.5174.9-70.2172.3000111.8V136 A137 I138 I143 L144V136-L140 HydrophobicContact CG1-CD1 4.02Å; V136-L140 HydrophobicContact CG1-CG 4.44Å; V136-L140 VanDerWaalsContact O-CG 3.31Å; V136-L140 WeakPolarHBondContact O-CG 3.45Å; V136-L140 PolarHBondContact O-N 3.33Å; A137-L140 PolarHBondContact O-N 2.91Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-L140 PolarHBondContact O-N 2.64Å; L140-I143 PolarHBondContact O-N 3.06Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 PolarHBondContact O-N 2.75Å
141L94.9Very high86.8Confident111 Ų11197.1 Ų97.158%0.58152%0.52SS*.Hα-helixtrans-64.2-41.8175.1-104124000112.1A137 I138 L144 C145A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 WeakPolarHBondContact O-CD1 3.4Å; A137-L141 PolarHBondContact O-N 3.29Å; I138-L141 PolarHBondContact O-N 3.42Å; L141-L144 PolarHBondContact O-N 3.32Å; L141-C145 PolarHBondContact O-N 3.09Å; L141-C145 PolarHBondContact O-SG 3.13Å
142T93.7Very high88.3Confident74 Ų7496.9 Ų96.945%0.45452%0.519SS..Hα-helixtrans-66.3-40.9177.554.60000111.6I138 S139 L144 C145 I146I138-T142 HydrophobicContact CG2-CG2 4.43Å; I138-T142 WeakPolarHBondContact O-CG2 3.44Å; I138-T142 PolarHBondContact O-N 3.23Å; I138-T142 PolarHBondContact O-OG1 2.9Å; S139-T142 WeakPolarHBondContact CA-OG1 3Å; S139-T142 PolarHBondContact O-OG1 3.28Å; T142-L144 PolarHBondContact O-N 3.48Å; T142-C145 PolarHBondContact O-N 3.49Å; T142-I146 VanDerWaalsContact O-CG1 3.29Å; T142-I146 WeakPolarHBondContact O-CG1 3.38Å; T142-I146 PolarHBondContact O-N 3.04Å
143I95.9Very high89.8Confident91 Ų9193.6 Ų93.647%0.46751%0.51SS..Hα-helixtrans-60.6-44.9173.5-68.8165.7000110.8S139 L140 C145 I146 I147S139-I143 WeakPolarHBondContact O-CD1 3.24Å; S139-I143 WeakPolarHBondContact O-CG1 3.41Å; S139-I143 PolarHBondContact O-N 2.85Å; S139-I143 VanDerWaalsContact O-N 3.11Å; L140-I143 PolarHBondContact O-N 3.06Å; I143-C145 PolarHBondContact O-N 3.4Å; I143-I146 PolarHBondContact O-N 3.33Å; I143-I147 HydrophobicContact CG2-CD1 3.91Å; I143-I147 WeakPolarHBondContact O-CG1 3.17Å; I143-I147 PolarHBondContact O-N 2.79Å
144L96Very high91Very high98 Ų9890.7 Ų90.751%0.51350%0.498SS..Hα-helixtrans-60.4-44.5177-176.867.2000111.6L140 L141 T142 I146 I147 L148L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 PolarHBondContact O-N 2.75Å; L141-L144 PolarHBondContact O-N 3.32Å; T142-L144 PolarHBondContact O-N 3.48Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.26Å; L144-I147 PolarHBondContact O-N 3.41Å; L144-L148 HydrophobicContact CG-CD1 4.28Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.07Å
145C95.6Very high91.9Very high64 Ų6488.3 Ų88.343%0.43250%0.495SS..Hα-helixtrans-59.8-42.7175.6-730000112L141 T142 I143 L148 F149L141-C145 PolarHBondContact O-N 3.09Å; L141-C145 PolarHBondContact O-SG 3.13Å; T142-C145 PolarHBondContact O-N 3.49Å; I143-C145 PolarHBondContact O-N 3.4Å; C145-L148 PolarHBondContact O-N 3.3Å; C145-F149 WeakPolarHBondContact O-CD2 3.33Å; C145-F149 PolarHBondContact O-N 3.39Å
146I96.1Very high92.6Very high103 Ų10389 Ų8953%0.52849%0.491SS..Hα-helixtrans-62.6-44.3177-68.2164.2000110.7T142 I143 L144 L148 F149 I150T142-I146 VanDerWaalsContact O-CG1 3.29Å; T142-I146 WeakPolarHBondContact O-CG1 3.38Å; T142-I146 PolarHBondContact O-N 3.04Å; I143-I146 PolarHBondContact O-N 3.33Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.26Å; I146-L148 PolarHBondContact O-N 3.28Å; I146-F149 PolarHBondContact O-N 3.02Å; I146-I150 HydrophobicContact CG2-CD1 3.93Å; I146-I150 WeakPolarHBondContact O-CG1 3.24Å; I146-I150 PolarHBondContact O-N 3.18Å
147I96Very high92.8Very high88 Ų8891.5 Ų91.545%0.45150%0.495SS..Hα-helixtrans-61-45.8177.2-67.6167.2000110.6I143 L144 F149 I150 V151I143-I147 HydrophobicContact CG2-CD1 3.91Å; I143-I147 WeakPolarHBondContact O-CG1 3.17Å; I143-I147 PolarHBondContact O-N 2.79Å; L144-I147 PolarHBondContact O-N 3.41Å; I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 PolarHBondContact O-N 3.15Å; I147-I150 PolarHBondContact O-N 3.43Å; I147-I150 VanDerWaalsContact O-N 3.16Å; I147-V151 HydrophobicContact CG2-CG2 4.28Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 3.34Å
148L95.4Very high93Very high106 Ų10694.5 Ų94.556%0.55551%0.505SS*.Hα-helixtrans-62.4-36.4177.8-71172.7000112.4L144 C145 I146 S152L144-L148 HydrophobicContact CG-CD1 4.28Å; L144-L148 WeakPolarHBondContact O-CG 3.48Å; L144-L148 PolarHBondContact O-N 3.07Å; C145-L148 PolarHBondContact O-N 3.3Å; I146-L148 PolarHBondContact O-N 3.28Å; L148-S152 WeakPolarHBondContact O-CB 2.97Å; L148-S152 PolarHBondContact O-N 3.15Å; L148-S152 PolarHBondContact O-OG 3.05Å
149F94.9Very high92.8Very high161 Ų16197.9 Ų97.971%0.70651%0.511SS*.Hα-helixtrans-66.1-39.7173.2-100.3-77.9000112.8C145 I146 I147 S152 G153C145-F149 WeakPolarHBondContact O-CD2 3.33Å; C145-F149 PolarHBondContact O-N 3.39Å; I146-F149 PolarHBondContact O-N 3.02Å; I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 PolarHBondContact O-N 3.15Å; F149-S152 PolarHBondContact O-OG 3.02Å; F149-S152 VanDerWaalsContact O-OG 3.04Å; F149-G153 PolarHBondContact O-N 3.15Å
150I95.3Very high92.6Very high104 Ų104101.8 Ų101.853%0.53352%0.517SS..Hα-helixtrans-68.5-42.4176.3-66.2167.2000110.4I146 I147 G153 T154I146-I150 HydrophobicContact CG2-CD1 3.93Å; I146-I150 WeakPolarHBondContact O-CG1 3.24Å; I146-I150 PolarHBondContact O-N 3.18Å; I147-I150 PolarHBondContact O-N 3.43Å; I147-I150 VanDerWaalsContact O-N 3.16Å; I150-G153 PolarHBondContact O-N 3.49Å; I150-T154 HydrophobicContact CG2-CG2 4.4Å; I150-T154 WeakPolarHBondContact O-CB 3.47Å; I150-T154 VanDerWaalsContact O-CG2 3.31Å; I150-T154 WeakPolarHBondContact O-CG2 3.4Å; I150-T154 PolarHBondContact O-N 2.84Å; I150-T154 PolarHBondContact O-OG1 2.96Å
151V94.8Very high92Very high66 Ų66103.9 Ų103.940%0.452%0.517SS..Hα-helixtrans-64.5-44.1177.11730000110.8I147 T154 L155I147-V151 HydrophobicContact CG2-CG2 4.28Å; I147-V151 WeakPolarHBondContact O-CG2 3.38Å; I147-V151 PolarHBondContact O-N 3.34Å; V151-T154 WeakPolarHBondContact CA-OG1 3.46Å; V151-T154 PolarHBondContact O-N 3.38Å; V151-T154 PolarHBondContact O-OG1 3.42Å; V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.44Å; V151-L155 VanDerWaalsContact O-CG 3.23Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.44Å
152S91.1Very high91.2Very high62 Ų62106.1 Ų106.143%0.43452%0.522SS..Hα-helixtrans-66.3-40.717770.90000111.9L148 F149 L155 Y156L148-S152 WeakPolarHBondContact O-CB 2.97Å; L148-S152 PolarHBondContact O-N 3.15Å; L148-S152 PolarHBondContact O-OG 3.05Å; F149-S152 PolarHBondContact O-OG 3.02Å; F149-S152 VanDerWaalsContact O-OG 3.04Å; S152-L155 PolarHBondContact O-N 2.87Å; S152-Y156 VanDerWaalsContact O-CB 3.25Å; S152-Y156 WeakPolarHBondContact O-CB 3.23Å; S152-Y156 PolarHBondContact O-N 2.85Å
153G92.7Very high90.3Very high38 Ų38104.5 Ų104.539%0.39251%0.514SS..Hα-helixtrans-63.3-42175.400000113F149 I150 Y156 F157F149-G153 PolarHBondContact O-N 3.15Å; I150-G153 PolarHBondContact O-N 3.49Å; G153-Y156 PolarHBondContact O-N 3.49Å; G153-F157 WeakPolarHBondContact O-CB 3.32Å; G153-F157 PolarHBondContact O-N 3.48Å
154T91.8Very high89.3Confident71 Ų71104.3 Ų104.344%0.43651%0.514SS..Hα-helixtrans-69.6-42176.150.10000112I150 V151 Y156 F157 L158I150-T154 HydrophobicContact CG2-CG2 4.4Å; I150-T154 WeakPolarHBondContact O-CB 3.47Å; I150-T154 VanDerWaalsContact O-CG2 3.31Å; I150-T154 WeakPolarHBondContact O-CG2 3.4Å; I150-T154 PolarHBondContact O-N 2.84Å; I150-T154 PolarHBondContact O-OG1 2.96Å; V151-T154 WeakPolarHBondContact CA-OG1 3.46Å; V151-T154 PolarHBondContact O-N 3.38Å; V151-T154 PolarHBondContact O-OG1 3.42Å; T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 PolarHBondContact O-N 2.84Å; T154-F157 PolarHBondContact O-N 3.43Å; T154-L158 WeakPolarHBondContact O-CB 3.38Å; T154-L158 VanDerWaalsContact O-CG 3.26Å; T154-L158 WeakPolarHBondContact O-CG 3.25Å; T154-L158 PolarHBondContact O-N 3.5Å
155L92Very high88.2Confident107 Ų107107.6 Ų107.656%0.5652%0.52SS*.Hα-helixtrans-61.2-43173.2-74.7172.2000111.7V151 S152 F157 L158 W159V151-L155 HydrophobicContact CG1-CD1 3.86Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.44Å; V151-L155 VanDerWaalsContact O-CG 3.23Å; V151-L155 WeakPolarHBondContact O-CG 3.36Å; V151-L155 PolarHBondContact O-N 3.44Å; S152-L155 PolarHBondContact O-N 2.87Å; L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.38Å; L155-L158 PolarHBondContact O-N 3.44Å; L155-W159 VanDerWaalsContact O-CB 3.26Å; L155-W159 WeakPolarHBondContact O-CB 3.34Å; L155-W159 PolarHBondContact O-N 3.24Å
156Y90.3Very high86.6Confident131 Ų131111.2 Ų111.251%0.51453%0.53SS..Hα-helixtrans-61.4-43.5174.7177.4-99.5000111.5S152 G153 T154 W159 R160S152-Y156 VanDerWaalsContact O-CB 3.25Å; S152-Y156 WeakPolarHBondContact O-CB 3.23Å; S152-Y156 PolarHBondContact O-N 2.85Å; G153-Y156 PolarHBondContact O-N 3.49Å; T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 PolarHBondContact O-N 2.84Å; Y156-W159 HydrophobicContact CD2-CE3 4.41Å; Y156-W159 HydrophobicContact CE2-CE3 4.4Å; Y156-W159 HydrophobicContact CE2-CZ3 4.4Å; Y156-W159 PolarHBondContact O-N 2.92Å; Y156-R160 WeakPolarHBondContact O-CB 3.36Å; Y156-R160 PolarHBondContact O-N 2.91Å
157F88Confident85Confident136 Ų136113.4 Ų113.460%0.59654%0.536SS*.Hα-helixtrans-65.2-42.2177.3-167.5-94.4000112.4G153 T154 L155 R160 R161G153-F157 WeakPolarHBondContact O-CB 3.32Å; G153-F157 PolarHBondContact O-N 3.48Å; T154-F157 PolarHBondContact O-N 3.43Å; L155-F157 VanDerWaalsContact C-N 3.35Å; L155-F157 PolarHBondContact O-N 3.38Å; F157-R160 PolarHBondContact O-N 3.04Å; F157-R161 WeakPolarHBondContact O-CB 3.48Å; F157-R161 PolarHBondContact O-N 2.97Å
158L88.2Confident83.2Confident107 Ų107116.6 Ų116.656%0.5655%0.549SS*.Hα-helixtrans-64.7-41175.1-71.2174.1000111.9T154 L155 R161 K162T154-L158 WeakPolarHBondContact O-CB 3.38Å; T154-L158 VanDerWaalsContact O-CG 3.26Å; T154-L158 WeakPolarHBondContact O-CG 3.25Å; T154-L158 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 3.44Å; L158-R161 PolarHBondContact O-N 2.88Å; L158-K162 PolarHBondContact O-N 2.94Å
159W84.3Confident81.4Confident172 Ų172117.4 Ų117.465%0.65255%0.553SS**Hα-helixtrans-63.6-46.2175.9-179.574.8000111.4L155 Y156 R161 K162 S163L155-W159 VanDerWaalsContact O-CB 3.26Å; L155-W159 WeakPolarHBondContact O-CB 3.34Å; L155-W159 PolarHBondContact O-N 3.24Å; Y156-W159 HydrophobicContact CD2-CE3 4.41Å; Y156-W159 HydrophobicContact CE2-CE3 4.4Å; Y156-W159 HydrophobicContact CE2-CZ3 4.4Å; Y156-W159 PolarHBondContact O-N 2.92Å; W159-R161 VanDerWaalsContact C-N 3.34Å; W159-R161 PolarHBondContact O-N 3.3Å; W159-K162 WeakPolarHBondContact O-CB 3.48Å; W159-K162 PolarHBondContact O-N 3Å; W159-K162 VanDerWaalsContact O-N 3.15Å; W159-S163 PolarHBondContact O-N 3.13Å
160R83.2Confident79.4Confident139 Ų139114.4 Ų114.453%0.52555%0.552SS.*Hα-helixtrans-59.1-44.8175.7-172.1171.2177.4168.6-1.8111.6Y156 F157 K162 S163 D164Y156-R160 WeakPolarHBondContact O-CB 3.36Å; Y156-R160 PolarHBondContact O-N 2.91Å; F157-R160 PolarHBondContact O-N 3.04Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.33Å; R160-S163 WeakPolarHBondContact O-CB 3.45Å; R160-S163 PolarHBondContact O-N 3.2Å; R160-S163 VanDerWaalsContact O-N 3.15Å; R160-D164 PolarHBondContact O-N 2.87Å
161R81Confident77.4Confident153 Ų153114.3 Ų114.358%0.57756%0.56SS**Hα-helixtrans-63.2-32.6177.2-164.3175.5178.5168.60.2113.1F157 L158 W159 R165F157-R161 WeakPolarHBondContact O-CB 3.48Å; F157-R161 PolarHBondContact O-N 2.97Å; L158-R161 PolarHBondContact O-N 2.88Å; W159-R161 VanDerWaalsContact C-N 3.34Å; W159-R161 PolarHBondContact O-N 3.3Å; R161-R165 PolarHBondContact O-N 2.98Å
162K79.3Confident75.2Confident157 Ų157119 Ų11968%0.68358%0.578SS**Hα-helixtrans-69.9-42.9172-102.8-174.8176.3-179.20112.1L158 W159 R160 D164 R165 Q166L158-K162 PolarHBondContact O-N 2.94Å; W159-K162 WeakPolarHBondContact O-CB 3.48Å; W159-K162 PolarHBondContact O-N 3Å; W159-K162 VanDerWaalsContact O-N 3.15Å; R160-K162 VanDerWaalsContact C-N 3.3Å; R160-K162 PolarHBondContact O-N 3.33Å; K162-D164 VanDerWaalsContact C-N 3.32Å; K162-D164 PolarHBondContact O-N 2.92Å; K162-R165 PolarHBondContact O-N 3.37Å; K162-Q166 PolarHBondContact O-N 2.9Å; K162-Q166 VanDerWaalsContact O-N 3.12Å
163S73.9Confident72.8Confident40 Ų40123.3 Ų123.328%0.2860%0.596SS.*Hα-helixtrans-60.5-41.9178.3-170.50000111.8W159 R160 R165 Q166 K167W159-S163 PolarHBondContact O-N 3.13Å; R160-S163 WeakPolarHBondContact O-CB 3.45Å; R160-S163 PolarHBondContact O-N 3.2Å; R160-S163 VanDerWaalsContact O-N 3.15Å; S163-R165 VanDerWaalsContact C-N 3.32Å; S163-R165 PolarHBondContact O-N 2.71Å; S163-Q166 PolarHBondContact O-N 2.96Å; S163-K167 PolarHBondContact O-N 3.01Å; S163-K167 VanDerWaalsContact O-N 3.16Å
164D76.6Confident70.1Confident88 Ų88125 Ų12547%0.47161%0.614SS.*Hα-helixtrans-64.6-34.3176.8-68.1-26.6000112.3R160 K162 Q168R160-D164 PolarHBondContact O-N 2.87Å; K162-D164 VanDerWaalsContact C-N 3.32Å; K162-D164 PolarHBondContact O-N 2.92Å; D164-Q168 PolarHBondContact O-N 3.41Å
165R71.4Confident67.2Low167 Ų167128.9 Ų128.963%0.6363%0.63SS**Hα-helixtrans-68.2-36.9173.2-77.4-171.5-177.7-162.90.6113R161 K162 S163 Q168 I169R161-R165 PolarHBondContact O-N 2.98Å; K162-R165 PolarHBondContact O-N 3.37Å; S163-R165 VanDerWaalsContact C-N 3.32Å; S163-R165 PolarHBondContact O-N 2.71Å; R165-Q168 PolarHBondContact O-N 3.26Å; R165-I169 PolarHBondContact O-N 3.08Å
166Q63.5Low64.3Low140 Ų140129.8 Ų129.865%0.65464%0.64SS**Hα-helixtrans-67.9-36.8178.3-103.1172.7-26.200112.2K162 S163 Q168 I169 S170K162-Q166 PolarHBondContact O-N 2.9Å; K162-Q166 VanDerWaalsContact O-N 3.12Å; S163-Q166 PolarHBondContact O-N 2.96Å; Q166-Q168 VanDerWaalsContact C-N 3.29Å; Q166-Q168 PolarHBondContact O-N 3.45Å; Q166-I169 PolarHBondContact O-N 3.03Å; Q166-S170 PolarHBondContact O-N 3.1Å; Q166-S170 PolarHBondContact O-OG 2.86Å
167K61.7Low61.5Low149 Ų149129.4 Ų129.465%0.64866%0.657SS**Hα-helixtrans-62.7-33.4175.7-75.9-178.5179.4176.60113.2S163S163-K167 PolarHBondContact O-N 3.01Å; S163-K167 VanDerWaalsContact O-N 3.16Å
168Q58.8Low58.7Low155 Ų155129.7 Ų129.772%0.72466%0.664SS**Hα-helixtrans-72-28.9175.7-76.6-165.5-35.800113.4D164 R165 Q166D164-Q168 PolarHBondContact O-N 3.41Å; R165-Q168 PolarHBondContact O-N 3.26Å; Q166-Q168 VanDerWaalsContact C-N 3.29Å; Q166-Q168 PolarHBondContact O-N 3.45Å
169I56.1Low55.8Low123 Ų123133 Ų13363%0.63168%0.677SS**Hα-helixtrans-77.5-33.5179.6-63.1169.1000110.9R165 Q166 S171R165-I169 PolarHBondContact O-N 3.08Å; Q166-I169 PolarHBondContact O-N 3.03Å; I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 3.49Å
170S53.9Low53Low98 Ų98132.2 Ų132.269%0.68568%0.684SS**Hα-helixtrans-74.2-17.4-179.7-60.20000114.5Q166 Q172Q166-S170 PolarHBondContact O-N 3.1Å; Q166-S170 PolarHBondContact O-OG 2.86Å; S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.32Å
171S52.3Low50.3Low102 Ų102135.7 Ų135.771%0.71370%0.698SS**THydrogen-bonded Turntrans-79.3-4.7-178.786.10000114.2I169I169-S171 VanDerWaalsContact C-N 3.33Å; I169-S171 PolarHBondContact O-N 3.49Å
172Q49Very low47.8Very low164 Ų164134.1 Ų134.177%0.76671%0.705SS**THydrogen-bonded Turntrans-96.8-14.6-177.8-104-178.2-10.200115.3S170S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.32Å
173N41.6Very low45.4Very low152 Ų152131.6 Ų131.681%0.81371%0.707SS**SBendtrans-12240.7-167-74.5-6.7000115.5
174G36.4Very low43.3Very low75 Ų75137.7 Ų137.777%0.77374%0.737SS**  trans-131.770.4177.300000113.6
175I30.6Very low40.9Very low152 Ų152140 Ų14078%0.77975%0.749SS**  trans-110.3124.6169.2-70179.1000108.5
176T29.6Very low38.8Very low125 Ų125139 Ų13977%0.76776%0.755SS**  trans65110.8156.361.10000120.3
177S32.2Very low37Very low123 Ų123139.9 Ų139.986%0.8676%0.764SS**  trans-14996.613165.70000109.1
178D28.5Very low35.4Very low142 Ų142139.9 Ų139.976%0.75977%0.771SS**  trans-80.7156.1167.4-92.4-39.7000111.1
179H28.9Very low33.9Very low177 Ų177139.7 Ų139.782%0.81977%0.768SS**  trans75.7106.3165.5-64.9-74.4000119.2
180L25.6Very low32.6Very low155 Ų155142.9 Ų142.981%0.81277%0.773SS**  -164.5108.5118.8-147.269000114.8
181W26Very low31.4Very low213 Ų213145.8 Ų145.881%0.80778%0.78SS**  trans69.4112.1140.2-66.164.7000125.7
182T27.5Very low30.1Very low120 Ų120150.8 Ų150.874%0.73679%0.789SS**  trans66.7127130.756.60000124
183S30Very low29.3Very low104 Ų104146 Ų14673%0.72778%0.784SS**  trans-54.2146.3173.5-55.60000117.1
184D30.1Very low28.7Very low168 Ų168144.8 Ų144.890%0.89878%0.784SS**  -153.8152.8126.1-100.8-28.7000110.6
185N25.9Very low28.2Very low137 Ų137149.6 Ų149.673%0.73379%0.791SS**  trans-104.1165.1-145.6-106.8-42.6000114.1
186I25.8Very low28Very low144 Ų144150.9 Ų150.974%0.73879%0.794SS**  trans8598.4155.9-57.1137.7000116.7
187D27.2Very low27.8Very low159 Ų159151.2 Ų151.285%0.8580%0.796SS**  -164.4146.986.8-116.2-28.6000112.4
188N28.2Very low27.6Very low150 Ų150150.8 Ų150.880%0.80279%0.79SS**  trans-108.7164.9-164.3-121.3-33.6000112.3
189K26.3Very low27.5Very low151 Ų151150.3 Ų150.366%0.65779%0.787SS**  trans86.2134164.1-68.4166151-170.90116.2
190Y29.2Very low27.4Very low190 Ų190148 Ų14875%0.74579%0.786SS**  cis-143.8157.729.9-87.5-79.6000113.3
191L28.6Very low27.4Very low159 Ų159148.5 Ų148.583%0.83279%0.788SS**  trans-68.2151.6-170.8-85.589.6000116.7
192K25.4Very low27.3Very low206 Ų206144.1 Ų144.190%0.89679%0.786SS**  trans-58.5146.2148.7-72.3174.7172175.70112.4
193G31.4Very low27.4Very low63 Ų63143.9 Ų143.965%0.64978%0.784SS**  trans178101.1155.100000111L195G193-L195 PolarHBondContact O-N 3.26Å
194P28.5Very low27Very low128 Ų128146.3 Ų146.383%0.83179%0.788SS**PPolyproline II helixtrans-78.3118.7176.129.7-27.9000109.5
195L25.7Very low26.9Very low175 Ų175143.3 Ų143.392%0.91678%0.781SS**PPolyproline II helixtrans-72.7132169.5-111.8100.2000109.8G193G193-L195 PolarHBondContact O-N 3.26Å
196Q27.1Very low26.9Very low179 Ų179143.1 Ų143.184%0.83679%0.785SS**PPolyproline II helixtrans-63.8148.4176.1-76.7168.2-42.100112.7
197V24.7Very low26.7Very low133 Ų133146.8 Ų146.881%0.80679%0.791SS**PPolyproline II helixtrans-53.3138.4162.1-1770000110.9
198P28.1Very low26.8Very low113 Ų113145.2 Ų145.273%0.73479%0.789SS**  trans-113.8112.4149.124.5-7.9000110.5
199D28.3Very low26.7Very low133 Ų133146.1 Ų146.171%0.71179%0.789SS**  trans41.2109.3138.7-56.9-26.7000120.6L201D199-L201 PolarHBondContact O-N 2.88Å
200T25.8Very low26.8Very low129 Ų129146.6 Ų146.679%0.79180%0.798SS**  trans-3.5108.3130.941.80000116.1
201L26.2Very low26.7Very low164 Ų164142.4 Ų142.486%0.85980%0.803SS**  trans-9598.6154-85.2159.7000108.9D199 V203D199-L201 PolarHBondContact O-N 2.88Å; L201-V203 PolarHBondContact O-N 2.83Å
202T23.9Very low26.7Very low122 Ų122146.5 Ų146.575%0.74881%0.808SS**  trans-60.4115.9157.637.40000109.6
203V28Very low26.6Very low115 Ų115142.9 Ų142.970%0.69780%0.802SS**  trans-114.295.3162.7-179.30000107.8L201 S205L201-V203 PolarHBondContact O-N 2.83Å; V203-S205 PolarHBondContact O-N 2.59Å
204N23.2Very low26.5Very low154 Ų154149.2 Ų149.282%0.82481%0.813SS**  trans-67.5113.5160.2-80.9-21.4000108
205S27.5Very low26.7Very low106 Ų106148 Ų14874%0.74181%0.805SS**  trans-120.991.6165.1-66.50000108.7V203V203-S205 PolarHBondContact O-N 2.59Å
206T25Very low26.7Very low132 Ų132147.2 Ų147.281%0.8180%0.801SS**  trans-47.3139.2167.311.80000113
207Y22.2Very low26.9Very low221 Ų221146.2 Ų146.287%0.86780%0.802SS**  trans-50.2138.2168.4-73.5-95.4000113.2
208P29.8Very low27.4Very low127 Ų127145.5 Ų145.583%0.82580%0.8SS**  trans-93.1104.515531.4-20.8000109.1
209E26.1Very low27.3Very low168 Ų168145.4 Ų145.479%0.78580%0.802SS**  trans-65.4152.1155.5-79.5-179.6138.200109.9
210N27.7Very low27.2Very low161 Ų161143.5 Ų143.586%0.86180%0.804SS**  trans100.982.5167.2-49.2-41.8000116.6
211A28.3Very low27.3Very low103 Ų103144.1 Ų144.185%0.85181%0.808SS**  trans-136117.6144.700000109.3
212R28.4Very low27.3Very low244 Ų244142.2 Ų142.292%0.92181%0.808SS**  trans-67.3144-174.3-75.7174.3173.6158.9-3112.2
213V23Very low27.4Very low130 Ų130140.2 Ų140.279%0.78880%0.804SS**  trans-55129.8169177.10000112
214F29.4Very low27.3Very low197 Ų197138.2 Ų138.286%0.86481%0.807SS**  trans-131.2140.9147.9-85.5-77.6000108.7
215P32.1Very low27.4Very low102 Ų102138.3 Ų138.366%0.66281%0.806SS**  trans-94.3147.3-163.236-32.9000114.5
216N26.6Very low27.3Very low158 Ų158139.8 Ų139.885%0.84581%0.81SS**  trans30.2115.9146.6-59.7-13.3000120.1
217D30.4Very low27.3Very low158 Ų158138.9 Ų138.985%0.84581%0.81SS**  trans-137.3126.5140.2-119.9-22.5000110.1
218P36.2Very low27.4Very low119 Ų119139.8 Ų139.877%0.77381%0.811SS**  trans-96.898.8-176.434.9-26.6000110.1
219S25Very low27.1Very low110 Ų110137.2 Ų137.277%0.76981%0.808SS**  trans-159138.2158.946.60000111.3
220A27.4Very low27.1Very low93 Ų93134 Ų13477%0.76981%0.81SS**  trans68.881.7162.600000118.3
221V26.3Very low27.1Very low142 Ų142131.6 Ų131.686%0.86181%0.806SS**  trans-139.769.5139.7-161.40000109.9A223V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 HydrophobicContact CG1-CB 4.3Å; V221-A223 PolarHBondContact O-N 3.27Å
222S26.7Very low27.1Very low124 Ų124132.5 Ų132.587%0.86781%0.806SS**  trans-92.776.2157.41740000107.4G224S222-G224 PolarHBondContact O-N 3.35Å
223A26.8Very low27Very low80 Ų80129.1 Ų129.166%0.66181%0.806SS**  trans-71.5122.7170.500000108.7V221 I225V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 HydrophobicContact CG1-CB 4.3Å; V221-A223 PolarHBondContact O-N 3.27Å; A223-I225 PolarHBondContact O-N 2.87Å
224G25.2Very low27.2Very low74 Ų74127.9 Ų127.976%0.76380%0.803SS**  trans-58.3130.1-17600000113.1S222S222-G224 PolarHBondContact O-N 3.35Å
225I25.4Very low26.9Very low156 Ų156126.8 Ų126.880%0.880%0.8SS**  trans-113.2102.7159.2-63.5178000106.1A223 S227A223-I225 PolarHBondContact O-N 2.87Å; I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 3.45Å
226T25.3Very low26.7Very low136 Ų136132.3 Ų132.383%0.83481%0.814SS**  trans-67.287.9168.642.40000108.7R228T226-R228 PolarHBondContact O-N 3.02Å; T226-R228 VanDerWaalsContact O-N 3.08Å
227S25.8Very low26.7Very low113 Ų113128.2 Ų128.279%0.7981%0.809SS**  trans-73.9101.2170.965.30000109.3I225I225-S227 VanDerWaalsContact C-N 3.32Å; I225-S227 PolarHBondContact O-N 3.45Å
228R23.3Very low26.7Very low240 Ų240126.1 Ų126.191%0.90681%0.807SS**  trans-64.4143.5168.1-83.6177.7163174.7-4.9109.7T226T226-R228 PolarHBondContact O-N 3.02Å; T226-R228 VanDerWaalsContact O-N 3.08Å
229G24.2Very low26.2Very low74 Ų74126.4 Ų126.476%0.76381%0.811SS**  trans-37.1127.6-171.300000117.1
230A26.4Very low26.6Very low100 Ų100125.9 Ų125.983%0.82681%0.814SS**  trans-85.8105.5158.900000108.2S232A230-S232 PolarHBondContact O-N 3.11Å
231S28.1Very low26.5Very low111 Ų111129.9 Ų129.978%0.77682%0.821SS**  trans-61.9113.7170.3-45.10000109.3L233S231-L233 PolarHBondContact O-N 3.07Å
232S26.7Very low26.4Very low121 Ų121127 Ų12785%0.84682%0.82SS**  trans-63.3101.5175.9-60.50000110.8A230 S234A230-S232 PolarHBondContact O-N 3.11Å; S232-S234 PolarHBondContact O-N 2.87Å
233L26.6Very low26.5Very low174 Ų174126 Ų12691%0.91182%0.819SS**  trans-79.7103.1167.6-80.7161.3000109.1S231 H235S231-L233 PolarHBondContact O-N 3.07Å; L233-H235 PolarHBondContact O-N 3.47Å
234S26.8Very low26.6Very low104 Ų104128.6 Ų128.673%0.72783%0.827SS**  trans-79.499.716543.50000108.8S232S232-S234 PolarHBondContact O-N 2.87Å
235H24.4Very low27Very low174 Ų174131.6 Ų131.681%0.80683%0.833SS**  trans-169.1102.1155.2-100.319.8000109.9L233L233-H235 PolarHBondContact O-N 3.47Å
236F27.3Very low27.1Very low218 Ų218127.4 Ų127.496%0.95683%0.829SS**  trans-140.289.7153.5-97.7-77.6000108.3
237G27.4Very low27.1Very low72 Ų72128.4 Ų128.474%0.74283%0.829SS**  trans-69.8140.4164.300000110.1
238S29.4Very low27.3Very low113 Ų113130.7 Ų130.779%0.7983%0.83SS**  trans-64.7141.2-173-58.40000113.4A240S238-A240 PolarHBondContact O-N 2.94Å
239S26.1Very low27.4Very low125 Ų125125.5 Ų125.587%0.87482%0.821SS**  trans-58109.8172.8-43.80000111.4
240A32.4Very low27.5Very low99 Ų99127.6 Ų127.682%0.81882%0.824SS**  trans-110.6112.6156.800000107.3S238S238-A240 PolarHBondContact O-N 2.94Å
241L25.8Very low27.3Very low178 Ų178128.6 Ų128.693%0.93282%0.823SS**  trans-66.2135.2177.7-74.7148.5000110.5
242G24.2Very low27.4Very low80 Ų80128.7 Ų128.783%0.82582%0.824SS**  trans97.484.5149.900000116.9
243A29.3Very low27.3Very low104 Ų104131 Ų13186%0.8683%0.827SS**  trans-160.2139.4139.800000109.7
244T28.8Very low27.3Very low135 Ų135127.6 Ų127.683%0.82882%0.817SS**  trans-62.3157.8-164.940.30000116.7G246T244-G246 PolarHBondContact O-N 3.47Å
245P32.4Very low27.6Very low137 Ų137128.8 Ų128.889%0.8982%0.823SS**  trans-80.1116.9-166.631.7-32.2000112.4
246G28.2Very low27.9Very low68 Ų68127.3 Ų127.370%0.70183%0.826SS**  trans-111.1116.5170.900000110.7T244 I248T244-G246 PolarHBondContact O-N 3.47Å; G246-I248 PolarHBondContact O-N 2.98Å
247N25.7Very low28Very low156 Ų156120.3 Ų120.383%0.83482%0.815SS**  trans-45.1117.5179.4-15322.4000114.2
248I29Very low28Very low161 Ų161121.6 Ų121.683%0.82682%0.819SS**  trans-131.5120.7164.4-57.8178.9000109G246G246-I248 PolarHBondContact O-N 2.98Å
249N27.3Very low27.9Very low132 Ų132125 Ų12571%0.70683%0.825SS**  trans-60.6135.8-176.4-74-35.2000112.7C251N249-C251 PolarHBondContact O-N 3.33Å
250S24.4Very low27.9Very low118 Ų118124.9 Ų124.983%0.82582%0.819SS**  trans-49.5116.8165.747.20000112.9
251C23.5Very low27.7Very low121 Ų121127.6 Ų127.682%0.81882%0.818SS**  trans-107.6133.6157.944.70000109.8N249N249-C251 PolarHBondContact O-N 3.33Å
252S29.1Very low27.7Very low113 Ų113125 Ų12579%0.7981%0.81SS**  trans-73.4129.7-160.4-34.60000112.6S254S252-S254 PolarHBondContact O-N 3.41Å
253N24.7Very low27.8Very low170 Ų170126.6 Ų126.691%0.90981%0.808SS**  trans-69.4110.3166.9-79.5-22.9000110
254S27.9Very low27.7Very low101 Ų101127.1 Ų127.171%0.70681%0.806SS**  trans-104.6129.4164.4-52.40000108.6S252 T256S252-S254 PolarHBondContact O-N 3.41Å; S254-T256 PolarHBondContact O-N 3.08Å
255P32.9Very low27.5Very low130 Ų130123.7 Ų123.784%0.84480%0.797SS**PPolyproline II helixtrans-76.5126.2-170.3-0.617.3000110.9G257P255-G257 PolarHBondContact O-N 2.97Å
256T29.9Very low27.4Very low142 Ų142122.7 Ų122.787%0.87179%0.794SS**PPolyproline II helixtrans-61.3119.8172.944.60000110.5S254S254-T256 PolarHBondContact O-N 3.08Å
257G29.1Very low27.3Very low71 Ų71127.7 Ų127.773%0.73280%0.804SS**PPolyproline II helixtrans-61.6143.2-177.800000113.7P255 M259P255-G257 PolarHBondContact O-N 2.97Å; G257-M259 PolarHBondContact O-N 2.82Å
258A27.9Very low27.5Very low100 Ų100125.2 Ų125.283%0.82680%0.799SS**PPolyproline II helixtrans-59116.7166.300000109.5T260A258-T260 PolarHBondContact O-N 2.96Å
259M27.2Very low27.4Very low183 Ų183122.4 Ų122.490%0.90180%0.8SS**PPolyproline II helixtrans-68.5116.8170.3-83.5-170.1-78.800109.7G257 I261G257-M259 PolarHBondContact O-N 2.82Å; M259-I261 PolarHBondContact O-N 2.98Å
260T26.4Very low27.3Very low124 Ų124124.1 Ų124.176%0.76181%0.806SS**  trans-64.6115.6166.4-51.70000108.9A258 T262A258-T260 PolarHBondContact O-N 2.96Å; T260-T262 PolarHBondContact O-N 2.86Å; T260-T262 VanDerWaalsContact O-N 3.12Å
261I27.8Very low27.7Very low155 Ų155123.9 Ų123.980%0.79580%0.801SS**  trans-71103.6173.9-61.5172.7000107.5M259 S263M259-I261 PolarHBondContact O-N 2.98Å; I261-S263 PolarHBondContact O-N 3.18Å
262T25.4Very low28Very low124 Ų124124 Ų12476%0.76180%0.799SS**  trans-77.9100.516648.60000108.3T260 S264T260-T262 PolarHBondContact O-N 2.86Å; T260-T262 VanDerWaalsContact O-N 3.12Å; T262-S264 PolarHBondContact O-N 3.37Å; T262-S264 VanDerWaalsContact O-N 3.16Å
263S28.1Very low28Very low113 Ų113125.1 Ų125.179%0.7980%0.801SS**  trans-71.398.3172.251.60000110.1I261I261-S263 PolarHBondContact O-N 3.18Å
264S26.5Very low28.3Very low115 Ų115120.1 Ų120.180%0.80479%0.789SS**  trans-85.6107169.6500000110.5T262T262-S264 PolarHBondContact O-N 3.37Å; T262-S264 VanDerWaalsContact O-N 3.16Å
265G25.4Very low28.6Very low63 Ų63121.4 Ų121.465%0.64979%0.793SS**  trans57.292.8137.300000117.9
266S28.2Very low28.6Very low117 Ų117121.9 Ų121.982%0.81879%0.787SS**  trans-129.898.9143.2-70.90000107.3S268S266-S268 VanDerWaalsContact C-N 3.28Å; S266-S268 PolarHBondContact O-N 3.23Å
267N27.5Very low28.7Very low173 Ų173119.5 Ų119.593%0.92577%0.774SS**  trans-68.583.7175.7-72.6-25.1000109.2
268S28.6Very low29.7Very low103 Ų103119.9 Ų119.972%0.7277%0.77SS**  trans-111.999.7156.254.30000106.4S266 M270S266-S268 VanDerWaalsContact C-N 3.28Å; S266-S268 PolarHBondContact O-N 3.23Å; S268-M270 PolarHBondContact O-N 3.41Å
269A28.6Very low30.3Very low102 Ų102121.1 Ų121.184%0.84376%0.763SS**  trans-50.2100.8178.700000110.2P271A269-P271 WeakPolarHBondContact O-CD 3.16Å
270M25.2Very low31Very low168 Ų168119.7 Ų119.783%0.82876%0.758SS**  trans-64.1120.5161.6-96.9-168.674.400106.6S268 T272S268-M270 PolarHBondContact O-N 3.41Å; M270-T272 PolarHBondContact O-N 3.19Å
271P30.9Very low31.7Very low113 Ų113121.7 Ų121.773%0.73476%0.761SS**  trans-63117.3170.724.9-27.3000106.9A269 T273A269-P271 WeakPolarHBondContact O-CD 3.16Å; P271-T273 PolarHBondContact O-N 3.44Å; P271-T273 VanDerWaalsContact O-N 3.1Å
272T29.9Very low32.2Very low124 Ų124120 Ų12076%0.76175%0.753SS**  trans-39.7114.8172.445.30000109.9M270 G274M270-T272 PolarHBondContact O-N 3.19Å; T272-G274 PolarHBondContact O-N 3.37Å
273T29Very low32.8Very low137 Ų137122.4 Ų122.484%0.8476%0.756SS**  trans10.467.3147.8500000114.5P271 T275P271-T273 PolarHBondContact O-N 3.44Å; P271-T273 VanDerWaalsContact O-N 3.1Å; T273-T275 PolarHBondContact O-N 3.16Å
274G31.2Very low33.3Very low64 Ų64123.4 Ų123.466%0.6676%0.757SS**  trans-81.9100.4164.100000104.9T272 I276T272-G274 PolarHBondContact O-N 3.37Å; G274-I276 PolarHBondContact O-N 3.19Å
275T34.2Very low33.4Very low128 Ų128123.8 Ų123.879%0.78576%0.759SS**  trans-29.4107.8168.2-45.70000109.6T273 P277T273-T275 PolarHBondContact O-N 3.16Å; T275-P277 WeakPolarHBondContact O-CD 3.27Å
276I32.8Very low34Very low141 Ų141126.5 Ų126.572%0.72377%0.767SS**  trans-54.8115171-62175.5000104.8G274 A278G274-I276 PolarHBondContact O-N 3.19Å; I276-A278 PolarHBondContact O-N 3.12Å; I276-A278 VanDerWaalsContact O-N 3.14Å
277P33.5Very low34.3Very low91 Ų91124.7 Ų124.759%0.59177%0.767SS**  trans-59.1125.3-176.6-21.932.8000107.9T275 D279 L280T275-P277 WeakPolarHBondContact O-CD 3.27Å; P277-D279 PolarHBondContact O-N 3.39Å; P277-L280 PolarHBondContact O-N 3.45Å
278A48.6Very low35Very low80 Ų80122.2 Ų122.266%0.66176%0.764SS**G310 helixtrans-53.3-18.2179.700000112.7I276 L280 M281I276-A278 PolarHBondContact O-N 3.12Å; I276-A278 VanDerWaalsContact O-N 3.14Å; A278-L280 VanDerWaalsContact C-N 3.26Å; A278-L280 PolarHBondContact O-N 2.97Å; A278-M281 PolarHBondContact O-N 3.42Å
279D41.6Very low35.4Very low126 Ų126121.2 Ų121.267%0.67477%0.769SS**G310 helixtrans-71.1-10.9-178.1-62.3-11000114.6P277 M281P277-D279 PolarHBondContact O-N 3.39Å; D279-M281 VanDerWaalsContact C-N 3.29Å; D279-M281 PolarHBondContact O-N 2.79Å
280L41.1Very low36.1Very low153 Ų153122.4 Ų122.480%0.80177%0.771SS**G310 helixtrans-80.9-6.3175.5-16358.4000113.7P277 A278P277-L280 PolarHBondContact O-N 3.45Å; A278-L280 VanDerWaalsContact C-N 3.26Å; A278-L280 PolarHBondContact O-N 2.97Å
281M40.6Very low37Very low166 Ų166117.4 Ų117.482%0.81876%0.763SS**G310 helixtrans-91.1-7.5177.6-74.9-176.1-178.500114.8A278 D279A278-M281 PolarHBondContact O-N 3.42Å; D279-M281 VanDerWaalsContact C-N 3.29Å; D279-M281 PolarHBondContact O-N 2.79Å
282D40Very low37.7Very low119 Ų119121.2 Ų121.264%0.63677%0.768SS**THydrogen-bonded Turntrans-96.211.3-169.3-83.9-7.6000116.3
283H38.3Very low38.5Very low174 Ų174120.9 Ų120.981%0.80677%0.768SS**THydrogen-bonded Turntrans-122.429.7-177-67-33.3000116.5
284T36.8Very low39.5Very low135 Ų135121.8 Ų121.883%0.82877%0.767SS**  trans-116.755.1165.655.70000112.3S286T284-S286 PolarHBondContact O-N 3.21Å
285C29.5Very low40.4Very low123 Ų123126.6 Ų126.683%0.83178%0.777SS**  trans-84.783.2166.4-68.90000110.1
286S38.8Very low41.4Very low119 Ų119125.8 Ų125.883%0.83277%0.771SS**  trans-116.5112.6155.5-92.70000108.4T284 S288T284-S286 PolarHBondContact O-N 3.21Å; S286-S288 PolarHBondContact O-N 3.09Å
287G34.5Very low42.7Very low79 Ų79127.1 Ų127.181%0.81477%0.774SS**  trans-65.1118.8-171.300000113.2
288S40.4Very low44.4Very low122 Ų122131.2 Ų131.285%0.85378%0.778SS**SBendtrans-173.9102.8140.8-80.80000108.3S286S286-S288 PolarHBondContact O-N 3.09Å
289G37.7Very low46.1Very low81 Ų81129.3 Ų129.384%0.83576%0.758SS**  trans57.179.8161.400000117G291G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 3.28Å
290S42.6Very low48.2Very low127 Ų127125.1 Ų125.189%0.88874%0.737SS**  trans-66.271.1177.449.20000114.2K292S290-K292 PolarHBondContact O-N 2.51Å
291G44.3Very low50.5Low64 Ų64117.8 Ų117.866%0.6670%0.699SS**  trans-68.1123.2148.600000107.4G289G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 3.28Å
292K46.9Very low52.8Low193 Ų193114.9 Ų114.984%0.83968%0.679SS**  trans-43.5129.4171.9-69.1-179.6178.1-179.20107.8S290 L294S290-K292 PolarHBondContact O-N 2.51Å; K292-L294 PolarHBondContact O-N 3.28Å
293P45.8Very low55.4Low116 Ų116112.7 Ų112.775%0.75367%0.665SS**  trans-53.6111.1178.419.7-29.6000107.1L295P293-L295 VanDerWaalsContact C-N 3.26Å; P293-L295 PolarHBondContact O-N 3.41Å
294L51.4Low58.1Low157 Ų157104.9 Ų104.982%0.82263%0.629SS**  trans-64.9101.7171-71.4173.6000103.8K292 V296K292-L294 PolarHBondContact O-N 3.28Å; L294-V296 PolarHBondContact O-N 2.53Å
295L49.1Very low60.9Low164 Ų164104.8 Ų104.886%0.85962%0.619SS**  trans-63.487.1168.3-67.8173.7000105.8P293 Q297P293-L295 VanDerWaalsContact C-N 3.26Å; P293-L295 PolarHBondContact O-N 3.41Å; L295-Q297 PolarHBondContact O-N 3.22Å
296V54.4Low64.1Low111 Ų111101.7 Ų101.767%0.67360%0.595SS**  trans-64.1111.8172.4178.60000105.5L294 R298L294-V296 PolarHBondContact O-N 2.53Å; V296-R298 PolarHBondContact O-N 3.12Å
297Q60.8Low66.8Low169 Ų169100.3 Ų100.379%0.7958%0.575SS**PPolyproline II helixtrans-55.3131.3176.7-172.2171.8-4.100108.6L295 T299L295-Q297 PolarHBondContact O-N 3.22Å; Q297-T299 PolarHBondContact O-N 3.28Å
298R69.5Low69.7Low177 Ų177101.7 Ų101.767%0.66856%0.56SS**PPolyproline II helixtrans-61.3117178.9-73.3-172.7-179174.80.8108.9V296 R302 Q303V296-R298 PolarHBondContact O-N 3.12Å; R298-R302 HydrophobicContact CB-CB 4.19Å; R298-R302 HydrophobicContact CG-CB 4.45Å; R298-Q303 HydrophobicContact CB-CG 3.88Å; R298-Q303 PolarHBondContact O-NE2 2.87Å
299T83.9Confident72.3Confident40 Ų40101.3 Ų101.325%0.24554%0.54CS..PPolyproline II helixtrans-65.1162.7171.166.60000110.4Q297 A301 R302 Q303 D365Q297-T299 PolarHBondContact O-N 3.28Å; T299-A301 VanDerWaalsContact C-N 3.31Å; T299-A301 PolarHBondContact O-N 2.99Å; T299-R302 WeakPolarHBondContact O-CA 3.41Å; T299-R302 WeakPolarHBondContact O-CB 3.44Å; T299-R302 PolarHBondContact O-N 3.31Å; T299-R302 PolarHBondContact OG1-NH1 2.96Å; T299-Q303 PolarHBondContact O-N 2.71Å; T299-D365 WeakPolarHBondContact CB-OD2 3.22Å; T299-D365 PolarHBondContact OG1-OD2 3.01Å
300V86.9Confident74.8Confident38 Ų38100.8 Ų100.823%0.2352%0.517CS..Hα-helixtrans-57.8-43.1-173.5-175.60000111.2R302 Q303 V304 W323 A363 D365 I378V300-R302 PolarHBondContact O-N 3.47Å; V300-R302 VanDerWaalsContact O-N 3.17Å; V300-Q303 WeakPolarHBondContact O-CA 3.34Å; V300-Q303 WeakPolarHBondContact O-CB 3.41Å; V300-Q303 PolarHBondContact O-N 3.31Å; V300-V304 HydrophobicContact CG1-CG2 4.35Å; V300-V304 WeakPolarHBondContact O-CG2 3.45Å; V300-V304 PolarHBondContact O-N 3.34Å; V300-W323 HydrophobicContact CG1-CD2 4.46Å; V300-W323 HydrophobicContact CG1-CZ2 4.34Å; V300-A363 HydrophobicContact CB-CB 4.1Å; V300-A363 HydrophobicContact CG1-CB 3.98Å; V300-A363 HydrophobicContact CG2-CB 4.05Å; V300-D365 PolarHBondContact N-OD2 3.2Å; V300-I378 HydrophobicContact CB-CD1 4.25Å; V300-I378 HydrophobicContact CG1-CD1 3.62Å
301A88.5Confident77Confident0 Ų096.1 Ų96.10%049%0.489CS..Hα-helixtrans-65.4-19.5177.500000114T299 D365 K367 W376T299-A301 VanDerWaalsContact C-N 3.31Å; T299-A301 PolarHBondContact O-N 2.99Å; A301-D365 HydrophobicContact CB-CB 3.91Å; A301-D365 WeakPolarHBondContact CB-OD2 3.47Å; A301-D365 PolarHBondContact N-OD2 3.45Å; A301-K367 HydrophobicContact CB-CB 4.19Å; A301-K367 HydrophobicContact CB-CD 4.32Å; A301-K367 PolarHBondContact O-NZ 3.37Å; A301-K367 VanDerWaalsContact O-NZ 3.16Å; A301-W376 HydrophobicContact CB-CB 4.18Å; A301-W376 HydrophobicContact CB-CD2 3.62Å; A301-W376 HydrophobicContact CB-CE3 3.76Å; A301-W376 HydrophobicContact CB-CG 3.81Å; A301-W376 HydrophobicContact CB-CZ3 4.34Å
302R89.6Confident79Confident104 Ų104100 Ų10039%0.39249%0.49SS..Hα-helixtrans-85.1-13.7171.6-67.2-174.9176.4100.7-9.2112.9R298 T299 V300R298-R302 HydrophobicContact CB-CB 4.19Å; R298-R302 HydrophobicContact CG-CB 4.45Å; T299-R302 WeakPolarHBondContact O-CA 3.41Å; T299-R302 WeakPolarHBondContact O-CB 3.44Å; T299-R302 PolarHBondContact O-N 3.31Å; T299-R302 PolarHBondContact OG1-NH1 2.96Å; V300-R302 PolarHBondContact O-N 3.47Å; V300-R302 VanDerWaalsContact O-N 3.17Å
303Q92.8Very high80.3Confident74 Ų7492.9 Ų92.935%0.34647%0.472SS..Hα-helixtrans-97.4-26176.4-61.8179.65.500112.8R298 T299 V300 Q305R298-Q303 HydrophobicContact CB-CG 3.88Å; R298-Q303 PolarHBondContact O-NE2 2.87Å; T299-Q303 PolarHBondContact O-N 2.71Å; V300-Q303 WeakPolarHBondContact O-CA 3.34Å; V300-Q303 WeakPolarHBondContact O-CB 3.41Å; V300-Q303 PolarHBondContact O-N 3.31Å; Q303-Q305 PolarHBondContact O-N 3.39Å
304V95.4Very high81.7Confident9 Ų997.3 Ų97.36%0.05547%0.474CS..  trans-67.3125.9175.1178.40000110.1V300 L306 W323 V328 W376 I378V300-V304 HydrophobicContact CG1-CG2 4.35Å; V300-V304 WeakPolarHBondContact O-CG2 3.45Å; V300-V304 PolarHBondContact O-N 3.34Å; V304-L306 HydrophobicContact CG1-CD2 4.02Å; V304-W323 HydrophobicContact CG2-CB 4.09Å; V304-W323 HydrophobicContact CG2-CG 4.27Å; V304-V328 HydrophobicContact CG1-CG2 3.9Å; V304-V328 HydrophobicContact CG2-CG2 4.4Å; V304-W376 HydrophobicContact CB-CZ3 4.06Å; V304-W376 HydrophobicContact CG1-CZ3 4.08Å; V304-I378 HydrophobicContact CG2-CD1 3.78Å
305Q96.2Very high83Confident133 Ų13391.3 Ų91.362%0.62144%0.44SS*.EExtended strand (participates in β ladder)trans-91.8113.2167.5-177.3172.95.400108.9Q303 G321 V322Q303-Q305 PolarHBondContact O-N 3.39Å; Q305-G321 CarbonylContact O-C 3.53Å; Q305-G321 WeakPolarHBondContact O-CA 3.24Å; Q305-V322 PolarHBondContact N-O 3.09Å; Q305-V322 PolarHBondContact O-N 3.37Å
306L96Very high84.6Confident59 Ų5984.3 Ų84.331%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-74.3136.5173.8-60.1-177.4000109.8V304 W319 A330 I332 W376V304-L306 HydrophobicContact CG1-CD2 4.02Å; L306-W319 HydrophobicContact CB-CD2 4.46Å; L306-W319 HydrophobicContact CB-CE3 4.06Å; L306-W319 HydrophobicContact CD1-CD2 4.1Å; L306-W319 HydrophobicContact CD1-CE3 4.44Å; L306-W319 HydrophobicContact CD1-CG 4.12Å; L306-W319 HydrophobicContact CD2-CB 3.71Å; L306-W319 HydrophobicContact CD2-CG 4.21Å; L306-A330 HydrophobicContact CD2-CB 3.96Å; L306-I332 HydrophobicContact CD1-CD1 3.73Å; L306-W376 HydrophobicContact CD1-CH2 3.59Å; L306-W376 HydrophobicContact CD1-CZ2 4.1Å; L306-W376 HydrophobicContact CD1-CZ3 4.45Å; L306-W376 HydrophobicContact CD2-CH2 3.62Å; L306-W376 HydrophobicContact CD2-CZ3 3.65Å; L306-W376 HydrophobicContact CG-CH2 3.65Å; L306-W376 HydrophobicContact CG-CZ3 4.2Å
307E95.9Very high86.5Confident90 Ų9080.4 Ų80.442%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-113.6-64.4178.7-64.1-169.8163.700111.2R320 V322E307-R320 PolarHBondContact N-O 3.3Å; E307-R320 IonicContact OE2-CZ 3.55Å; E307-R320 IonicContact OE2-NH1 2.73Å; E307-R320 PolarHBondContact OE2-NH1 3.22Å; E307-R320 IonicContact OE2-NH2 2.93Å; E307-R320 PolarHBondContact OE2-NH2 3.43Å; E307-V322 HydrophobicContact CG-CG2 4.46Å; E307-V322 VanDerWaalsContact OE1-CG2 3.23Å; E307-V322 WeakPolarHBondContact OE1-CG2 3.21Å
308E95.2Very high88.1Confident107 Ų10774.3 Ų74.350%0.536%0.358SS..EExtended strand (participates in β ladder)trans-129.2139.8-169.6-177.5-177.3-178.300111.2I310 W319 R320E308-I310 HydrophobicContact CG-CG2 4.36Å; E308-I310 PolarHBondContact O-N 3.42Å; E308-W319 VanDerWaalsContact C-CE3 3.42Å; E308-W319 CarbonylContact O-C 3.44Å; E308-W319 VanDerWaalsContact O-CA 3.28Å; E308-W319 WeakPolarHBondContact O-CA 3.4Å; E308-R320 HydrophobicContact CB-CB 4.43Å; E308-R320 PolarHBondContact N-O 2.96Å; E308-R320 PolarHBondContact O-N 3.03Å
309R94.8Very high89.4Confident114 Ų11469.5 Ų69.543%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-81.4110.2171.3-177.5178.5-176.3-17810.1109.3E312 V317 W319R309-E312 IonicContact CZ-OE2 3.98Å; R309-E312 IonicContact NH1-OE2 3.09Å; R309-E312 IonicContact NH2-OE1 3.79Å; R309-E312 PolarHBondContact NH2-OE1 2.72Å; R309-E312 VanDerWaalsContact NH2-OE1 3.15Å; R309-E312 IonicContact NH2-OE2 2.77Å; R309-E312 PolarHBondContact NH2-OE2 3.3Å; R309-V317 HydrophobicContact CG-CG1 3.55Å; R309-W319 HydrophobicContact CB-CD2 4.16Å; R309-W319 HydrophobicContact CB-CE3 4.1Å; R309-W319 HydrophobicContact CB-CH2 4.04Å; R309-W319 HydrophobicContact CB-CZ2 4.09Å; R309-W319 HydrophobicContact CB-CZ3 4.04Å; R309-W319 HydrophobicContact CG-CZ2 4.45Å
310I91.7Very high90Very high70 Ų7070.1 Ų70.136%0.35934%0.338SS..EExtended strand (participates in β ladder)trans-98.3-17.5-174.860.8174.7000113.7E308 V318 R320 Y381E308-I310 HydrophobicContact CG-CG2 4.36Å; E308-I310 PolarHBondContact O-N 3.42Å; I310-V318 HydrophobicContact CD1-CG1 3.76Å; I310-V318 HydrophobicContact CG1-CB 4.03Å; I310-V318 HydrophobicContact CG1-CG1 3.78Å; I310-V318 WeakPolarHBondContact CG1-O 3.2Å; I310-V318 PolarHBondContact N-O 3.18Å; I310-R320 HydrophobicContact CD1-CB 4.48Å; I310-R320 HydrophobicContact CG2-CB 3.7Å; I310-Y381 HydrophobicContact CD1-CD2 3.96Å; I310-Y381 HydrophobicContact CD1-CE2 3.66Å; I310-Y381 HydrophobicContact CG2-CE2 4.44Å
311G87.2Confident90.5Very high29 Ų2968.3 Ų68.330%0.29933%0.327SS..EExtended strand (participates in β ladder)trans-166.1157.3178.700000113.8V317 V318G311-V317 WeakPolarHBondContact O-CG1 3.22Å; G311-V318 PolarHBondContact N-O 3.38Å; G311-V318 PolarHBondContact O-N 3.2Å
312E86.4Confident91Very high145 Ų14569.9 Ų69.968%0.67834%0.337SS*.EExtended strand (participates in β ladder)trans-129.9123.5170.6179.9168.5-153.100108.4R309 V317R309-E312 IonicContact CZ-OE2 3.98Å; R309-E312 IonicContact NH1-OE2 3.09Å; R309-E312 IonicContact NH2-OE1 3.79Å; R309-E312 PolarHBondContact NH2-OE1 2.72Å; R309-E312 VanDerWaalsContact NH2-OE1 3.15Å; R309-E312 IonicContact NH2-OE2 2.77Å; R309-E312 PolarHBondContact NH2-OE2 3.3Å; E312-V317 HydrophobicContact CG-CG2 4.48Å
313G73.9Confident91.3Very high45 Ų4567.4 Ų67.446%0.46433%0.327SS..EExtended strand (participates in β ladder)trans-117.3178.1175.800000111.2Y315 G316G313-Y315 PolarHBondContact O-N 3.43Å; G313-Y315 VanDerWaalsContact O-N 3.16Å; G313-G316 PolarHBondContact N-O 2.68Å; G313-G316 PolarHBondContact O-N 3.11Å
314R76.3Confident91.2Very high209 Ų20970.8 Ų70.879%0.78934%0.343SS*.THydrogen-bonded Turntrans-54.9-35.2179.3-178179-179.7-177.33.8113.6
315Y78.1Confident91.1Very high31 Ų3173.5 Ų73.512%0.12237%0.372CS..THydrogen-bonded Turntrans-102.1-4.5-170-54.9-65.1000113.8G313 F333 S340 F453G313-Y315 PolarHBondContact O-N 3.43Å; G313-Y315 VanDerWaalsContact O-N 3.16Å; Y315-F333 WeakPolarHBondContact O-CD1 3.42Å; Y315-S340 VanDerWaalsContact CD1-OG 3.28Å; Y315-S340 WeakPolarHBondContact CD1-OG 3.28Å; Y315-S340 VanDerWaalsContact CE1-OG 3.23Å; Y315-S340 WeakPolarHBondContact CE1-OG 3.49Å; Y315-F453 HydrophobicContact CE2-CE2 4.16Å; Y315-F453 HydrophobicContact CE2-CZ 4.03Å; Y315-F453 AromaticContact CZ-CZ 3.99Å; Y315-F453 WeakPolarHBondContact OH-CZ 3.4Å
316G83.8Confident91.1Very high17 Ų1772.4 Ų72.418%0.17537%0.371CS..EExtended strand (participates in β ladder)trans160.5-175-174.300000114.6G313 I332G313-G316 PolarHBondContact N-O 2.68Å; G313-G316 PolarHBondContact O-N 3.11Å; G316-I332 CarbonylContact C-O 3.49Å; G316-I332 WeakPolarHBondContact CA-O 3.4Å
317V92.8Very high91.1Very high29 Ų2972.9 Ų72.918%0.17637%0.374CS..EExtended strand (participates in β ladder)trans-111.2133.9-176.6-176.30000109.4R309 G311 E312 W319 I332R309-V317 HydrophobicContact CG-CG1 3.55Å; G311-V317 WeakPolarHBondContact O-CG1 3.22Å; E312-V317 HydrophobicContact CG-CG2 4.48Å; V317-W319 VanDerWaalsContact CG1-NE1 3.31Å; V317-I332 PolarHBondContact N-O 2.93Å; V317-I332 PolarHBondContact O-N 3.44Å
318V94.9Very high91.2Very high40 Ų4068.7 Ų68.724%0.24235%0.354CS..EExtended strand (participates in β ladder)trans-99.1127.1175.3-1680000109.1I310 G311 A329 A330 K331I310-V318 HydrophobicContact CD1-CG1 3.76Å; I310-V318 HydrophobicContact CG1-CB 4.03Å; I310-V318 HydrophobicContact CG1-CG1 3.78Å; I310-V318 WeakPolarHBondContact CG1-O 3.2Å; I310-V318 PolarHBondContact N-O 3.18Å; G311-V318 PolarHBondContact N-O 3.38Å; G311-V318 PolarHBondContact O-N 3.2Å; V318-A329 HydrophobicContact CG1-CB 4.37Å; V318-A330 WeakPolarHBondContact CA-O 3.26Å; V318-K331 HydrophobicContact CG2-CB 4.26Å; V318-K331 HydrophobicContact CG2-CG 4.07Å
319W97.3Very high91.3Very high76 Ų7664 Ų6429%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-115.5139.7177.1-70.179.3000110.6L306 E308 R309 V317 A329 A330 I332L306-W319 HydrophobicContact CB-CD2 4.46Å; L306-W319 HydrophobicContact CB-CE3 4.06Å; L306-W319 HydrophobicContact CD1-CD2 4.1Å; L306-W319 HydrophobicContact CD1-CE3 4.44Å; L306-W319 HydrophobicContact CD1-CG 4.12Å; L306-W319 HydrophobicContact CD2-CB 3.71Å; L306-W319 HydrophobicContact CD2-CG 4.21Å; E308-W319 VanDerWaalsContact C-CE3 3.42Å; E308-W319 CarbonylContact O-C 3.44Å; E308-W319 VanDerWaalsContact O-CA 3.28Å; E308-W319 WeakPolarHBondContact O-CA 3.4Å; R309-W319 HydrophobicContact CB-CD2 4.16Å; R309-W319 HydrophobicContact CB-CE3 4.1Å; R309-W319 HydrophobicContact CB-CH2 4.04Å; R309-W319 HydrophobicContact CB-CZ2 4.09Å; R309-W319 HydrophobicContact CB-CZ3 4.04Å; R309-W319 HydrophobicContact CG-CZ2 4.45Å; V317-W319 VanDerWaalsContact CG1-NE1 3.31Å; W319-A329 CarbonylContact O-C 3.52Å; W319-A329 WeakPolarHBondContact O-CA 3.25Å; W319-A330 PolarHBondContact N-O 2.84Å; W319-A330 PolarHBondContact O-N 2.89Å; W319-I332 HydrophobicContact CG-CD1 4.35Å
320R97.6Very high91.4Very high54 Ų5458.6 Ų58.620%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-76.5135.7157.8175.5178.9167.4-91.9-21.6108.2E307 E308 I310 L327 Y381E307-R320 PolarHBondContact N-O 3.3Å; E307-R320 IonicContact OE2-CZ 3.55Å; E307-R320 IonicContact OE2-NH1 2.73Å; E307-R320 PolarHBondContact OE2-NH1 3.22Å; E307-R320 IonicContact OE2-NH2 2.93Å; E307-R320 PolarHBondContact OE2-NH2 3.43Å; E308-R320 HydrophobicContact CB-CB 4.43Å; E308-R320 PolarHBondContact N-O 2.96Å; E308-R320 PolarHBondContact O-N 3.03Å; I310-R320 HydrophobicContact CD1-CB 4.48Å; I310-R320 HydrophobicContact CG2-CB 3.7Å; R320-L327 VanDerWaalsContact NH2-CD2 3.33Å; R320-Y381 HydrophobicContact CB-CD2 4.35Å; R320-Y381 HydrophobicContact CB-CE2 4.12Å; R320-Y381 HydrophobicContact CG-CD1 4.35Å; R320-Y381 HydrophobicContact CG-CD2 4.29Å; R320-Y381 HydrophobicContact CG-CE1 4.19Å; R320-Y381 HydrophobicContact CG-CE2 4.16Å; R320-Y381 HydrophobicContact CG-CG 4.39Å
321G97.4Very high91.6Very high0 Ų056.6 Ų56.60%030%0.302CS..EExtended strand (participates in β ladder)trans-147.2179.4175.400000112.2Q305 V328Q305-G321 CarbonylContact O-C 3.53Å; Q305-G321 WeakPolarHBondContact O-CA 3.24Å; G321-V328 PolarHBondContact N-O 2.91Å; G321-V328 PolarHBondContact O-N 2.92Å
322V97.4Very high91.9Very high33 Ų3356.1 Ų56.120%0.229%0.292CS..EExtended strand (participates in β ladder)trans-121.4132.5176.6178.70000109Q305 E307 D326 L327Q305-V322 PolarHBondContact N-O 3.09Å; Q305-V322 PolarHBondContact O-N 3.37Å; E307-V322 HydrophobicContact CG-CG2 4.46Å; E307-V322 VanDerWaalsContact OE1-CG2 3.23Å; E307-V322 WeakPolarHBondContact OE1-CG2 3.21Å; V322-D326 CarbonylContact C-O 3.32Å; V322-D326 WeakPolarHBondContact CA-O 3.32Å; V322-L327 HydrophobicContact CG2-CD2 4.07Å
323W95.6Very high92.2Very high52 Ų5249.3 Ų49.320%0.19726%0.261CS..EExtended strand (participates in β ladder)trans-133.2118.7172.9179.463.3000109.6V300 V304 G325 D326 V328 I362V300-W323 HydrophobicContact CG1-CD2 4.46Å; V300-W323 HydrophobicContact CG1-CZ2 4.34Å; V304-W323 HydrophobicContact CG2-CB 4.09Å; V304-W323 HydrophobicContact CG2-CG 4.27Å; W323-G325 PolarHBondContact O-N 3.06Å; W323-G325 VanDerWaalsContact O-N 3.08Å; W323-D326 PolarHBondContact N-O 3.32Å; W323-D326 PolarHBondContact O-N 3.25Å; W323-V328 HydrophobicContact CB-CG1 3.95Å; W323-V328 HydrophobicContact CB-CG2 4.14Å; W323-I362 HydrophobicContact CE3-CG2 4.1Å; W323-I362 HydrophobicContact CH2-CG2 4.4Å; W323-I362 HydrophobicContact CZ3-CG2 3.81Å
324Q92.5Very high92.8Very high145 Ų14549.5 Ų49.568%0.67825%0.254SS*.THydrogen-bonded Turntrans52.530-178.4-58.1-174.53.600114.4
325G92.5Very high93.1Very high65 Ų6542.7 Ų42.767%0.6724%0.239SC*.THydrogen-bonded Turntrans94.1-15.5-178.800000114.5W323W323-G325 PolarHBondContact O-N 3.06Å; W323-G325 VanDerWaalsContact O-N 3.08Å
326D95.3Very high93.3Very high110 Ų11052.2 Ų52.259%0.58828%0.275SS*.EExtended strand (participates in β ladder)trans-90.6144.9178.8-67.5-39.8000111.8V322 W323V322-D326 CarbonylContact C-O 3.32Å; V322-D326 WeakPolarHBondContact CA-O 3.32Å; W323-D326 PolarHBondContact N-O 3.32Å; W323-D326 PolarHBondContact O-N 3.25Å
327L97Very high93.2Very high70 Ų7053.6 Ų53.637%0.36628%0.278SS..EExtended strand (participates in β ladder)trans-75.6129.8174.3-65.9175000110.5R320 V322 Y381R320-L327 VanDerWaalsContact NH2-CD2 3.33Å; V322-L327 HydrophobicContact CG2-CD2 4.07Å; L327-Y381 HydrophobicContact CB-CD1 3.9Å; L327-Y381 HydrophobicContact CB-CG 4.38Å; L327-Y381 HydrophobicContact CD1-CD1 3.96Å; L327-Y381 HydrophobicContact CD1-CE1 4.36Å; L327-Y381 HydrophobicContact CG-CD1 4.46Å; L327-Y381 PolarHBondContact O-N 3.46Å
328V97.9Very high92.8Very high1 Ų157.7 Ų57.71%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-129.8152.1-179.6-60.10000111.7V304 G321 W323 I362 I378 T379V304-V328 HydrophobicContact CG1-CG2 3.9Å; V304-V328 HydrophobicContact CG2-CG2 4.4Å; G321-V328 PolarHBondContact N-O 2.91Å; G321-V328 PolarHBondContact O-N 2.92Å; W323-V328 HydrophobicContact CB-CG1 3.95Å; W323-V328 HydrophobicContact CB-CG2 4.14Å; V328-I362 HydrophobicContact CB-CD1 4.28Å; V328-I362 HydrophobicContact CG1-CD1 3.52Å; V328-I378 HydrophobicContact CB-CG2 3.93Å; V328-I378 HydrophobicContact CG1-CG2 4.29Å; V328-I378 HydrophobicContact CG2-CG2 4.22Å; V328-T379 CarbonylContact C-O 3.54Å; V328-T379 WeakPolarHBondContact CA-O 3.43Å
329A97.5Very high92.3Very high9 Ų965.5 Ų65.57%0.07432%0.32CS..EExtended strand (participates in β ladder)trans-106.8118.3170.500000109.2V318 W319 I378 T379 Y381V318-A329 HydrophobicContact CG1-CB 4.37Å; W319-A329 CarbonylContact O-C 3.52Å; W319-A329 WeakPolarHBondContact O-CA 3.25Å; A329-I378 WeakPolarHBondContact O-CA 3.39Å; A329-T379 PolarHBondContact N-O 2.82Å; A329-T379 PolarHBondContact O-N 3.3Å; A329-T379 PolarHBondContact O-OG1 2.92Å; A329-Y381 HydrophobicContact CB-CD2 4.3Å
330A96.7Very high91.6Very high0 Ų062.6 Ų62.60%031%0.311CS..EExtended strand (participates in β ladder)trans-105.8107.9178.300000110.2L306 V318 W319 W376 L377L306-A330 HydrophobicContact CD2-CB 3.96Å; V318-A330 WeakPolarHBondContact CA-O 3.26Å; W319-A330 PolarHBondContact N-O 2.84Å; W319-A330 PolarHBondContact O-N 2.89Å; A330-W376 HydrophobicContact CB-CE3 3.85Å; A330-W376 HydrophobicContact CB-CZ3 3.91Å; A330-L377 WeakPolarHBondContact CA-O 3.4Å
331K95.5Very high91.2Very high29 Ų2961.8 Ų61.813%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-86.3113.7169.8-171.9178.1-176.6-174.90108.2V318 F333 E344 L377 D450V318-K331 HydrophobicContact CG2-CB 4.26Å; V318-K331 HydrophobicContact CG2-CG 4.07Å; K331-F333 HydrophobicContact CB-CE2 4.02Å; K331-F333 HydrophobicContact CD-CE1 4.37Å; K331-F333 HydrophobicContact CD-CE2 3.71Å; K331-F333 HydrophobicContact CD-CZ 3.46Å; K331-F333 VanDerWaalsContact CD-CZ 3.46Å; K331-F333 VanDerWaalsContact CE-CZ 3.42Å; K331-F333 HydrophobicContact CG-CD2 4.24Å; K331-F333 HydrophobicContact CG-CE2 3.51Å; K331-F333 HydrophobicContact CG-CZ 3.74Å; K331-E344 IonicContact NZ-OE1 2.93Å; K331-E344 PolarHBondContact NZ-OE1 2.67Å; K331-E344 IonicContact NZ-OE2 3.62Å; K331-E344 PolarHBondContact NZ-OE2 2.73Å; K331-L377 HydrophobicContact CB-CB 4.36Å; K331-L377 PolarHBondContact N-O 3.35Å; K331-L377 PolarHBondContact O-N 3.47Å; K331-D450 IonicContact NZ-OD1 3.96Å; K331-D450 PolarHBondContact NZ-OD1 3.39Å
332I94.5Very high90.7Very high18 Ų1868 Ų689%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-106.5115.5-174.4-53.5176.9000108.6L306 G316 V317 W319 Q374 L375 W376L306-I332 HydrophobicContact CD1-CD1 3.73Å; G316-I332 CarbonylContact C-O 3.49Å; G316-I332 WeakPolarHBondContact CA-O 3.4Å; V317-I332 PolarHBondContact N-O 2.93Å; V317-I332 PolarHBondContact O-N 3.44Å; W319-I332 HydrophobicContact CG-CD1 4.35Å; I332-Q374 HydrophobicContact CG2-CB 3.85Å; I332-Q374 HydrophobicContact CG2-CG 4.05Å; I332-L375 WeakPolarHBondContact CA-O 3.44Å; I332-W376 HydrophobicContact CD1-CD2 4.28Å; I332-W376 HydrophobicContact CD1-CH2 3.97Å; I332-W376 HydrophobicContact CD1-CZ2 3.59Å; I332-W376 HydrophobicContact CD1-CZ3 4.42Å; I332-W376 HydrophobicContact CG1-CD2 4.02Å; I332-W376 HydrophobicContact CG1-CE3 4.43Å; I332-W376 HydrophobicContact CG1-CG 4.39Å; I332-W376 HydrophobicContact CG1-CZ2 4.24Å
333F91.8Very high90.2Very high3 Ų369.3 Ų69.31%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-98.7149.4-179.7-59.1-109.6000110.4Y315 K331 D337 W341 E344 L375 L377Y315-F333 WeakPolarHBondContact O-CD1 3.42Å; K331-F333 HydrophobicContact CB-CE2 4.02Å; K331-F333 HydrophobicContact CD-CE1 4.37Å; K331-F333 HydrophobicContact CD-CE2 3.71Å; K331-F333 HydrophobicContact CD-CZ 3.46Å; K331-F333 VanDerWaalsContact CD-CZ 3.46Å; K331-F333 VanDerWaalsContact CE-CZ 3.42Å; K331-F333 HydrophobicContact CG-CD2 4.24Å; K331-F333 HydrophobicContact CG-CE2 3.51Å; K331-F333 HydrophobicContact CG-CZ 3.74Å; F333-D337 HydrophobicContact CD1-CB 4.36Å; F333-W341 HydrophobicContact CB-CB 4.26Å; F333-W341 HydrophobicContact CD1-CB 4.01Å; F333-W341 HydrophobicContact CD2-CB 4.05Å; F333-W341 AromaticContact CD2-CD1 3.51Å; F333-W341 HydrophobicContact CD2-CG 4.14Å; F333-W341 HydrophobicContact CE1-CB 4.31Å; F333-W341 HydrophobicContact CE2-CB 4.34Å; F333-W341 AromaticContact CE2-CD1 3.69Å; F333-W341 HydrophobicContact CE2-CG 4.43Å; F333-W341 HydrophobicContact CG-CB 3.87Å; F333-W341 HydrophobicContact CG-CG 4.4Å; F333-W341 HydrophobicContact CZ-CB 4.45Å; F333-E344 WeakPolarHBondContact CZ-OE2 3.42Å; F333-L375 HydrophobicContact CB-CB 4.2Å; F333-L375 PolarHBondContact N-O 3.09Å; F333-L375 PolarHBondContact O-N 3.21Å; F333-L375 VanDerWaalsContact O-N 3.12Å; F333-L377 HydrophobicContact CE2-CB 3.93Å; F333-L377 HydrophobicContact CE2-CD2 4.46Å
334S87Confident90Very high48 Ų4867 Ų6734%0.33633%0.329SS..EExtended strand (participates in β ladder)trans-73.1153.7165.988.40000109.9R336 D337S334-R336 PolarHBondContact O-N 3.34Å; S334-R336 VanDerWaalsContact O-N 3.09Å; S334-R336 WeakPolarHBondContact OG-CB 3.17Å; S334-R336 PolarHBondContact OG-N 3.25Å; S334-D337 PolarHBondContact O-N 3.34Å; S334-D337 PolarHBondContact OG-OD2 2.94Å
335S82.7Confident90Very high66 Ų6660.4 Ų60.446%0.46230%0.298SS..G310 helixtrans-60.7-16.7172.557.10000113.6D337 E338S335-D337 VanDerWaalsContact C-N 3.28Å; S335-E338 WeakPolarHBondContact O-CB 3.28Å
336R81.8Confident90Very high232 Ų23260 Ų6088%0.87528%0.281SS*.G310 helixtrans-73.5-23.3174.3-57.5177.1178.3173.5-0.8112.4S334S334-R336 PolarHBondContact O-N 3.34Å; S334-R336 VanDerWaalsContact O-N 3.09Å; S334-R336 WeakPolarHBondContact OG-CB 3.17Å; S334-R336 PolarHBondContact OG-N 3.25Å
337D82.6Confident89.8Confident45 Ų4554.9 Ų54.924%0.24125%0.253CS..G310 helixtrans-100.419.5-179.6-58.6-68.8000112.1F333 S334 S335 R339 S340 W341F333-D337 HydrophobicContact CD1-CB 4.36Å; S334-D337 PolarHBondContact O-N 3.34Å; S334-D337 PolarHBondContact OG-OD2 2.94Å; S335-D337 VanDerWaalsContact C-N 3.28Å; D337-R339 PolarHBondContact O-N 3.39Å; D337-R339 VanDerWaalsContact O-N 3.15Å; D337-S340 WeakPolarHBondContact O-CB 3.35Å; D337-S340 PolarHBondContact O-N 3.04Å; D337-W341 PolarHBondContact O-N 3.5Å; D337-W341 VanDerWaalsContact O-N 3.13Å
338E84.4Confident89.7Confident116 Ų11652.2 Ų52.254%0.54224%0.239SC..Hα-helixtrans-52.6-38-177.7-178.9177.2-160.700112.8S335 S340 W341 F342 L375S335-E338 WeakPolarHBondContact O-CB 3.28Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.5Å; E338-W341 PolarHBondContact O-N 3.4Å; E338-F342 VanDerWaalsContact O-CB 3.25Å; E338-F342 WeakPolarHBondContact O-CB 3.25Å; E338-F342 PolarHBondContact O-N 2.79Å; E338-L375 HydrophobicContact CB-CD1 3.76Å; E338-L375 HydrophobicContact CG-CD1 3.86Å
339R83.4Confident89.5Confident203 Ų20357.8 Ų57.877%0.76627%0.265SS*.Hα-helixtrans-61.7-39.2177.1-67.8-175.8-176.2170.51.6112.8D337 R343D337-R339 PolarHBondContact O-N 3.39Å; D337-R339 VanDerWaalsContact O-N 3.15Å; R339-R343 WeakPolarHBondContact O-CB 3.07Å; R339-R343 PolarHBondContact O-N 3.17Å
340S82.5Confident89.1Confident15 Ų1558.1 Ų58.111%0.10527%0.266CS..Hα-helixtrans-71-43.3178.2-62.60000110.9Y315 D337 E338 R343 E344Y315-S340 VanDerWaalsContact CD1-OG 3.28Å; Y315-S340 WeakPolarHBondContact CD1-OG 3.28Å; Y315-S340 VanDerWaalsContact CE1-OG 3.23Å; Y315-S340 WeakPolarHBondContact CE1-OG 3.49Å; D337-S340 WeakPolarHBondContact O-CB 3.35Å; D337-S340 PolarHBondContact O-N 3.04Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.5Å; S340-R343 PolarHBondContact O-N 3.47Å; S340-E344 WeakPolarHBondContact O-CB 3.31Å; S340-E344 PolarHBondContact O-N 3.4Å
341W88.7Confident88.6Confident38 Ų3861.4 Ų61.414%0.14429%0.286CS..Hα-helixtrans-62.2-44.7175.1174.182.2000112F333 D337 E338 E344 T345 A364 L375 W376F333-W341 HydrophobicContact CB-CB 4.26Å; F333-W341 HydrophobicContact CD1-CB 4.01Å; F333-W341 HydrophobicContact CD2-CB 4.05Å; F333-W341 AromaticContact CD2-CD1 3.51Å; F333-W341 HydrophobicContact CD2-CG 4.14Å; F333-W341 HydrophobicContact CE1-CB 4.31Å; F333-W341 HydrophobicContact CE2-CB 4.34Å; F333-W341 AromaticContact CE2-CD1 3.69Å; F333-W341 HydrophobicContact CE2-CG 4.43Å; F333-W341 HydrophobicContact CG-CB 3.87Å; F333-W341 HydrophobicContact CG-CG 4.4Å; F333-W341 HydrophobicContact CZ-CB 4.45Å; D337-W341 PolarHBondContact O-N 3.5Å; D337-W341 VanDerWaalsContact O-N 3.13Å; E338-W341 PolarHBondContact O-N 3.4Å; W341-E344 PolarHBondContact O-N 2.73Å; W341-T345 VanDerWaalsContact O-CB 3.22Å; W341-T345 WeakPolarHBondContact O-CB 3.44Å; W341-T345 PolarHBondContact O-N 3.37Å; W341-T345 PolarHBondContact O-OG1 3.49Å; W341-A364 HydrophobicContact CZ2-CB 3.78Å; W341-L375 HydrophobicContact CB-CB 4.32Å; W341-L375 HydrophobicContact CB-CD1 4.19Å; W341-L375 HydrophobicContact CD2-CB 3.78Å; W341-L375 HydrophobicContact CD2-CD1 4.09Å; W341-L375 HydrophobicContact CD2-CD2 4.47Å; W341-L375 HydrophobicContact CD2-CG 4.33Å; W341-L375 HydrophobicContact CE3-CB 4.39Å; W341-L375 HydrophobicContact CE3-CD1 3.99Å; W341-L375 HydrophobicContact CE3-CD2 4.33Å; W341-L375 HydrophobicContact CE3-CG 4.47Å; W341-L375 HydrophobicContact CG-CB 3.71Å; W341-L375 HydrophobicContact CG-CD1 4.19Å; W341-L375 HydrophobicContact CZ3-CD2 4.35Å; W341-W376 PolarHBondContact NE1-O 2.81Å
342F88.1Confident88.4Confident130 Ų13064 Ų6457%0.5730%0.299SS*.Hα-helixtrans-60.7-49178.2177.4-94.9000110.9E338 E344 T345 D346E338-F342 VanDerWaalsContact O-CB 3.25Å; E338-F342 WeakPolarHBondContact O-CB 3.25Å; E338-F342 PolarHBondContact O-N 2.79Å; F342-E344 PolarHBondContact O-N 3.35Å; F342-T345 PolarHBondContact O-N 3.15Å; F342-D346 VanDerWaalsContact O-CB 3.23Å; F342-D346 WeakPolarHBondContact O-CB 3.23Å; F342-D346 PolarHBondContact O-N 3.06Å
343R86.3Confident88.3Confident60 Ų6063.3 Ų63.323%0.22630%0.296CS..Hα-helixtrans-59.3-50.9178.2-172-171.7-59.7137.8-1.7111.3R339 S340 T345 D346 I347 G452R339-R343 WeakPolarHBondContact O-CB 3.07Å; R339-R343 PolarHBondContact O-N 3.17Å; S340-R343 PolarHBondContact O-N 3.47Å; R343-T345 VanDerWaalsContact C-N 3.31Å; R343-T345 PolarHBondContact O-N 2.97Å; R343-D346 PolarHBondContact O-N 3.45Å; R343-I347 VanDerWaalsContact O-CG1 3.27Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.15Å; R343-G452 WeakPolarHBondContact CD-O 3.43Å; R343-G452 PolarHBondContact NH1-O 3.01Å
344E91.7Very high88.4Confident4 Ų473.5 Ų73.52%0.01933%0.334CS..Hα-helixtrans-62.3-41.3-178.1-166.2168.3-179.800111.6K331 F333 S340 W341 F342 I347 Y348 L377 L451K331-E344 IonicContact NZ-OE1 2.93Å; K331-E344 PolarHBondContact NZ-OE1 2.67Å; K331-E344 IonicContact NZ-OE2 3.62Å; K331-E344 PolarHBondContact NZ-OE2 2.73Å; F333-E344 WeakPolarHBondContact CZ-OE2 3.42Å; S340-E344 WeakPolarHBondContact O-CB 3.31Å; S340-E344 PolarHBondContact O-N 3.4Å; W341-E344 PolarHBondContact O-N 2.73Å; F342-E344 PolarHBondContact O-N 3.35Å; E344-I347 PolarHBondContact O-N 3.12Å; E344-Y348 HydrophobicContact CG-CD2 3.95Å; E344-Y348 HydrophobicContact CG-CE2 3.73Å; E344-Y348 WeakPolarHBondContact O-CD2 3.35Å; E344-Y348 PolarHBondContact O-N 2.93Å; E344-L377 HydrophobicContact CB-CD2 4.33Å; E344-L377 VanDerWaalsContact CD-CD2 3.42Å; E344-L377 HydrophobicContact CG-CD2 3.64Å; E344-L451 HydrophobicContact CG-CB 4.34Å; E344-L451 PolarHBondContact OE1-N 3.35Å
345T92.2Very high88.9Confident6 Ų674 Ų744%0.03733%0.331CS..Hα-helixtrans-64.8-45.8176.1-60.30000112W341 F342 R343 I347 Y348 Q349 A364W341-T345 VanDerWaalsContact O-CB 3.22Å; W341-T345 WeakPolarHBondContact O-CB 3.44Å; W341-T345 PolarHBondContact O-N 3.37Å; W341-T345 PolarHBondContact O-OG1 3.49Å; F342-T345 PolarHBondContact O-N 3.15Å; R343-T345 VanDerWaalsContact C-N 3.31Å; R343-T345 PolarHBondContact O-N 2.97Å; T345-I347 VanDerWaalsContact C-N 3.27Å; T345-I347 PolarHBondContact O-N 3Å; T345-Y348 PolarHBondContact O-N 3.25Å; T345-Y348 VanDerWaalsContact O-N 3.16Å; T345-Q349 HydrophobicContact CG2-CG 4.21Å; T345-Q349 WeakPolarHBondContact O-CB 2.79Å; T345-Q349 WeakPolarHBondContact O-CG 3.46Å; T345-Q349 PolarHBondContact O-N 3.06Å; T345-A364 HydrophobicContact CG2-CB 3.38Å
346D91.9Very high89.6Confident57 Ų5774.1 Ų74.131%0.30534%0.336SS..Hα-helixtrans-61.3-36.5177.8174.161.3000111.8F342 R343 T350 K456F342-D346 VanDerWaalsContact O-CB 3.23Å; F342-D346 WeakPolarHBondContact O-CB 3.23Å; F342-D346 PolarHBondContact O-N 3.06Å; R343-D346 PolarHBondContact O-N 3.45Å; D346-T350 PolarHBondContact O-N 3.39Å; D346-T350 PolarHBondContact O-OG1 2.92Å; D346-K456 PolarHBondContact O-NZ 2.87Å; D346-K456 IonicContact OD1-NZ 2.72Å; D346-K456 PolarHBondContact OD1-NZ 3.49Å; D346-K456 IonicContact OD2-NZ 3.94Å; D346-K456 PolarHBondContact OD2-NZ 3.3Å
347I92.4Very high90.4Very high3 Ų363.4 Ų63.42%0.01530%0.296CS..Hα-helixtrans-64.4-55171-62.6-69.8000109.6R343 E344 T345 Q349 T350 L353 I428 L451 A454 K456R343-I347 VanDerWaalsContact O-CG1 3.27Å; R343-I347 WeakPolarHBondContact O-CG1 3.45Å; R343-I347 PolarHBondContact O-N 3.15Å; E344-I347 PolarHBondContact O-N 3.12Å; T345-I347 VanDerWaalsContact C-N 3.27Å; T345-I347 PolarHBondContact O-N 3Å; I347-Q349 PolarHBondContact O-N 3.36Å; I347-T350 WeakPolarHBondContact O-CB 3.44Å; I347-T350 PolarHBondContact O-N 2.7Å; I347-T350 PolarHBondContact O-OG1 3.28Å; I347-L353 HydrophobicContact CG2-CD2 4.21Å; I347-L353 WeakPolarHBondContact O-CD2 3.47Å; I347-I428 HydrophobicContact CG2-CD1 4.42Å; I347-L451 HydrophobicContact CB-CB 4.32Å; I347-L451 HydrophobicContact CG2-CB 3.87Å; I347-L451 HydrophobicContact CG2-CD1 3.58Å; I347-L451 HydrophobicContact CG2-CG 4.28Å; I347-A454 HydrophobicContact CD1-CB 4.15Å; I347-A454 HydrophobicContact CG1-CB 4.06Å; I347-A454 HydrophobicContact CG2-CB 4.12Å; I347-K456 HydrophobicContact CD1-CD 4.36Å; I347-K456 HydrophobicContact CD1-CG 3.83Å
348Y94.4Very high91.2Very high14 Ų1461.7 Ų61.76%0.05529%0.287CS..Hα-helixtrans-59.4-30.6-178.2-83.2-62.5000114.4E344 T345 T350 L353 F361 L377 L451E344-Y348 HydrophobicContact CG-CD2 3.95Å; E344-Y348 HydrophobicContact CG-CE2 3.73Å; E344-Y348 WeakPolarHBondContact O-CD2 3.35Å; E344-Y348 PolarHBondContact O-N 2.93Å; T345-Y348 PolarHBondContact O-N 3.25Å; T345-Y348 VanDerWaalsContact O-N 3.16Å; Y348-T350 PolarHBondContact O-N 2.9Å; Y348-L353 HydrophobicContact CD1-CD2 4.45Å; Y348-F361 VanDerWaalsContact CB-CD2 3.48Å; Y348-F361 HydrophobicContact CD1-CB 3.67Å; Y348-F361 HydrophobicContact CD1-CD2 4.45Å; Y348-F361 HydrophobicContact CD1-CG 4.37Å; Y348-F361 HydrophobicContact CD2-CD2 4.25Å; Y348-F361 HydrophobicContact CE1-CB 4.43Å; Y348-F361 HydrophobicContact CG-CB 3.92Å; Y348-F361 AromaticContact CG-CD2 3.84Å; Y348-F361 HydrophobicContact CG-CD2 3.84Å; Y348-F361 HydrophobicContact CG-CG 4.12Å; Y348-L377 HydrophobicContact CD2-CD1 4.12Å; Y348-L377 HydrophobicContact CD2-CD2 4.16Å; Y348-L377 HydrophobicContact CE2-CD2 3.98Å; Y348-L451 HydrophobicContact CD1-CD1 3.92Å; Y348-L451 HydrophobicContact CE1-CD1 3.6Å; Y348-L451 HydrophobicContact CE1-CG 4.27Å; Y348-L451 HydrophobicContact CE2-CB 4.3Å; Y348-L451 HydrophobicContact CE2-CD1 4.24Å; Y348-L451 HydrophobicContact CE2-CG 4.32Å; Y348-L451 HydrophobicContact CG-CD1 4.39Å
349Q92.9Very high91.9Very high118 Ų11856.9 Ų56.955%0.55127%0.265SS*.THydrogen-bonded Turntrans-81.32.2176.9-70.1178.5-18.800113.7T345 I347 V351 F361T345-Q349 HydrophobicContact CG2-CG 4.21Å; T345-Q349 WeakPolarHBondContact O-CB 2.79Å; T345-Q349 WeakPolarHBondContact O-CG 3.46Å; T345-Q349 PolarHBondContact O-N 3.06Å; I347-Q349 PolarHBondContact O-N 3.36Å; Q349-V351 PolarHBondContact O-N 3.12Å; Q349-F361 HydrophobicContact CG-CE1 4.03Å; Q349-F361 HydrophobicContact CG-CZ 3.99Å
350T90.2Very high92.5Very high16 Ų1647.8 Ų47.810%0.09823%0.234CC..SBendtrans-60.5131.2174.6-53.40000110.6D346 I347 Y348 M352 L353 K425 P426 I428 K456D346-T350 PolarHBondContact O-N 3.39Å; D346-T350 PolarHBondContact O-OG1 2.92Å; I347-T350 WeakPolarHBondContact O-CB 3.44Å; I347-T350 PolarHBondContact O-N 2.7Å; I347-T350 PolarHBondContact O-OG1 3.28Å; Y348-T350 PolarHBondContact O-N 2.9Å; T350-M352 PolarHBondContact O-N 3.26Å; T350-L353 VanDerWaalsContact O-CB 3.23Å; T350-L353 WeakPolarHBondContact O-CB 3.39Å; T350-L353 PolarHBondContact O-N 3.46Å; T350-K425 HydrophobicContact CG2-CG 4.05Å; T350-P426 HydrophobicContact CG2-CG 4.41Å; T350-I428 HydrophobicContact CG2-CD1 4.4Å; T350-K456 WeakPolarHBondContact OG1-CE 3.13Å; T350-K456 PolarHBondContact OG1-NZ 2.84Å
351V86.9Confident93.2Very high69 Ų6949.3 Ų49.342%0.41824%0.239SC..THydrogen-bonded Turntrans-56.4140.7176.4-178.70000110.4Q349 L353 Q423 K425Q349-V351 PolarHBondContact O-N 3.12Å; V351-L353 PolarHBondContact O-N 3.4Å; V351-Q423 HydrophobicContact CG1-CB 3.91Å; V351-Q423 VanDerWaalsContact CG1-O 3.25Å; V351-Q423 WeakPolarHBondContact CG1-O 3.43Å; V351-Q423 HydrophobicContact CG2-CB 4.48Å; V351-K425 WeakPolarHBondContact O-CB 3.47Å; V351-K425 WeakPolarHBondContact O-CG 3.44Å
352M89.7Confident93.5Very high83 Ų8349.9 Ų49.941%0.40924%0.244SC..THydrogen-bonded Turntrans60.319-179.8-70.1-174.8-83.800115.6T350 H414 I419 Q423 K425T350-M352 PolarHBondContact O-N 3.26Å; M352-H414 PolarHBondContact O-CE1 3.05Å; M352-H414 PolarHBondContact O-NE2 3.06Å; M352-H414 VanDerWaalsContact O-NE2 3.12Å; M352-I419 HydrophobicContact CB-CD1 4.33Å; M352-I419 HydrophobicContact CE-CB 4.43Å; M352-I419 HydrophobicContact CE-CG2 3.94Å; M352-I419 HydrophobicContact SD-CB 4.5Å; M352-I419 HydrophobicContact SD-CG2 3.73Å; M352-Q423 WeakPolarHBondContact CE-O 3.44Å; M352-K425 HydrophobicContact CB-CB 4.12Å
353L93.5Very high93.8Very high4 Ų444.4 Ų44.42%0.02122%0.223CC..  trans-77.1-22.8175.8-175.662.9000114.5I347 Y348 T350 V351 H355 H414 L415 I428 L451I347-L353 HydrophobicContact CG2-CD2 4.21Å; I347-L353 WeakPolarHBondContact O-CD2 3.47Å; Y348-L353 HydrophobicContact CD1-CD2 4.45Å; T350-L353 VanDerWaalsContact O-CB 3.23Å; T350-L353 WeakPolarHBondContact O-CB 3.39Å; T350-L353 PolarHBondContact O-N 3.46Å; V351-L353 PolarHBondContact O-N 3.4Å; L353-H355 PolarHBondContact O-N 3.38Å; L353-H414 PolarHBondContact O-NE2 3.37Å; L353-H414 VanDerWaalsContact O-NE2 3.12Å; L353-L415 HydrophobicContact CD1-CD2 3.66Å; L353-I428 HydrophobicContact CD1-CD1 3.87Å; L353-L451 HydrophobicContact CD2-CD1 4.35Å
354R94.4Very high94.1Very high217 Ų21742.9 Ų42.982%0.81922%0.223SC*.  trans-62.7123.8-176.2-174.1178.4178.9108.71.5110.7
355H97.2Very high94.2Very high57 Ų5743.7 Ų43.726%0.26423%0.228SC..  trans-153.7148.1-179.1-179.6-92.8000110.6L353 N357 I358 H414L353-H355 PolarHBondContact O-N 3.38Å; H355-N357 PolarHBondContact CE1-OD1 2.93Å; H355-N357 PolarHBondContact ND1-N 3.14Å; H355-N357 VanDerWaalsContact ND1-N 3.13Å; H355-N357 PolarHBondContact O-N 3.41Å; H355-I358 HydrophobicContact CB-CB 4.32Å; H355-I358 HydrophobicContact CB-CG1 3.97Å; H355-I358 PolarHBondContact O-N 3.05Å; H355-H414 HydrophobicContact CB-CB 4.44Å; H355-H414 AromaticContact CD2-CG 3.92Å; H355-H414 AromaticContact CG-CG 3.82Å
356A97.6Very high94.1Very high70 Ų7047.8 Ų47.858%0.57925%0.249SC*.THydrogen-bonded Turntrans-62.9-18.7-173.500000115.1K441A356-K441 PolarHBondContact O-NZ 3.5Å
357N98.7Very high93.9Very high6 Ų647.5 Ų47.53%0.03225%0.245CC..THydrogen-bonded Turntrans-113.921.3176.7-49.5118.2000113H355 S407 N410 G411 E445 C446 C447 I448H355-N357 PolarHBondContact CE1-OD1 2.93Å; H355-N357 PolarHBondContact ND1-N 3.14Å; H355-N357 VanDerWaalsContact ND1-N 3.13Å; H355-N357 PolarHBondContact O-N 3.41Å; N357-S407 WeakPolarHBondContact CB-O 3.09Å; N357-S407 VanDerWaalsContact CG-O 3.3Å; N357-S407 WeakPolarHBondContact ND2-CB 3.25Å; N357-N410 HydrophobicContact CB-CB 4.45Å; N357-N410 VanDerWaalsContact OD1-CB 3.29Å; N357-N410 WeakPolarHBondContact OD1-CB 3.36Å; N357-G411 WeakPolarHBondContact O-CA 3.27Å; N357-E445 PolarHBondContact ND2-OE2 3.12Å; N357-C446 WeakPolarHBondContact CB-O 3.25Å; N357-C446 PolarHBondContact ND2-O 2.85Å; N357-C447 VanDerWaalsContact O-CA 3.3Å; N357-C447 WeakPolarHBondContact O-CA 3.42Å; N357-I448 PolarHBondContact O-N 2.77Å
358I98.5Very high93.6Very high9 Ų952.1 Ų52.15%0.04627%0.27CS..BIsolated β-bridgetrans-118.1137.7164.5-60-60.7000106.9H355 G360 L415 I448H355-I358 HydrophobicContact CB-CB 4.32Å; H355-I358 HydrophobicContact CB-CG1 3.97Å; H355-I358 PolarHBondContact O-N 3.05Å; I358-G360 PolarHBondContact O-N 3.06Å; I358-L415 HydrophobicContact CD1-CD1 3.87Å; I358-L415 HydrophobicContact CD1-CD2 4.02Å; I358-L415 HydrophobicContact CD1-CG 3.67Å; I358-I448 HydrophobicContact CD1-CB 4.07Å
359L98.2Very high93Very high15 Ų1554.4 Ų54.48%0.07929%0.286CS..  trans-55127.5-178.3-178.856.1000110.4F361 T379 D380 L439 I448L359-F361 PolarHBondContact O-N 2.79Å; L359-F361 VanDerWaalsContact O-N 3.14Å; L359-T379 HydrophobicContact CD2-CG2 4.01Å; L359-T379 HydrophobicContact CG-CG2 4.13Å; L359-D380 HydrophobicContact CD1-CB 4.45Å; L359-L439 HydrophobicContact CD1-CD1 3.79Å; L359-L439 HydrophobicContact CD2-CD1 4.02Å; L359-L439 HydrophobicContact CG-CD1 4.49Å; L359-I448 WeakPolarHBondContact CB-O 3.44Å; L359-I448 PolarHBondContact N-O 3.13Å
360G97.2Very high92.5Very high12 Ų1252 Ų5212%0.12429%0.293CS..  trans-67.4112.1-176.600000111.3I358 T379 D380I358-G360 PolarHBondContact O-N 3.06Å; G360-T379 CarbonylContact O-C 3.59Å; G360-T379 WeakPolarHBondContact O-CA 3.34Å; G360-T379 VanDerWaalsContact O-CB 3.31Å; G360-T379 WeakPolarHBondContact O-CB 3.17Å; G360-D380 WeakPolarHBondContact CA-OD2 3.36Å; G360-D380 PolarHBondContact O-N 3.33Å
361F96.2Very high92Very high48 Ų4859.4 Ų59.421%0.21133%0.331CS..EExtended strand (participates in β ladder)trans-74.5130.4169.3173.2-101.2000110.4Y348 Q349 L359 A363 A364 L377Y348-F361 VanDerWaalsContact CB-CD2 3.48Å; Y348-F361 HydrophobicContact CD1-CB 3.67Å; Y348-F361 HydrophobicContact CD1-CD2 4.45Å; Y348-F361 HydrophobicContact CD1-CG 4.37Å; Y348-F361 HydrophobicContact CD2-CD2 4.25Å; Y348-F361 HydrophobicContact CE1-CB 4.43Å; Y348-F361 HydrophobicContact CG-CB 3.92Å; Y348-F361 AromaticContact CG-CD2 3.84Å; Y348-F361 HydrophobicContact CG-CD2 3.84Å; Y348-F361 HydrophobicContact CG-CG 4.12Å; Q349-F361 HydrophobicContact CG-CE1 4.03Å; Q349-F361 HydrophobicContact CG-CZ 3.99Å; L359-F361 PolarHBondContact O-N 2.79Å; L359-F361 VanDerWaalsContact O-N 3.14Å; F361-A363 VanDerWaalsContact CE2-C 3.49Å; F361-A363 VanDerWaalsContact CZ-C 3.49Å; F361-A364 HydrophobicContact CE2-CB 4.04Å; F361-A364 HydrophobicContact CZ-CB 4.07Å; F361-L377 HydrophobicContact CD2-CD1 3.7Å; F361-L377 HydrophobicContact CE2-CD1 3.49Å; F361-L377 VanDerWaalsContact CE2-CD1 3.49Å
362I94.9Very high91.8Very high50 Ų5058.9 Ų58.926%0.25633%0.33SS..EExtended strand (participates in β ladder)trans-104.8-58.3177.6-60.2176.3000109.5W323 V328 I378W323-I362 HydrophobicContact CE3-CG2 4.1Å; W323-I362 HydrophobicContact CH2-CG2 4.4Å; W323-I362 HydrophobicContact CZ3-CG2 3.81Å; V328-I362 HydrophobicContact CB-CD1 4.28Å; V328-I362 HydrophobicContact CG1-CD1 3.52Å; I362-I378 HydrophobicContact CB-CB 4.44Å; I362-I378 HydrophobicContact CB-CG2 4.09Å; I362-I378 WeakPolarHBondContact CB-O 3.32Å; I362-I378 HydrophobicContact CD1-CG2 4.22Å; I362-I378 HydrophobicContact CG2-CG2 4.32Å; I362-I378 PolarHBondContact N-O 3.4Å
363A94.2Very high91.7Very high14 Ų1457.9 Ų57.912%0.11633%0.329CS..EExtended strand (participates in β ladder)trans-159.3157.9-176.400000111.8V300 F361 I378V300-A363 HydrophobicContact CB-CB 4.1Å; V300-A363 HydrophobicContact CG1-CB 3.98Å; V300-A363 HydrophobicContact CG2-CB 4.05Å; F361-A363 VanDerWaalsContact CE2-C 3.49Å; F361-A363 VanDerWaalsContact CZ-C 3.49Å; A363-I378 HydrophobicContact CB-CD1 4.35Å; A363-I378 PolarHBondContact N-O 3.19Å; A363-I378 PolarHBondContact O-N 3.25Å
364A94Very high91.7Very high28 Ų2860.2 Ų60.223%0.23134%0.34CS..EExtended strand (participates in β ladder)trans-123.2138.2162.100000107.8W341 T345 F361 W376 L377W341-A364 HydrophobicContact CZ2-CB 3.78Å; T345-A364 HydrophobicContact CG2-CB 3.38Å; F361-A364 HydrophobicContact CE2-CB 4.04Å; F361-A364 HydrophobicContact CZ-CB 4.07Å; A364-W376 CarbonylContact C-O 3.56Å; A364-W376 VanDerWaalsContact CA-O 3.25Å; A364-W376 WeakPolarHBondContact CA-O 3.48Å; A364-L377 HydrophobicContact CB-CD1 4.43Å
365D93Very high91.6Very high22 Ų2250.3 Ų50.312%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-152161.2-171.8-166.217.5000110.5T299 V300 A301 W376T299-D365 WeakPolarHBondContact CB-OD2 3.22Å; T299-D365 PolarHBondContact OG1-OD2 3.01Å; V300-D365 PolarHBondContact N-OD2 3.2Å; A301-D365 HydrophobicContact CB-CB 3.91Å; A301-D365 WeakPolarHBondContact CB-OD2 3.47Å; A301-D365 PolarHBondContact N-OD2 3.45Å; D365-W376 PolarHBondContact N-O 2.81Å; D365-W376 PolarHBondContact O-N 3.43Å
366N90.1Very high91.6Very high92 Ų9247.7 Ų47.749%0.49229%0.291SS..EExtended strand (participates in β ladder)trans-116.1138.717162.15.4000110.5T373 Q374 L375N366-T373 HydrophobicContact CB-CG2 4.32Å; N366-Q374 CarbonylContact C-O 3.5Å; N366-Q374 WeakPolarHBondContact CA-O 3.22Å; N366-L375 HydrophobicContact CB-CD2 3.89Å
367K87.1Confident91.5Very high51 Ų5144.4 Ų44.422%0.22226%0.264CS..EExtended strand (participates in β ladder)trans-128.2114.9-177.8-172.8178.1-176.9170.50109.2A301 Q374 W376A301-K367 HydrophobicContact CB-CB 4.19Å; A301-K367 HydrophobicContact CB-CD 4.32Å; A301-K367 PolarHBondContact O-NZ 3.37Å; A301-K367 VanDerWaalsContact O-NZ 3.16Å; K367-Q374 PolarHBondContact N-O 2.98Å; K367-Q374 PolarHBondContact O-N 2.99Å; K367-W376 HydrophobicContact CD-CH2 4.49Å; K367-W376 HydrophobicContact CD-CZ2 3.74Å
368D85.8Confident91.4Very high99 Ų9944.1 Ų44.153%0.52926%0.262SS..EExtended strand (participates in β ladder)trans-78.2126167.8-169.21.2000109.6G370D368-G370 PolarHBondContact OD1-N 2.83Å
369T82.2Confident91.3Very high63 Ų6344.3 Ų44.339%0.38726%0.263SS..  trans-100.12177.6590000112.6L371 S372 Q374T369-L371 PolarHBondContact O-N 2.75Å; T369-S372 PolarHBondContact N-O 3.15Å; T369-S372 PolarHBondContact OG1-N 2.95Å; T369-S372 PolarHBondContact OG1-O 3.03Å; T369-Q374 HydrophobicContact CG2-CG 4.08Å
370G81.9Confident91.3Very high68 Ų6846.5 Ų46.570%0.70128%0.275SS*.SBendtrans82.2-25.7-173.200000113.6D368D368-G370 PolarHBondContact OD1-N 2.83Å
371L80Confident91.3Very high170 Ų17048.2 Ų48.289%0.8928%0.278SS*.SBendtrans-98.8-34.2173.5-65.1173.6000112.3T369T369-L371 PolarHBondContact O-N 2.75Å
372S83.3Confident91.3Very high58 Ų5847.4 Ų47.441%0.40628%0.275SS..  trans-159.4154.1-178.761.40000111.5T369T369-S372 PolarHBondContact N-O 3.15Å; T369-S372 PolarHBondContact OG1-N 2.95Å; T369-S372 PolarHBondContact OG1-O 3.03Å
373T87.5Confident91.4Very high63 Ų6348.2 Ų48.239%0.38728%0.283SS..EExtended strand (participates in β ladder)trans-81.4123.2167.4-490000109.5N366N366-T373 HydrophobicContact CB-CG2 4.32Å
374Q92.5Very high91.5Very high53 Ų5349 Ų4925%0.24829%0.286CS..EExtended strand (participates in β ladder)trans-100138.7171.9-65.7-179.8-14.300109.6I332 N366 K367 T369 W376I332-Q374 HydrophobicContact CG2-CB 3.85Å; I332-Q374 HydrophobicContact CG2-CG 4.05Å; N366-Q374 CarbonylContact C-O 3.5Å; N366-Q374 WeakPolarHBondContact CA-O 3.22Å; K367-Q374 PolarHBondContact N-O 2.98Å; K367-Q374 PolarHBondContact O-N 2.99Å; T369-Q374 HydrophobicContact CG2-CG 4.08Å; Q374-W376 VanDerWaalsContact OE1-NE1 3.13Å
375L93.7Very high91.5Very high9 Ų949 Ų495%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-105.2124.5174.1-57.1171.3000108.3I332 F333 E338 W341 N366I332-L375 WeakPolarHBondContact CA-O 3.44Å; F333-L375 HydrophobicContact CB-CB 4.2Å; F333-L375 PolarHBondContact N-O 3.09Å; F333-L375 PolarHBondContact O-N 3.21Å; F333-L375 VanDerWaalsContact O-N 3.12Å; E338-L375 HydrophobicContact CB-CD1 3.76Å; E338-L375 HydrophobicContact CG-CD1 3.86Å; W341-L375 HydrophobicContact CB-CB 4.32Å; W341-L375 HydrophobicContact CB-CD1 4.19Å; W341-L375 HydrophobicContact CD2-CB 3.78Å; W341-L375 HydrophobicContact CD2-CD1 4.09Å; W341-L375 HydrophobicContact CD2-CD2 4.47Å; W341-L375 HydrophobicContact CD2-CG 4.33Å; W341-L375 HydrophobicContact CE3-CB 4.39Å; W341-L375 HydrophobicContact CE3-CD1 3.99Å; W341-L375 HydrophobicContact CE3-CD2 4.33Å; W341-L375 HydrophobicContact CE3-CG 4.47Å; W341-L375 HydrophobicContact CG-CB 3.71Å; W341-L375 HydrophobicContact CG-CD1 4.19Å; W341-L375 HydrophobicContact CZ3-CD2 4.35Å; N366-L375 HydrophobicContact CB-CD2 3.89Å
376W95.8Very high91.8Very high1 Ų148.2 Ų48.20%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-110.9134.5-171.4-73.551.4000109.7A301 V304 L306 A330 I332 W341 A364 D365 K367 Q374 I378A301-W376 HydrophobicContact CB-CB 4.18Å; A301-W376 HydrophobicContact CB-CD2 3.62Å; A301-W376 HydrophobicContact CB-CE3 3.76Å; A301-W376 HydrophobicContact CB-CG 3.81Å; A301-W376 HydrophobicContact CB-CZ3 4.34Å; V304-W376 HydrophobicContact CB-CZ3 4.06Å; V304-W376 HydrophobicContact CG1-CZ3 4.08Å; L306-W376 HydrophobicContact CD1-CH2 3.59Å; L306-W376 HydrophobicContact CD1-CZ2 4.1Å; L306-W376 HydrophobicContact CD1-CZ3 4.45Å; L306-W376 HydrophobicContact CD2-CH2 3.62Å; L306-W376 HydrophobicContact CD2-CZ3 3.65Å; L306-W376 HydrophobicContact CG-CH2 3.65Å; L306-W376 HydrophobicContact CG-CZ3 4.2Å; A330-W376 HydrophobicContact CB-CE3 3.85Å; A330-W376 HydrophobicContact CB-CZ3 3.91Å; I332-W376 HydrophobicContact CD1-CD2 4.28Å; I332-W376 HydrophobicContact CD1-CH2 3.97Å; I332-W376 HydrophobicContact CD1-CZ2 3.59Å; I332-W376 HydrophobicContact CD1-CZ3 4.42Å; I332-W376 HydrophobicContact CG1-CD2 4.02Å; I332-W376 HydrophobicContact CG1-CE3 4.43Å; I332-W376 HydrophobicContact CG1-CG 4.39Å; I332-W376 HydrophobicContact CG1-CZ2 4.24Å; W341-W376 PolarHBondContact NE1-O 2.81Å; A364-W376 CarbonylContact C-O 3.56Å; A364-W376 VanDerWaalsContact CA-O 3.25Å; A364-W376 WeakPolarHBondContact CA-O 3.48Å; D365-W376 PolarHBondContact N-O 2.81Å; D365-W376 PolarHBondContact O-N 3.43Å; K367-W376 HydrophobicContact CD-CH2 4.49Å; K367-W376 HydrophobicContact CD-CZ2 3.74Å; Q374-W376 VanDerWaalsContact OE1-NE1 3.13Å; W376-I378 HydrophobicContact CE3-CD1 4.39Å; W376-I378 HydrophobicContact CE3-CG1 4.39Å
377L95.6Very high92.2Very high2 Ų244 Ų441%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-120.8117.1166.9177.865.8000107.7A330 K331 F333 E344 Y348 F361 A364A330-L377 WeakPolarHBondContact CA-O 3.4Å; K331-L377 HydrophobicContact CB-CB 4.36Å; K331-L377 PolarHBondContact N-O 3.35Å; K331-L377 PolarHBondContact O-N 3.47Å; F333-L377 HydrophobicContact CE2-CB 3.93Å; F333-L377 HydrophobicContact CE2-CD2 4.46Å; E344-L377 HydrophobicContact CB-CD2 4.33Å; E344-L377 VanDerWaalsContact CD-CD2 3.42Å; E344-L377 HydrophobicContact CG-CD2 3.64Å; Y348-L377 HydrophobicContact CD2-CD1 4.12Å; Y348-L377 HydrophobicContact CD2-CD2 4.16Å; Y348-L377 HydrophobicContact CE2-CD2 3.98Å; F361-L377 HydrophobicContact CD2-CD1 3.7Å; F361-L377 HydrophobicContact CE2-CD1 3.49Å; F361-L377 VanDerWaalsContact CE2-CD1 3.49Å; A364-L377 HydrophobicContact CB-CD1 4.43Å
378I96.6Very high92.6Very high0 Ų043.3 Ų43.30%026%0.258CS..EExtended strand (participates in β ladder)trans-111.5128.4-172.2-55.1165.1000108.7V300 V304 V328 A329 I362 A363 W376V300-I378 HydrophobicContact CB-CD1 4.25Å; V300-I378 HydrophobicContact CG1-CD1 3.62Å; V304-I378 HydrophobicContact CG2-CD1 3.78Å; V328-I378 HydrophobicContact CB-CG2 3.93Å; V328-I378 HydrophobicContact CG1-CG2 4.29Å; V328-I378 HydrophobicContact CG2-CG2 4.22Å; A329-I378 WeakPolarHBondContact O-CA 3.39Å; I362-I378 HydrophobicContact CB-CB 4.44Å; I362-I378 HydrophobicContact CB-CG2 4.09Å; I362-I378 WeakPolarHBondContact CB-O 3.32Å; I362-I378 HydrophobicContact CD1-CG2 4.22Å; I362-I378 HydrophobicContact CG2-CG2 4.32Å; I362-I378 PolarHBondContact N-O 3.4Å; A363-I378 HydrophobicContact CB-CD1 4.35Å; A363-I378 PolarHBondContact N-O 3.19Å; A363-I378 PolarHBondContact O-N 3.25Å; W376-I378 HydrophobicContact CE3-CD1 4.39Å; W376-I378 HydrophobicContact CE3-CG1 4.39Å
379T97.4Very high93.1Very high12 Ų1242.3 Ų42.37%0.07425%0.25CS..EExtended strand (participates in β ladder)trans-135.7168-176.855.70000111.1V328 A329 L359 G360V328-T379 CarbonylContact C-O 3.54Å; V328-T379 WeakPolarHBondContact CA-O 3.43Å; A329-T379 PolarHBondContact N-O 2.82Å; A329-T379 PolarHBondContact O-N 3.3Å; A329-T379 PolarHBondContact O-OG1 2.92Å; L359-T379 HydrophobicContact CD2-CG2 4.01Å; L359-T379 HydrophobicContact CG-CG2 4.13Å; G360-T379 CarbonylContact O-C 3.59Å; G360-T379 WeakPolarHBondContact O-CA 3.34Å; G360-T379 VanDerWaalsContact O-CB 3.31Å; G360-T379 WeakPolarHBondContact O-CB 3.17Å
380D97.1Very high93.8Very high62 Ų6239.6 Ų39.633%0.33223%0.233SC..EExtended strand (participates in β ladder)trans-57.3138.1168.9-65.6-24.9000110.5L359 G360L359-D380 HydrophobicContact CD1-CB 4.45Å; G360-D380 WeakPolarHBondContact CA-OD2 3.36Å; G360-D380 PolarHBondContact O-N 3.33Å
381Y97.9Very high94.6Very high47 Ų4736.3 Ų36.318%0.18420%0.199CC..  trans-92130172.2175.9-105.7000111.4I310 R320 L327 A329 P383I310-Y381 HydrophobicContact CD1-CD2 3.96Å; I310-Y381 HydrophobicContact CD1-CE2 3.66Å; I310-Y381 HydrophobicContact CG2-CE2 4.44Å; R320-Y381 HydrophobicContact CB-CD2 4.35Å; R320-Y381 HydrophobicContact CB-CE2 4.12Å; R320-Y381 HydrophobicContact CG-CD1 4.35Å; R320-Y381 HydrophobicContact CG-CD2 4.29Å; R320-Y381 HydrophobicContact CG-CE1 4.19Å; R320-Y381 HydrophobicContact CG-CE2 4.16Å; R320-Y381 HydrophobicContact CG-CG 4.39Å; L327-Y381 HydrophobicContact CB-CD1 3.9Å; L327-Y381 HydrophobicContact CB-CG 4.38Å; L327-Y381 HydrophobicContact CD1-CD1 3.96Å; L327-Y381 HydrophobicContact CD1-CE1 4.36Å; L327-Y381 HydrophobicContact CG-CD1 4.46Å; L327-Y381 PolarHBondContact O-N 3.46Å; A329-Y381 HydrophobicContact CB-CD2 4.3Å; Y381-P383 HydrophobicContact CD1-CG 4.07Å; Y381-P383 HydrophobicContact CE1-CB 3.99Å; Y381-P383 HydrophobicContact CE1-CG 3.78Å
382H97.2Very high95.3Very high32 Ų3231 Ų3115%0.14817%0.17CC..  trans-111.5109.5175.5-68.2-46.7000111L384 G385 L439 C447H382-L384 VanDerWaalsContact C-N 3.26Å; H382-L384 PolarHBondContact O-N 3.34Å; H382-G385 PolarHBondContact O-N 3.26Å; H382-G385 VanDerWaalsContact O-N 3.12Å; H382-L439 HydrophobicContact CB-CB 4.23Å; H382-L439 HydrophobicContact CB-CD1 4.46Å; H382-C447 PolarHBondContact CD2-SG 3.04Å; H382-C447 PolarHBondContact NE2-SG 3.48Å; H382-C447 VanDerWaalsContact NE2-SG 3.38Å
383P95.7Very high95.9Very high66 Ų6633.4 Ų33.443%0.42918%0.175SC..THydrogen-bonded Turntrans-64-21-171.7-24.232.7000116.3Y381 G385 M442Y381-P383 HydrophobicContact CD1-CG 4.07Å; Y381-P383 HydrophobicContact CE1-CB 3.99Å; Y381-P383 HydrophobicContact CE1-CG 3.78Å; P383-G385 PolarHBondContact O-N 2.91Å; P383-M442 HydrophobicContact CB-SD 4.34Å; P383-M442 HydrophobicContact CG-SD 4.33Å
384L96Very high96.2Very high32 Ų3230.9 Ų30.917%0.16816%0.158CC..THydrogen-bonded Turntrans-80-1178.7-59178.1000112.9H382 F390 V440 K441 M442 L625 P626H382-L384 VanDerWaalsContact C-N 3.26Å; H382-L384 PolarHBondContact O-N 3.34Å; L384-F390 HydrophobicContact CB-CD2 4.04Å; L384-F390 HydrophobicContact CB-CE2 4.23Å; L384-F390 HydrophobicContact CD1-CE2 4.05Å; L384-F390 HydrophobicContact CD2-CE2 4.46Å; L384-F390 HydrophobicContact CG-CE2 4.49Å; L384-V440 HydrophobicContact CB-CB 3.98Å; L384-V440 HydrophobicContact CB-CG1 4.27Å; L384-V440 WeakPolarHBondContact CB-O 3.48Å; L384-V440 HydrophobicContact CD1-CB 4.49Å; L384-V440 HydrophobicContact CD1-CG1 3.89Å; L384-K441 WeakPolarHBondContact CD1-O 3.36Å; L384-M442 HydrophobicContact CD1-SD 4.22Å; L384-M442 HydrophobicContact CD2-SD 4.19Å; L384-M442 HydrophobicContact CG-SD 3.87Å; L384-L625 HydrophobicContact CD2-CD2 4.32Å; L384-P626 HydrophobicContact CD1-CG 3.89Å
385G96Very high96.4Very high26 Ų2628.4 Ų28.427%0.26815%0.147SC..  trans72.8-162.8173.900000113.4H382 P383 L439 V440H382-G385 PolarHBondContact O-N 3.26Å; H382-G385 VanDerWaalsContact O-N 3.12Å; P383-G385 PolarHBondContact O-N 2.91Å; G385-L439 WeakPolarHBondContact O-CA 3.36Å; G385-V440 PolarHBondContact O-N 3.45Å
386S97.4Very high96.5Very high7 Ų728.1 Ų28.15%0.04915%0.145CC..BIsolated β-bridgetrans-75.9156.3175.590.80000111.3Y388 E389 F390 R436 I438S386-Y388 PolarHBondContact O-N 3.3Å; S386-Y388 WeakPolarHBondContact OG-CB 3.21Å; S386-Y388 PolarHBondContact OG-N 3.04Å; S386-E389 WeakPolarHBondContact CB-OE2 3.35Å; S386-E389 PolarHBondContact N-OE2 3.16Å; S386-E389 PolarHBondContact O-N 2.96Å; S386-E389 VanDerWaalsContact O-N 3.15Å; S386-E389 VanDerWaalsContact OG-CD 3.28Å; S386-E389 PolarHBondContact OG-OE2 2.87Å; S386-F390 VanDerWaalsContact O-CB 3.31Å; S386-F390 WeakPolarHBondContact O-CB 3.35Å; S386-F390 PolarHBondContact O-N 2.89Å; S386-R436 VanDerWaalsContact CB-O 3.29Å; S386-R436 WeakPolarHBondContact CB-O 3.39Å; S386-I438 CarbonylContact C-O 3.42Å; S386-I438 WeakPolarHBondContact CA-O 3.41Å; S386-I438 WeakPolarHBondContact CB-O 3.42Å
387L98.5Very high96.5Very high2 Ų228 Ų281%0.0115%0.145CC..Hα-helixtrans-56.8-32.6175.6-177.167000110.9F390 L391 I408 S435 I438 V440 V508 V512L387-F390 PolarHBondContact O-N 2.83Å; L387-L391 HydrophobicContact CD1-CD1 3.96Å; L387-L391 HydrophobicContact CD1-CD2 4.14Å; L387-L391 HydrophobicContact CD1-CG 3.8Å; L387-L391 HydrophobicContact CD2-CD1 4.42Å; L387-L391 HydrophobicContact CG-CD1 3.76Å; L387-L391 HydrophobicContact CG-CG 4.03Å; L387-L391 VanDerWaalsContact O-CB 3.26Å; L387-L391 WeakPolarHBondContact O-CB 3.38Å; L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 2.96Å; L387-I408 HydrophobicContact CD2-CD1 3.87Å; L387-S435 WeakPolarHBondContact CB-O 3.48Å; L387-S435 PolarHBondContact N-O 3.46Å; L387-I438 HydrophobicContact CB-CB 4.1Å; L387-I438 HydrophobicContact CB-CG2 4.06Å; L387-I438 HydrophobicContact CD2-CB 4.33Å; L387-I438 HydrophobicContact CD2-CD1 4.34Å; L387-I438 HydrophobicContact CD2-CG2 4.04Å; L387-I438 PolarHBondContact N-O 2.97Å; L387-V440 HydrophobicContact CB-CG2 4.24Å; L387-V440 HydrophobicContact CD1-CG2 3.91Å; L387-V508 HydrophobicContact CD2-CG1 3.83Å; L387-V512 HydrophobicContact CD1-CG2 4.26Å; L387-V512 HydrophobicContact CD2-CG2 3.76Å; L387-V512 HydrophobicContact CG-CG2 4.39Å
388Y97.3Very high96.5Very high38 Ų3828 Ų2815%0.14915%0.145CC..Hα-helixtrans-60.4-51.6174.7171.7-88.5000112.6S386 Q392 S435 R436 Y527 L529S386-Y388 PolarHBondContact O-N 3.3Å; S386-Y388 WeakPolarHBondContact OG-CB 3.21Å; S386-Y388 PolarHBondContact OG-N 3.04Å; Y388-Q392 WeakPolarHBondContact O-CG 3.45Å; Y388-Q392 PolarHBondContact OH-NE2 3.19Å; Y388-S435 PolarHBondContact N-O 3.22Å; Y388-S435 VanDerWaalsContact N-O 3.12Å; Y388-R436 VanDerWaalsContact CB-CG 3.49Å; Y388-R436 HydrophobicContact CD1-CG 4.03Å; Y388-R436 VanDerWaalsContact CD1-CZ 3.4Å; Y388-R436 VanDerWaalsContact CD1-NH1 3.35Å; Y388-R436 HydrophobicContact CD2-CG 4.01Å; Y388-R436 HydrophobicContact CG-CG 3.57Å; Y388-R436 PolarHBondContact OH-NH2 3.22Å; Y388-Y527 AromaticContact CD2-CE1 3.93Å; Y388-Y527 HydrophobicContact CD2-CE1 3.93Å; Y388-Y527 AromaticContact CD2-CZ 3.77Å; Y388-Y527 WeakPolarHBondContact CD2-OH 3.37Å; Y388-Y527 AromaticContact CE2-CE1 3.68Å; Y388-Y527 HydrophobicContact CE2-CE1 3.68Å; Y388-Y527 AromaticContact CE2-CZ 3.99Å; Y388-Y527 WeakPolarHBondContact CE2-OH 3.48Å; Y388-L529 HydrophobicContact CD2-CD2 3.91Å; Y388-L529 HydrophobicContact CE2-CD1 4.17Å; Y388-L529 HydrophobicContact CE2-CD2 3.69Å; Y388-L529 HydrophobicContact CE2-CG 3.96Å
389E95.4Very high96.4Very high78 Ų7829 Ų2936%0.36415%0.15SC..Hα-helixtrans-70.5-38178.6-69.186.6-149.500110.9S386 L391 Q392 R436S386-E389 WeakPolarHBondContact CB-OE2 3.35Å; S386-E389 PolarHBondContact N-OE2 3.16Å; S386-E389 PolarHBondContact O-N 2.96Å; S386-E389 VanDerWaalsContact O-N 3.15Å; S386-E389 VanDerWaalsContact OG-CD 3.28Å; S386-E389 PolarHBondContact OG-OE2 2.87Å; E389-L391 PolarHBondContact O-N 3.32Å; E389-Q392 PolarHBondContact O-N 2.9Å; E389-R436 IonicContact OE1-NH1 3.3Å; E389-R436 PolarHBondContact OE1-NH1 3.33Å
390F97.3Very high96.4Very high5 Ų528.6 Ų28.62%0.02215%0.147CC..Hα-helixtrans-59.8-47.6179.6-175.2-96.4000112.1L384 S386 L387 Q392 Q393 H394 V440 I629L384-F390 HydrophobicContact CB-CD2 4.04Å; L384-F390 HydrophobicContact CB-CE2 4.23Å; L384-F390 HydrophobicContact CD1-CE2 4.05Å; L384-F390 HydrophobicContact CD2-CE2 4.46Å; L384-F390 HydrophobicContact CG-CE2 4.49Å; S386-F390 VanDerWaalsContact O-CB 3.31Å; S386-F390 WeakPolarHBondContact O-CB 3.35Å; S386-F390 PolarHBondContact O-N 2.89Å; L387-F390 PolarHBondContact O-N 2.83Å; F390-Q392 PolarHBondContact O-N 2.78Å; F390-Q393 PolarHBondContact O-N 3.32Å; F390-H394 HydrophobicContact CD1-CB 4.24Å; F390-H394 AromaticContact CD2-CE1 4Å; F390-H394 AromaticContact CD2-ND1 3.54Å; F390-H394 HydrophobicContact CE1-CB 3.96Å; F390-H394 HydrophobicContact CE2-CB 4.43Å; F390-H394 AromaticContact CE2-CG 3.94Å; F390-H394 AromaticContact CE2-ND1 3.76Å; F390-H394 AromaticContact CG-ND1 3.87Å; F390-H394 HydrophobicContact CZ-CB 4.09Å; F390-H394 WeakPolarHBondContact O-CB 3.46Å; F390-H394 PolarHBondContact O-N 2.96Å; F390-H394 PolarHBondContact O-ND1 3.38Å; F390-V440 HydrophobicContact CB-CG2 3.88Å; F390-V440 HydrophobicContact CD1-CG2 3.97Å; F390-V440 HydrophobicContact CD2-CB 4.27Å; F390-V440 HydrophobicContact CD2-CG1 4.24Å; F390-V440 HydrophobicContact CD2-CG2 4.25Å; F390-V440 HydrophobicContact CE1-CG1 4.33Å; F390-V440 HydrophobicContact CE2-CG1 4.06Å; F390-V440 HydrophobicContact CG-CB 4.31Å; F390-V440 HydrophobicContact CG-CG1 4.44Å; F390-V440 HydrophobicContact CG-CG2 3.78Å; F390-V440 HydrophobicContact CZ-CG1 4.07Å; F390-I629 HydrophobicContact CE1-CD1 4.07Å; F390-I629 HydrophobicContact CE1-CG2 4.13Å; F390-I629 HydrophobicContact CE2-CG2 4.34Å; F390-I629 HydrophobicContact CZ-CB 4.41Å; F390-I629 HydrophobicContact CZ-CD1 4.03Å; F390-I629 HydrophobicContact CZ-CG1 4.09Å; F390-I629 HydrophobicContact CZ-CG2 3.49Å; F390-I629 VanDerWaalsContact CZ-CG2 3.49Å
391L97.5Very high96.4Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-67.8-19.3-177.1-72.8179.7000114.2L387 E389 Q393 L396 E511 V512 R515 Y527L387-L391 HydrophobicContact CD1-CD1 3.96Å; L387-L391 HydrophobicContact CD1-CD2 4.14Å; L387-L391 HydrophobicContact CD1-CG 3.8Å; L387-L391 HydrophobicContact CD2-CD1 4.42Å; L387-L391 HydrophobicContact CG-CD1 3.76Å; L387-L391 HydrophobicContact CG-CG 4.03Å; L387-L391 VanDerWaalsContact O-CB 3.26Å; L387-L391 WeakPolarHBondContact O-CB 3.38Å; L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 2.96Å; E389-L391 PolarHBondContact O-N 3.32Å; L391-Q393 VanDerWaalsContact C-N 3.33Å; L391-L396 HydrophobicContact CD2-CD1 3.45Å; L391-L396 VanDerWaalsContact CD2-CD1 3.45Å; L391-E511 HydrophobicContact CD1-CB 4.08Å; L391-V512 HydrophobicContact CD1-CG2 4.08Å; L391-R515 HydrophobicContact CB-CG 4.1Å; L391-R515 HydrophobicContact CD2-CB 3.9Å; L391-R515 HydrophobicContact CD2-CG 4.06Å; L391-R515 WeakPolarHBondContact O-CD 3.36Å; L391-R515 PolarHBondContact O-NE 3.12Å; L391-Y527 HydrophobicContact CB-CD2 3.57Å; L391-Y527 HydrophobicContact CB-CE2 3.74Å; L391-Y527 HydrophobicContact CD1-CD2 4.47Å; L391-Y527 HydrophobicContact CD1-CE2 4.06Å
392Q96.1Very high96.4Very high58 Ų5823.5 Ų23.527%0.27112%0.123SC..Hα-helixtrans-72.2-29.1174.7-71.5174.520.700113.5Y388 E389 F390 Y527 S634Y388-Q392 WeakPolarHBondContact O-CG 3.45Å; Y388-Q392 PolarHBondContact OH-NE2 3.19Å; E389-Q392 PolarHBondContact O-N 2.9Å; F390-Q392 PolarHBondContact O-N 2.78Å; Q392-Y527 HydrophobicContact CG-CD1 3.39Å; Q392-Y527 HydrophobicContact CG-CE1 3.93Å; Q392-Y527 HydrophobicContact CG-CG 3.82Å; Q392-S634 PolarHBondContact O-N 3.38Å; Q392-S634 VanDerWaalsContact O-N 3.14Å; Q392-S634 PolarHBondContact O-OG 2.93Å
393Q94.6Very high96.5Very high108 Ų10825.4 Ų25.451%0.50513%0.129SC..Hα-helixtrans-109.2-15.3-173.4-62.9-174.43.800112.9F390 L391 C632F390-Q393 PolarHBondContact O-N 3.32Å; L391-Q393 VanDerWaalsContact C-N 3.33Å; Q393-C632 CarbonylContact C-O 3.6Å; Q393-C632 CarbonylContact O-C 3.22Å; Q393-C632 PolarHBondContact O-N 3.15Å
394H95.6Very high96.6Very high10 Ų1022.4 Ų22.45%0.04611%0.109CC..EExtended strand (participates in β ladder)trans-127.6154.3-173.4-52.290.5000111.2F390 R515 I629 I630F390-H394 HydrophobicContact CD1-CB 4.24Å; F390-H394 AromaticContact CD2-CE1 4Å; F390-H394 AromaticContact CD2-ND1 3.54Å; F390-H394 HydrophobicContact CE1-CB 3.96Å; F390-H394 HydrophobicContact CE2-CB 4.43Å; F390-H394 AromaticContact CE2-CG 3.94Å; F390-H394 AromaticContact CE2-ND1 3.76Å; F390-H394 AromaticContact CG-ND1 3.87Å; F390-H394 HydrophobicContact CZ-CB 4.09Å; F390-H394 WeakPolarHBondContact O-CB 3.46Å; F390-H394 PolarHBondContact O-N 2.96Å; F390-H394 PolarHBondContact O-ND1 3.38Å; H394-R515 PolarHBondContact O-NE 3.26Å; H394-R515 PolarHBondContact O-NH2 3.18Å; H394-I629 HydrophobicContact CB-CG2 3.88Å; H394-I630 CarbonylContact C-O 3.59Å; H394-I630 VanDerWaalsContact CA-O 3.27Å; H394-I630 WeakPolarHBondContact CA-O 3.42Å
395C95.5Very high96.7Very high1 Ų120.9 Ų20.91%0.00710%0.102CC..EExtended strand (participates in β ladder)trans-121.9161.816564.30000109.9R515 P524 I630 C632C395-R515 CarbonylContact C-O 3.55Å; C395-R515 WeakPolarHBondContact CA-O 3.45Å; C395-R515 WeakPolarHBondContact CB-O 3.5Å; C395-P524 HydrophobicContact CB-CB 3.53Å; C395-P524 HydrophobicContact CB-CG 3.71Å; C395-I630 PolarHBondContact N-O 3.25Å; C395-I630 PolarHBondContact O-N 2.82Å; C395-C632 HydrophobicContact CB-CB 4Å; C395-C632 VanDerWaalsContact SG-CB 3.54Å
396L96.2Very high96.9Very high3 Ų320.9 Ų20.92%0.01610%0.099CC..EExtended strand (participates in β ladder)trans-119.5137.3-173.8-59.792.4000109.8L391 A400 L401 A404 V512 R515 C516 Y517 I629L391-L396 HydrophobicContact CD2-CD1 3.45Å; L391-L396 VanDerWaalsContact CD2-CD1 3.45Å; L396-A400 HydrophobicContact CB-CB 4.25Å; L396-A400 HydrophobicContact CD2-CB 4.32Å; L396-L401 HydrophobicContact CB-CB 4Å; L396-L401 HydrophobicContact CD2-CB 4.45Å; L396-A404 HydrophobicContact CD2-CB 4.19Å; L396-V512 HydrophobicContact CD1-CG1 4.42Å; L396-V512 HydrophobicContact CD2-CG1 4.24Å; L396-R515 HydrophobicContact CD1-CB 4.11Å; L396-R515 PolarHBondContact N-O 3.32Å; L396-C516 CarbonylContact O-C 3.6Å; L396-C516 VanDerWaalsContact O-CA 3.23Å; L396-C516 WeakPolarHBondContact O-CA 3.5Å; L396-Y517 PolarHBondContact O-N 2.85Å; L396-I629 HydrophobicContact CB-CD1 4.32Å; L396-I629 HydrophobicContact CD2-CD1 3.61Å; L396-I629 HydrophobicContact CG-CD1 3.6Å
397T95.2Very high96.9Very high0 Ų020.6 Ų20.60%010%0.097CC..  trans-67.8161.1159.756.90000110F399 A400 L401 L611 T614 G628 I630T397-F399 PolarHBondContact O-N 2.9Å; T397-F399 VanDerWaalsContact O-N 3.15Å; T397-A400 PolarHBondContact O-N 2.91Å; T397-A400 VanDerWaalsContact O-N 3.09Å; T397-A400 PolarHBondContact OG1-N 2.65Å; T397-L401 WeakPolarHBondContact O-CB 3.25Å; T397-L401 PolarHBondContact O-N 3.33Å; T397-L611 HydrophobicContact CG2-CD2 4.46Å; T397-T614 HydrophobicContact CG2-CG2 4.18Å; T397-G628 WeakPolarHBondContact CB-O 3.42Å; T397-G628 WeakPolarHBondContact CG2-O 3.4Å; T397-G628 PolarHBondContact N-O 3.37Å; T397-G628 VanDerWaalsContact OG1-CA 3.27Å; T397-G628 WeakPolarHBondContact OG1-CA 3.44Å; T397-G628 PolarHBondContact OG1-O 3.47Å; T397-I630 HydrophobicContact CG2-CD1 4.32Å
398P95.9Very high97Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-52.4-35.4173.8-28.835.8000113.9L402 V518 I566 L608 D610P398-L402 WeakPolarHBondContact O-CB 3.06Å; P398-L402 PolarHBondContact O-N 3.47Å; P398-V518 HydrophobicContact CG-CG2 3.9Å; P398-I566 HydrophobicContact CB-CD1 4.08Å; P398-L608 VanDerWaalsContact CB-O 3.3Å; P398-L608 WeakPolarHBondContact CB-O 3.27Å; P398-D610 HydrophobicContact CG-CB 4.26Å
399F95.4Very high97Very high23 Ų2318.7 Ų18.710%0.1019%0.09CC..Hα-helixtrans-61.7-52.1175175.5-88.5000112.4T397 L402 R403 L602 L611 F627T397-F399 PolarHBondContact O-N 2.9Å; T397-F399 VanDerWaalsContact O-N 3.15Å; F399-L402 PolarHBondContact O-N 2.72Å; F399-R403 PolarHBondContact O-N 3.24Å; F399-L602 HydrophobicContact CB-CD2 4.46Å; F399-L602 HydrophobicContact CD2-CD2 3.95Å; F399-L611 HydrophobicContact CB-CD1 4.33Å; F399-L611 HydrophobicContact CB-CD2 4.28Å; F399-L611 HydrophobicContact CB-CG 4.38Å; F399-L611 HydrophobicContact CD2-CD1 4.4Å; F399-L611 HydrophobicContact CG-CD1 4.28Å; F399-F627 HydrophobicContact CD1-CD1 4.04Å; F399-F627 HydrophobicContact CD1-CE1 4.4Å; F399-F627 AromaticContact CE1-CD1 3.74Å; F399-F627 HydrophobicContact CE1-CD1 3.74Å; F399-F627 HydrophobicContact CE1-CE1 4.3Å; F399-F627 HydrophobicContact CZ-CD1 4.35Å
400A96.5Very high97.2Very high3 Ų316.9 Ų16.93%0.0258%0.083CC..Hα-helixtrans-69.8-36.7-177.800000111.6L396 T397 R403 A404 G628 I629L396-A400 HydrophobicContact CB-CB 4.25Å; L396-A400 HydrophobicContact CD2-CB 4.32Å; T397-A400 PolarHBondContact O-N 2.91Å; T397-A400 VanDerWaalsContact O-N 3.09Å; T397-A400 PolarHBondContact OG1-N 2.65Å; A400-R403 WeakPolarHBondContact O-CB 3.25Å; A400-R403 PolarHBondContact O-N 2.95Å; A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.43Å; A400-G628 VanDerWaalsContact CB-O 3.29Å; A400-G628 WeakPolarHBondContact CB-O 3.16Å; A400-I629 HydrophobicContact CB-CD1 3.61Å; A400-I629 HydrophobicContact CB-CG1 4.26Å
401L98Very high97.3Very high0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-58.8-47.9172163140.9000111.3L396 T397 R403 A404 V405 V512 T513 C516 I566 I567 L570L396-L401 HydrophobicContact CB-CB 4Å; L396-L401 HydrophobicContact CD2-CB 4.45Å; T397-L401 WeakPolarHBondContact O-CB 3.25Å; T397-L401 PolarHBondContact O-N 3.33Å; L401-R403 VanDerWaalsContact C-N 3.32Å; L401-R403 PolarHBondContact O-N 3.12Å; L401-A404 PolarHBondContact O-N 2.94Å; L401-V405 WeakPolarHBondContact O-CG2 3.32Å; L401-V405 PolarHBondContact O-N 3.18Å; L401-V512 HydrophobicContact CD1-CG1 4.12Å; L401-V512 HydrophobicContact CG-CG1 4.21Å; L401-T513 HydrophobicContact CD1-CG2 4.41Å; L401-C516 HydrophobicContact CD1-CB 3.67Å; L401-I566 HydrophobicContact CD2-CG2 4.18Å; L401-I567 HydrophobicContact CD1-CD1 4.15Å; L401-I567 HydrophobicContact CD2-CD1 3.71Å; L401-L570 HydrophobicContact CD1-CD1 4.42Å; L401-L570 HydrophobicContact CD2-CD1 3.33Å; L401-L570 HydrophobicContact CG-CD1 4.18Å
402L97.8Very high97.3Very high2 Ų216.7 Ų16.71%0.018%0.082CC..Hα-helixtrans-63.6-38.3178.4-174.659.4000111.9P398 F399 V405 A406 L595 V598 R599 L602P398-L402 WeakPolarHBondContact O-CB 3.06Å; P398-L402 PolarHBondContact O-N 3.47Å; F399-L402 PolarHBondContact O-N 2.72Å; L402-V405 HydrophobicContact CD1-CG2 4.22Å; L402-V405 WeakPolarHBondContact O-CG2 3.4Å; L402-A406 WeakPolarHBondContact O-CB 3.45Å; L402-A406 PolarHBondContact O-N 3.43Å; L402-L595 HydrophobicContact CD1-CD2 3.99Å; L402-V598 HydrophobicContact CD1-CB 4.38Å; L402-V598 HydrophobicContact CD1-CG1 4.1Å; L402-V598 HydrophobicContact CD2-CG1 4.08Å; L402-R599 HydrophobicContact CD2-CB 3.99Å; L402-L602 HydrophobicContact CD2-CB 4.39Å; L402-L602 HydrophobicContact CD2-CD2 3.85Å
403R97.8Very high97.4Very high72 Ų7214 Ų1427%0.2727%0.07SC..Hα-helixtrans-60.8-47.5173.6176.8179.8-74.8-174.6-1.8111.7F399 A400 L401 S407 D443 E445F399-R403 PolarHBondContact O-N 3.24Å; A400-R403 WeakPolarHBondContact O-CB 3.25Å; A400-R403 PolarHBondContact O-N 2.95Å; L401-R403 VanDerWaalsContact C-N 3.32Å; L401-R403 PolarHBondContact O-N 3.12Å; R403-S407 WeakPolarHBondContact O-CB 3.45Å; R403-S407 PolarHBondContact O-N 3.22Å; R403-S407 PolarHBondContact O-OG 3.18Å; R403-D443 PolarHBondContact NH1-O 3.4Å; R403-E445 HydrophobicContact CG-CG 3.8Å
404A98.7Very high97.6Very high2 Ų210.1 Ų10.12%0.0175%0.051CC..Hα-helixtrans-62.1-52.7179.500000111.5L396 A400 L401 A406 S407 I408L396-A404 HydrophobicContact CD2-CB 4.19Å; A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.43Å; L401-A404 PolarHBondContact O-N 2.94Å; A404-A406 VanDerWaalsContact C-N 3.34Å; A404-A406 PolarHBondContact O-N 2.83Å; A404-S407 PolarHBondContact O-N 3.45Å; A404-S407 PolarHBondContact O-OG 3.14Å; A404-I408 VanDerWaalsContact O-CG1 3.26Å; A404-I408 WeakPolarHBondContact O-CG1 3.23Å; A404-I408 PolarHBondContact O-N 2.77Å
405V98.7Very high97.7Very high0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-66.8-34.3-178-59.20000112.8L401 L402 T409 F509 V512 L570 L595L401-V405 WeakPolarHBondContact O-CG2 3.32Å; L401-V405 PolarHBondContact O-N 3.18Å; L402-V405 HydrophobicContact CD1-CG2 4.22Å; L402-V405 WeakPolarHBondContact O-CG2 3.4Å; V405-T409 WeakPolarHBondContact O-CB 3.28Å; V405-T409 PolarHBondContact O-N 2.75Å; V405-T409 PolarHBondContact O-OG1 3.13Å; V405-F509 HydrophobicContact CB-CD1 3.98Å; V405-F509 HydrophobicContact CB-CE1 3.57Å; V405-F509 HydrophobicContact CB-CE2 4.27Å; V405-F509 HydrophobicContact CB-CG 4.5Å; V405-F509 HydrophobicContact CB-CZ 3.73Å; V405-F509 HydrophobicContact CG1-CD1 3.81Å; V405-F509 HydrophobicContact CG1-CE1 3.94Å; V405-F509 HydrophobicContact CG1-CG 4.2Å; V405-F509 HydrophobicContact CG1-CZ 4.42Å; V405-V512 HydrophobicContact CG1-CB 4.32Å; V405-V512 HydrophobicContact CG1-CG1 4.1Å; V405-L570 HydrophobicContact CG2-CD2 4.07Å; V405-L595 HydrophobicContact CG2-CD1 4.15Å; V405-L595 HydrophobicContact CG2-CD2 4.1Å
406A98.7Very high97.8Very high27 Ų2710.4 Ų10.422%0.2235%0.053CC..Hα-helixtrans-66.6-42.9175.700000112.1L402 A404 T409 N410 L595L402-A406 WeakPolarHBondContact O-CB 3.45Å; L402-A406 PolarHBondContact O-N 3.43Å; A404-A406 VanDerWaalsContact C-N 3.34Å; A404-A406 PolarHBondContact O-N 2.83Å; A406-T409 PolarHBondContact O-N 2.97Å; A406-N410 WeakPolarHBondContact O-CB 3.38Å; A406-N410 PolarHBondContact O-N 3.4Å; A406-N410 PolarHBondContact O-ND2 3.38Å; A406-L595 HydrophobicContact CB-CD1 4.45Å
407S98.8Very high97.6Very high1 Ų114.1 Ų14.11%0.0077%0.071CC..Hα-helixtrans-65.9-43.3177.247.60000112.3N357 R403 A404 T409 N410 G411 E445 C446N357-S407 WeakPolarHBondContact CB-O 3.09Å; N357-S407 VanDerWaalsContact CG-O 3.3Å; N357-S407 WeakPolarHBondContact ND2-CB 3.25Å; R403-S407 WeakPolarHBondContact O-CB 3.45Å; R403-S407 PolarHBondContact O-N 3.22Å; R403-S407 PolarHBondContact O-OG 3.18Å; A404-S407 PolarHBondContact O-N 3.45Å; A404-S407 PolarHBondContact O-OG 3.14Å; S407-T409 VanDerWaalsContact C-N 3.31Å; S407-T409 PolarHBondContact O-N 3.03Å; S407-N410 WeakPolarHBondContact O-CB 2.93Å; S407-N410 PolarHBondContact O-N 3.42Å; S407-G411 PolarHBondContact O-N 3.41Å; S407-E445 WeakPolarHBondContact OG-CA 3.23Å; S407-C446 PolarHBondContact OG-N 3.24Å
408I98.9Very high97.4Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-56.5-47.9172.4-61.4164.9000110.3L387 A404 N410 G411 L412 I438 C446 L505 V508L387-I408 HydrophobicContact CD2-CD1 3.87Å; A404-I408 VanDerWaalsContact O-CG1 3.26Å; A404-I408 WeakPolarHBondContact O-CG1 3.23Å; A404-I408 PolarHBondContact O-N 2.77Å; I408-N410 VanDerWaalsContact C-N 3.33Å; I408-N410 PolarHBondContact O-N 2.97Å; I408-G411 PolarHBondContact O-N 2.9Å; I408-L412 PolarHBondContact O-N 3.38Å; I408-I438 HydrophobicContact CD1-CD1 4.19Å; I408-I438 HydrophobicContact CD1-CG2 4.11Å; I408-I438 HydrophobicContact CG1-CD1 4.35Å; I408-I438 HydrophobicContact CG1-CG2 3.89Å; I408-I438 HydrophobicContact CG2-CD1 3.88Å; I408-C446 HydrophobicContact CD1-CB 4.31Å; I408-C446 HydrophobicContact CG1-CB 3.58Å; I408-L505 HydrophobicContact CG2-CD1 3.6Å; I408-V508 HydrophobicContact CD1-CG1 4.06Å
409T98.9Very high97Very high0 Ų020.2 Ų20.20%010%0.1CC..Hα-helixtrans-64.1-37.7180-53.40000112.3V405 A406 S407 G411 L412 A413 F509 A588 V591 K592 L595V405-T409 WeakPolarHBondContact O-CB 3.28Å; V405-T409 PolarHBondContact O-N 2.75Å; V405-T409 PolarHBondContact O-OG1 3.13Å; A406-T409 PolarHBondContact O-N 2.97Å; S407-T409 VanDerWaalsContact C-N 3.31Å; S407-T409 PolarHBondContact O-N 3.03Å; T409-G411 VanDerWaalsContact C-N 3.33Å; T409-L412 PolarHBondContact O-N 3Å; T409-A413 WeakPolarHBondContact O-CB 3.43Å; T409-A413 PolarHBondContact O-N 2.82Å; T409-F509 VanDerWaalsContact OG1-CZ 3.29Å; T409-F509 WeakPolarHBondContact OG1-CZ 3.47Å; T409-A588 WeakPolarHBondContact CG2-O 3.38Å; T409-V591 HydrophobicContact CG2-CB 3.89Å; T409-V591 HydrophobicContact CG2-CG1 3.74Å; T409-K592 HydrophobicContact CG2-CB 3.89Å; T409-L595 HydrophobicContact CG2-CD1 4.39Å; T409-L595 WeakPolarHBondContact OG1-CD1 3.39Å
410N98.8Very high96.3Very high40 Ų4024.6 Ų24.621%0.21413%0.129CC..Hα-helixtrans-62-42.9176.2-75.6-27000111.3N357 A406 S407 I408 H414 K592N357-N410 HydrophobicContact CB-CB 4.45Å; N357-N410 VanDerWaalsContact OD1-CB 3.29Å; N357-N410 WeakPolarHBondContact OD1-CB 3.36Å; A406-N410 WeakPolarHBondContact O-CB 3.38Å; A406-N410 PolarHBondContact O-N 3.4Å; A406-N410 PolarHBondContact O-ND2 3.38Å; S407-N410 WeakPolarHBondContact O-CB 2.93Å; S407-N410 PolarHBondContact O-N 3.42Å; I408-N410 VanDerWaalsContact C-N 3.33Å; I408-N410 PolarHBondContact O-N 2.97Å; N410-H414 WeakPolarHBondContact O-CB 3.22Å; N410-H414 PolarHBondContact O-N 3.47Å; N410-K592 WeakPolarHBondContact OD1-CD 3.29Å; N410-K592 WeakPolarHBondContact OD1-CE 3.27Å; N410-K592 WeakPolarHBondContact OD1-CG 3.49Å; N410-K592 PolarHBondContact OD1-NZ 3.21Å
411G98.8Very high95Very high0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-59.2-53172.600000111.6N357 S407 I408 T409 A413 H414 L415N357-G411 WeakPolarHBondContact O-CA 3.27Å; S407-G411 PolarHBondContact O-N 3.41Å; I408-G411 PolarHBondContact O-N 2.9Å; T409-G411 VanDerWaalsContact C-N 3.33Å; G411-A413 PolarHBondContact O-N 3.5Å; G411-H414 WeakPolarHBondContact O-CB 3.16Å; G411-H414 PolarHBondContact O-N 3.24Å; G411-H414 VanDerWaalsContact O-N 3.11Å; G411-L415 PolarHBondContact O-N 3.18Å
412L98.8Very high93.8Very high0 Ų034 Ų340%020%0.198CC..Hα-helixtrans-64.1-40.1-177.4-17064.5000112.4I408 T409 H414 L415 H416 L433 I448 D501 M502 L505 A588I408-L412 PolarHBondContact O-N 3.38Å; T409-L412 PolarHBondContact O-N 3Å; L412-H414 VanDerWaalsContact C-N 3.28Å; L412-H414 PolarHBondContact O-N 3.14Å; L412-L415 HydrophobicContact CD1-CD1 4.47Å; L412-L415 PolarHBondContact O-N 3.33Å; L412-H416 WeakPolarHBondContact O-CB 3.35Å; L412-H416 PolarHBondContact O-N 3.48Å; L412-L433 HydrophobicContact CD1-CD2 4.29Å; L412-L433 HydrophobicContact CD2-CD2 3.93Å; L412-I448 HydrophobicContact CB-CD1 3.86Å; L412-I448 HydrophobicContact CD1-CD1 4.43Å; L412-I448 VanDerWaalsContact N-CD1 3.35Å; L412-D501 HydrophobicContact CD1-CB 4.22Å; L412-D501 HydrophobicContact CD2-CB 4.47Å; L412-M502 HydrophobicContact CD2-SD 3.7Å; L412-L505 HydrophobicContact CD2-CB 4.07Å; L412-L505 HydrophobicContact CD2-CD1 4.15Å; L412-L505 HydrophobicContact CD2-CD2 4Å; L412-L505 HydrophobicContact CD2-CG 4.29Å; L412-A588 HydrophobicContact CB-CB 4.44Å; L412-A588 HydrophobicContact CD2-CB 4.34Å; L412-A588 HydrophobicContact CG-CB 4.16Å
413A98.6Very high92.5Very high3 Ų340 Ų403%0.02523%0.226CC..Hα-helixtrans-62.6-36.4175.700000112T409 G411 M417 A588 M589 K592T409-A413 WeakPolarHBondContact O-CB 3.43Å; T409-A413 PolarHBondContact O-N 2.82Å; G411-A413 PolarHBondContact O-N 3.5Å; A413-M417 WeakPolarHBondContact O-CB 2.96Å; A413-M417 PolarHBondContact O-N 3.03Å; A413-A588 HydrophobicContact CB-CB 3.92Å; A413-M589 HydrophobicContact CB-CE 4.39Å; A413-K592 HydrophobicContact CB-CD 4.25Å
414H98.2Very high91.6Very high25 Ų2538.1 Ų38.112%0.11623%0.229CC..Hα-helixtrans-67.8-40.3174.2-179.271.9000112.1M352 L353 H355 N410 G411 L412 K425M352-H414 PolarHBondContact O-CE1 3.05Å; M352-H414 PolarHBondContact O-NE2 3.06Å; M352-H414 VanDerWaalsContact O-NE2 3.12Å; L353-H414 PolarHBondContact O-NE2 3.37Å; L353-H414 VanDerWaalsContact O-NE2 3.12Å; H355-H414 HydrophobicContact CB-CB 4.44Å; H355-H414 AromaticContact CD2-CG 3.92Å; H355-H414 AromaticContact CG-CG 3.82Å; N410-H414 WeakPolarHBondContact O-CB 3.22Å; N410-H414 PolarHBondContact O-N 3.47Å; G411-H414 WeakPolarHBondContact O-CB 3.16Å; G411-H414 PolarHBondContact O-N 3.24Å; G411-H414 VanDerWaalsContact O-N 3.11Å; L412-H414 VanDerWaalsContact C-N 3.28Å; L412-H414 PolarHBondContact O-N 3.14Å; H414-K425 VanDerWaalsContact O-CE 3.28Å; H414-K425 WeakPolarHBondContact O-CE 3.36Å; H414-K425 PolarHBondContact O-NZ 2.76Å
415L97.7Very high91.1Very high0 Ų038.1 Ų38.10%023%0.228CC..Hα-helixtrans-60.6-52.8172.8-69.7174.1000111.2L353 I358 G411 L412 M417 K425 I428 H430 I448 L451L353-L415 HydrophobicContact CD1-CD2 3.66Å; I358-L415 HydrophobicContact CD1-CD1 3.87Å; I358-L415 HydrophobicContact CD1-CD2 4.02Å; I358-L415 HydrophobicContact CD1-CG 3.67Å; G411-L415 PolarHBondContact O-N 3.18Å; L412-L415 HydrophobicContact CD1-CD1 4.47Å; L412-L415 PolarHBondContact O-N 3.33Å; L415-M417 VanDerWaalsContact C-N 3.28Å; L415-M417 PolarHBondContact O-N 3.46Å; L415-K425 PolarHBondContact O-NZ 3.39Å; L415-I428 CarbonylContact C-O 3.53Å; L415-I428 VanDerWaalsContact C-O 3.32Å; L415-I428 HydrophobicContact CB-CB 4.46Å; L415-I428 HydrophobicContact CD2-CB 4.35Å; L415-I428 HydrophobicContact CD2-CG2 4.27Å; L415-I428 PolarHBondContact O-N 3.26Å; L415-H430 HydrophobicContact CD1-CB 4.45Å; L415-I448 HydrophobicContact CD1-CD1 4.43Å; L415-I448 HydrophobicContact CD1-CG2 4.36Å; L415-L451 HydrophobicContact CD1-CD2 4.42Å
416H96.7Very high90.6Very high18 Ų1839.5 Ų39.58%0.08324%0.237CC..Hα-helixtrans-68.1-22.8-175.7-75.1-170000114.5L412 A427 I428 K498 D501L412-H416 WeakPolarHBondContact O-CB 3.35Å; L412-H416 PolarHBondContact O-N 3.48Å; H416-A427 VanDerWaalsContact O-CB 3.22Å; H416-A427 WeakPolarHBondContact O-CB 3.18Å; H416-I428 PolarHBondContact CD2-O 3.29Å; H416-K498 HydrophobicContact CB-CD 4Å; H416-K498 HydrophobicContact CB-CG 4.48Å; H416-K498 PolarHBondContact CE1-O 3.01Å; H416-K498 VanDerWaalsContact CE1-O 3.3Å; H416-D501 IonicContact CD2-OD2 2.79Å; H416-D501 IonicContact CE1-OD2 3.89Å; H416-D501 IonicContact NE2-OD2 3.72Å; H416-D501 PolarHBondContact NE2-OD2 3.27Å
417M93.6Very high90.3Very high81 Ų8138.4 Ų38.440%0.39923%0.228SC..  trans-77.3127.8178.9-179.8-178.1-63.900111.2A413 L415 I419 K425 M589A413-M417 WeakPolarHBondContact O-CB 2.96Å; A413-M417 PolarHBondContact O-N 3.03Å; L415-M417 VanDerWaalsContact C-N 3.28Å; L415-M417 PolarHBondContact O-N 3.46Å; M417-I419 HydrophobicContact CG-CG1 4.28Å; M417-I419 HydrophobicContact SD-CG1 4.33Å; M417-K425 PolarHBondContact O-NZ 2.71Å; M417-M589 HydrophobicContact CE-CE 3.09Å
418E90.8Very high90Very high81 Ų8138.3 Ų38.338%0.37923%0.228SC..  trans-79.6130.5162.2-176.3-176.9169.100109.1R78 K425 A427R78-E418 IonicContact CZ-OE1 2.6Å; R78-E418 IonicContact CZ-OE2 2.78Å; R78-E418 IonicContact NH1-OE1 2.97Å; R78-E418 IonicContact NH2-OE1 2.64Å; R78-E418 PolarHBondContact NH2-OE1 3.29Å; R78-E418 IonicContact NH2-OE2 2.68Å; R78-E418 PolarHBondContact NH2-OE2 3.48Å; E418-K425 CarbonylContact C-O 3.58Å; E418-K425 WeakPolarHBondContact CA-O 2.93Å; E418-A427 HydrophobicContact CB-CB 4.37Å
419I86.3Confident89.8Confident46 Ų4638.3 Ų38.324%0.23623%0.228CC..BIsolated β-bridgetrans-110.9106.7176.8-54.4175.4000107.2M352 M417 G424 K425M352-I419 HydrophobicContact CB-CD1 4.33Å; M352-I419 HydrophobicContact CE-CB 4.43Å; M352-I419 HydrophobicContact CE-CG2 3.94Å; M352-I419 HydrophobicContact SD-CB 4.5Å; M352-I419 HydrophobicContact SD-CG2 3.73Å; M417-I419 HydrophobicContact CG-CG1 4.28Å; M417-I419 HydrophobicContact SD-CG1 4.33Å; I419-G424 CarbonylContact O-C 3.59Å; I419-G424 WeakPolarHBondContact O-CA 3.25Å; I419-K425 HydrophobicContact CB-CB 4Å; I419-K425 HydrophobicContact CD1-CB 4.2Å; I419-K425 HydrophobicContact CD1-CD 4.08Å; I419-K425 HydrophobicContact CG1-CB 4.21Å; I419-K425 PolarHBondContact N-O 2.75Å; I419-K425 PolarHBondContact O-N 3.37Å
420T81.2Confident89.6Confident116 Ų11638.4 Ų38.471%0.71223%0.228SC*.  trans-77.1135.5-179.255.70000111.4
421G70.3Confident89.4Confident55 Ų5538.4 Ų38.457%0.56723%0.225SC*.SBendtrans175-178.2178.400000111.4Q423 G424G421-Q423 PolarHBondContact O-N 2.78Å; G421-G424 PolarHBondContact O-N 3.13Å
422T71.3Confident89.3Confident146 Ų14638.7 Ų38.790%0.89623%0.226SC*.THydrogen-bonded Turntrans-60.4-29.1177.749.40000113.1
423Q72Confident89.3Confident128 Ų12838.7 Ų38.760%0.59823%0.226SC*.THydrogen-bonded Turntrans-130.156.5173.3-66.8-66.9-32.300108.9V351 M352 G421V351-Q423 HydrophobicContact CG1-CB 3.91Å; V351-Q423 VanDerWaalsContact CG1-O 3.25Å; V351-Q423 WeakPolarHBondContact CG1-O 3.43Å; V351-Q423 HydrophobicContact CG2-CB 4.48Å; M352-Q423 WeakPolarHBondContact CE-O 3.44Å; G421-Q423 PolarHBondContact O-N 2.78Å
424G77.8Confident89.2Confident32 Ų3239.8 Ų39.833%0.3323%0.23SC..PPolyproline II helixtrans-59.4153-174.600000114.2I419 G421I419-G424 CarbonylContact O-C 3.59Å; I419-G424 WeakPolarHBondContact O-CA 3.25Å; G421-G424 PolarHBondContact O-N 3.13Å
425K88.7Confident89.2Confident1 Ų138.6 Ų38.60%0.00423%0.225CC..BIsolated β-bridgetrans-91.5120.2170.2-173.8-166.7150.9-66.90108.2T350 V351 M352 H414 L415 M417 E418 I419T350-K425 HydrophobicContact CG2-CG 4.05Å; V351-K425 WeakPolarHBondContact O-CB 3.47Å; V351-K425 WeakPolarHBondContact O-CG 3.44Å; M352-K425 HydrophobicContact CB-CB 4.12Å; H414-K425 VanDerWaalsContact O-CE 3.28Å; H414-K425 WeakPolarHBondContact O-CE 3.36Å; H414-K425 PolarHBondContact O-NZ 2.76Å; L415-K425 PolarHBondContact O-NZ 3.39Å; M417-K425 PolarHBondContact O-NZ 2.71Å; E418-K425 CarbonylContact C-O 3.58Å; E418-K425 WeakPolarHBondContact CA-O 2.93Å; I419-K425 HydrophobicContact CB-CB 4Å; I419-K425 HydrophobicContact CD1-CB 4.2Å; I419-K425 HydrophobicContact CD1-CD 4.08Å; I419-K425 HydrophobicContact CG1-CB 4.21Å; I419-K425 PolarHBondContact N-O 2.75Å; I419-K425 PolarHBondContact O-N 3.37Å
426P88.2Confident89.1Confident30 Ų3044.1 Ų44.120%0.19525%0.246CC..PPolyproline II helixtrans-63.8160.5170.228.8-34.6000110.6T350 K456T350-P426 HydrophobicContact CG2-CG 4.41Å; P426-K456 HydrophobicContact CG-CB 4.08Å; P426-K456 HydrophobicContact CG-CD 4.47Å; P426-K456 HydrophobicContact CG-CG 3.97Å
427A91.6Very high89.2Confident3 Ų343.9 Ų43.93%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-61.7147.5165.300000109H416 E418 L457H416-A427 VanDerWaalsContact O-CB 3.22Å; H416-A427 WeakPolarHBondContact O-CB 3.18Å; E418-A427 HydrophobicContact CB-CB 4.37Å; A427-L457 HydrophobicContact CB-CB 4.06Å; A427-L457 HydrophobicContact CB-CD1 4.19Å; A427-L457 WeakPolarHBondContact O-CA 3.25Å; A427-L457 VanDerWaalsContact O-CB 3.32Å; A427-L457 WeakPolarHBondContact O-CB 3.43Å; A427-L457 PolarHBondContact O-N 2.94Å
428I93.2Very high89.4Confident0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-131125.6-179.8-62.8170.3000107.3I347 T350 L353 L415 H416 A454 L455 K456I347-I428 HydrophobicContact CG2-CD1 4.42Å; T350-I428 HydrophobicContact CG2-CD1 4.4Å; L353-I428 HydrophobicContact CD1-CD1 3.87Å; L415-I428 CarbonylContact C-O 3.53Å; L415-I428 VanDerWaalsContact C-O 3.32Å; L415-I428 HydrophobicContact CB-CB 4.46Å; L415-I428 HydrophobicContact CD2-CB 4.35Å; L415-I428 HydrophobicContact CD2-CG2 4.27Å; L415-I428 PolarHBondContact O-N 3.26Å; H416-I428 PolarHBondContact CD2-O 3.29Å; I428-A454 HydrophobicContact CG2-CB 3.94Å; I428-L455 VanDerWaalsContact CA-O 3.29Å; I428-L455 WeakPolarHBondContact CA-O 3.15Å; I428-K456 HydrophobicContact CG1-CG 4.32Å
429A94.3Very high89.8Confident0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-91139166.900000109.6R431 A454 L455 L457 F497 D501A429-R431 HydrophobicContact CB-CG 4.08Å; A429-A454 CarbonylContact O-C 3.49Å; A429-A454 WeakPolarHBondContact O-CA 3.37Å; A429-A454 WeakPolarHBondContact O-CB 3.39Å; A429-L455 PolarHBondContact N-O 3.14Å; A429-L455 PolarHBondContact O-N 3.22Å; A429-L457 HydrophobicContact CB-CD1 4.04Å; A429-L457 HydrophobicContact CB-CD2 4.41Å; A429-L457 HydrophobicContact CB-CG 4.39Å; A429-F497 HydrophobicContact CB-CB 3.43Å; A429-F497 VanDerWaalsContact CB-CB 3.43Å; A429-D501 WeakPolarHBondContact CA-OD2 3.5Å
430H95.5Very high90.4Very high1 Ų135.9 Ų35.91%0.00521%0.207CC..  trans-78.8-43-177.8-172.4-77.8000112.2L415 D432 L433 I448 G449 L451 D501L415-H430 HydrophobicContact CD1-CB 4.45Å; H430-D432 VanDerWaalsContact CE1-C 3.42Å; H430-D432 PolarHBondContact CE1-O 2.86Å; H430-D432 VanDerWaalsContact CE1-O 3.26Å; H430-D432 PolarHBondContact ND1-N 3.33Å; H430-D432 PolarHBondContact ND1-O 2.76Å; H430-D432 PolarHBondContact O-N 3.1Å; H430-L433 WeakPolarHBondContact ND1-CA 3.18Å; H430-L433 PolarHBondContact ND1-N 3.48Å; H430-I448 WeakPolarHBondContact CD2-CG2 3.47Å; H430-I448 WeakPolarHBondContact NE2-CG2 3.08Å; H430-G449 PolarHBondContact NE2-O 3.02Å; H430-G449 VanDerWaalsContact NE2-O 3.08Å; H430-L451 VanDerWaalsContact CD2-CD2 3.48Å; H430-L451 WeakPolarHBondContact CD2-CD2 3.3Å; H430-D501 PolarHBondContact N-OD2 3.26Å
431R94.6Very high91.2Very high40 Ų4031.5 Ų31.515%0.15118%0.178CC..SBendtrans64.7-10.3176.8-57.9175.663.7-163.56.9117.1A429 F453 S471 V474 F497 D501A429-R431 HydrophobicContact CB-CG 4.08Å; R431-F453 HydrophobicContact CB-CB 4.36Å; R431-F453 WeakPolarHBondContact CD-O 2.87Å; R431-S471 PolarHBondContact NH2-O 2.61Å; R431-V474 HydrophobicContact CB-CG2 4.14Å; R431-V474 VanDerWaalsContact CZ-CG2 3.41Å; R431-F497 HydrophobicContact CG-CD1 4.48Å; R431-D501 WeakPolarHBondContact CA-OD1 3.22Å; R431-D501 PolarHBondContact N-OD1 3.26Å
432D95.7Very high92.4Very high6 Ų634 Ų343%0.03218%0.177CC..  trans-135.542.7171.2-165.629.8000112.9H430 K434 N437 F453 G475 T476H430-D432 VanDerWaalsContact CE1-C 3.42Å; H430-D432 PolarHBondContact CE1-O 2.86Å; H430-D432 VanDerWaalsContact CE1-O 3.26Å; H430-D432 PolarHBondContact ND1-N 3.33Å; H430-D432 PolarHBondContact ND1-O 2.76Å; H430-D432 PolarHBondContact O-N 3.1Å; D432-K434 PolarHBondContact O-N 2.73Å; D432-K434 IonicContact OD1-NZ 3.15Å; D432-K434 PolarHBondContact OD1-NZ 2.74Å; D432-K434 IonicContact OD2-NZ 3.57Å; D432-K434 PolarHBondContact OD2-NZ 3.45Å; D432-N437 PolarHBondContact O-ND2 3.16Å; D432-N437 PolarHBondContact OD2-ND2 2.88Å; D432-F453 HydrophobicContact CB-CB 4.26Å; D432-F453 HydrophobicContact CB-CD2 3.73Å; D432-F453 HydrophobicContact CB-CE2 4.5Å; D432-F453 HydrophobicContact CB-CG 4.33Å; D432-G475 VanDerWaalsContact OD1-CA 3.25Å; D432-G475 WeakPolarHBondContact OD1-CA 3.38Å; D432-T476 WeakPolarHBondContact OD1-CB 3.28Å; D432-T476 PolarHBondContact OD1-N 3.48Å; D432-T476 PolarHBondContact OD1-OG1 2.81Å
433L98.3Very high93.6Very high0 Ų030.5 Ų30.50%015%0.152CC..  trans-71.6122.5-178.7-172.871.6000110.1L412 H430 I438 I448 S504 L505L412-L433 HydrophobicContact CD1-CD2 4.29Å; L412-L433 HydrophobicContact CD2-CD2 3.93Å; H430-L433 WeakPolarHBondContact ND1-CA 3.18Å; H430-L433 PolarHBondContact ND1-N 3.48Å; L433-I438 HydrophobicContact CD1-CD1 4.17Å; L433-I438 HydrophobicContact CD1-CG1 4.31Å; L433-I448 HydrophobicContact CD1-CD1 4.04Å; L433-I448 HydrophobicContact CD1-CG1 4.31Å; L433-I448 HydrophobicContact CD1-CG2 4.05Å; L433-S504 WeakPolarHBondContact O-CB 3.44Å; L433-L505 HydrophobicContact CD2-CB 3.94Å; L433-L505 HydrophobicContact CD2-CD1 4.12Å
434K97.7Very high94.7Very high26 Ų2624.7 Ų24.711%0.11313%0.126CC..  trans-161.1162.3-178.964.8-160.5-175.7-154.90110.2D432 R436 N437 T476 Y479D432-K434 PolarHBondContact O-N 2.73Å; D432-K434 IonicContact OD1-NZ 3.15Å; D432-K434 PolarHBondContact OD1-NZ 2.74Å; D432-K434 IonicContact OD2-NZ 3.57Å; D432-K434 PolarHBondContact OD2-NZ 3.45Å; K434-R436 HydrophobicContact CG-CB 4.21Å; K434-R436 PolarHBondContact O-N 3.46Å; K434-R436 VanDerWaalsContact O-N 3.11Å; K434-N437 VanDerWaalsContact CE-CG 3.48Å; K434-N437 WeakPolarHBondContact CE-ND2 3Å; K434-N437 WeakPolarHBondContact CE-OD1 3.4Å; K434-N437 HydrophobicContact CG-CB 4.11Å; K434-N437 PolarHBondContact O-N 3.22Å; K434-T476 HydrophobicContact CD-CG2 4.24Å; K434-T476 WeakPolarHBondContact CD-OG1 3.36Å; K434-T476 WeakPolarHBondContact CE-OG1 3.47Å; K434-T476 PolarHBondContact NZ-OG1 2.82Å; K434-Y479 HydrophobicContact CB-CD1 3.82Å; K434-Y479 HydrophobicContact CB-CD2 3.76Å; K434-Y479 HydrophobicContact CB-CE1 3.76Å; K434-Y479 HydrophobicContact CB-CE2 3.71Å; K434-Y479 HydrophobicContact CB-CG 3.82Å
435S98.1Very high95.7Very high0 Ų025.9 Ų25.90%012%0.124CC..G310 helixtrans-56.8-28.7-179.351.60000114.2L387 Y388 N437 I438 Y479 E511L387-S435 WeakPolarHBondContact CB-O 3.48Å; L387-S435 PolarHBondContact N-O 3.46Å; Y388-S435 PolarHBondContact N-O 3.22Å; Y388-S435 VanDerWaalsContact N-O 3.12Å; S435-N437 VanDerWaalsContact C-N 3.33Å; S435-N437 PolarHBondContact O-N 3.11Å; S435-I438 PolarHBondContact O-N 3.45Å; S435-Y479 PolarHBondContact OG-OH 3.07Å; S435-E511 WeakPolarHBondContact CB-OE1 3.45Å; S435-E511 WeakPolarHBondContact CB-OE2 3.1Å; S435-E511 PolarHBondContact OG-OE1 3.49Å; S435-E511 PolarHBondContact OG-OE2 2.84Å
436R96.3Very high96.2Very high116 Ų11625.9 Ų25.944%0.43812%0.124SC..G310 helixtrans-70.6-24.3174.4-68.2-179173.1-81.510.6114.8S386 Y388 E389 K434 I438S386-R436 VanDerWaalsContact CB-O 3.29Å; S386-R436 WeakPolarHBondContact CB-O 3.39Å; Y388-R436 VanDerWaalsContact CB-CG 3.49Å; Y388-R436 HydrophobicContact CD1-CG 4.03Å; Y388-R436 VanDerWaalsContact CD1-CZ 3.4Å; Y388-R436 VanDerWaalsContact CD1-NH1 3.35Å; Y388-R436 HydrophobicContact CD2-CG 4.01Å; Y388-R436 HydrophobicContact CG-CG 3.57Å; Y388-R436 PolarHBondContact OH-NH2 3.22Å; E389-R436 IonicContact OE1-NH1 3.3Å; E389-R436 PolarHBondContact OE1-NH1 3.33Å; K434-R436 HydrophobicContact CG-CB 4.21Å; K434-R436 PolarHBondContact O-N 3.46Å; K434-R436 VanDerWaalsContact O-N 3.11Å; R436-I438 VanDerWaalsContact C-N 3.35Å
437N97.3Very high96.7Very high14 Ų1424.5 Ų24.58%0.07512%0.115CC..G310 helixtrans-99.412.1-178.5-70.110.1000111.7D432 K434 S435 G449 D450D432-N437 PolarHBondContact O-ND2 3.16Å; D432-N437 PolarHBondContact OD2-ND2 2.88Å; K434-N437 VanDerWaalsContact CE-CG 3.48Å; K434-N437 WeakPolarHBondContact CE-ND2 3Å; K434-N437 WeakPolarHBondContact CE-OD1 3.4Å; K434-N437 HydrophobicContact CG-CB 4.11Å; K434-N437 PolarHBondContact O-N 3.22Å; S435-N437 VanDerWaalsContact C-N 3.33Å; S435-N437 PolarHBondContact O-N 3.11Å; N437-G449 PolarHBondContact O-N 3.39Å; N437-D450 HydrophobicContact CB-CB 4.12Å; N437-D450 PolarHBondContact ND2-OD2 3.12Å; N437-D450 PolarHBondContact OD1-OD2 3.2Å
438I98.8Very high97Very high0 Ų024.4 Ų24.40%011%0.114CC..EExtended strand (participates in β ladder)trans-118.5126.5176.4-64.5167.9000106.5S386 L387 I408 L433 S435 R436 C446 C447 I448 V508S386-I438 CarbonylContact C-O 3.42Å; S386-I438 WeakPolarHBondContact CA-O 3.41Å; S386-I438 WeakPolarHBondContact CB-O 3.42Å; L387-I438 HydrophobicContact CB-CB 4.1Å; L387-I438 HydrophobicContact CB-CG2 4.06Å; L387-I438 HydrophobicContact CD2-CB 4.33Å; L387-I438 HydrophobicContact CD2-CD1 4.34Å; L387-I438 HydrophobicContact CD2-CG2 4.04Å; L387-I438 PolarHBondContact N-O 2.97Å; I408-I438 HydrophobicContact CD1-CD1 4.19Å; I408-I438 HydrophobicContact CD1-CG2 4.11Å; I408-I438 HydrophobicContact CG1-CD1 4.35Å; I408-I438 HydrophobicContact CG1-CG2 3.89Å; I408-I438 HydrophobicContact CG2-CD1 3.88Å; L433-I438 HydrophobicContact CD1-CD1 4.17Å; L433-I438 HydrophobicContact CD1-CG1 4.31Å; S435-I438 PolarHBondContact O-N 3.45Å; R436-I438 VanDerWaalsContact C-N 3.35Å; I438-C446 HydrophobicContact CG2-CB 3.61Å; I438-C447 CarbonylContact C-O 3.53Å; I438-C447 WeakPolarHBondContact CA-O 3.49Å; I438-I448 HydrophobicContact CG1-CG1 4.49Å; I438-V508 HydrophobicContact CD1-CB 4.46Å; I438-V508 HydrophobicContact CD1-CG1 3.67Å; I438-V508 HydrophobicContact CD1-CG2 4.08Å
439L98.5Very high97.2Very high36 Ų3624.5 Ų24.519%0.18812%0.115CC..EExtended strand (participates in β ladder)trans-102.4144.6179.2-57.8178.9000110.5L359 H382 G385 C446 C447L359-L439 HydrophobicContact CD1-CD1 3.79Å; L359-L439 HydrophobicContact CD2-CD1 4.02Å; L359-L439 HydrophobicContact CG-CD1 4.49Å; H382-L439 HydrophobicContact CB-CB 4.23Å; H382-L439 HydrophobicContact CB-CD1 4.46Å; G385-L439 WeakPolarHBondContact O-CA 3.36Å; L439-C446 CarbonylContact O-C 3.09Å; L439-C446 WeakPolarHBondContact O-CA 3.44Å; L439-C446 WeakPolarHBondContact O-CB 3.36Å; L439-C447 PolarHBondContact N-O 3.37Å; L439-C447 PolarHBondContact O-N 3.48Å
440V98.6Very high97.1Very high4 Ų426.3 Ų26.32%0.02412%0.124CC..EExtended strand (participates in β ladder)trans-94.8126.1175.4-171.80000109L384 G385 L387 F390L384-V440 HydrophobicContact CB-CB 3.98Å; L384-V440 HydrophobicContact CB-CG1 4.27Å; L384-V440 WeakPolarHBondContact CB-O 3.48Å; L384-V440 HydrophobicContact CD1-CB 4.49Å; L384-V440 HydrophobicContact CD1-CG1 3.89Å; G385-V440 PolarHBondContact O-N 3.45Å; L387-V440 HydrophobicContact CB-CG2 4.24Å; L387-V440 HydrophobicContact CD1-CG2 3.91Å; F390-V440 HydrophobicContact CB-CG2 3.88Å; F390-V440 HydrophobicContact CD1-CG2 3.97Å; F390-V440 HydrophobicContact CD2-CB 4.27Å; F390-V440 HydrophobicContact CD2-CG1 4.24Å; F390-V440 HydrophobicContact CD2-CG2 4.25Å; F390-V440 HydrophobicContact CE1-CG1 4.33Å; F390-V440 HydrophobicContact CE2-CG1 4.06Å; F390-V440 HydrophobicContact CG-CB 4.31Å; F390-V440 HydrophobicContact CG-CG1 4.44Å; F390-V440 HydrophobicContact CG-CG2 3.78Å; F390-V440 HydrophobicContact CZ-CG1 4.07Å
441K98.1Very high96.9Very high23 Ų2326.2 Ų26.210%0.112%0.124CC..PPolyproline II helixtrans-88.5161.3178.5-61.5-174.9-65.3160.30110.5A356 L384 D443 G444 E445A356-K441 PolarHBondContact O-NZ 3.5Å; L384-K441 WeakPolarHBondContact CD1-O 3.36Å; K441-D443 WeakPolarHBondContact CB-OD1 3.21Å; K441-D443 WeakPolarHBondContact CE-OD1 3.27Å; K441-D443 IonicContact NZ-OD1 3.53Å; K441-D443 IonicContact NZ-OD2 2.68Å; K441-D443 PolarHBondContact NZ-OD2 2.9Å; K441-D443 VanDerWaalsContact NZ-OD2 3.09Å; K441-D443 PolarHBondContact O-N 3.06Å; K441-D443 VanDerWaalsContact O-N 3.11Å; K441-G444 PolarHBondContact O-N 3.11Å; K441-E445 WeakPolarHBondContact CB-O 3.22Å; K441-E445 PolarHBondContact N-O 3.12Å; K441-E445 IonicContact NZ-OE2 3.73Å; K441-E445 PolarHBondContact NZ-OE2 3.19Å
442M96.1Very high96.6Very high109 Ų10924.4 Ų24.454%0.53712%0.117SC..THydrogen-bonded Turntrans-63.6-16.1179.7-67-61.8-65.900114.3P383 L384 G444P383-M442 HydrophobicContact CB-SD 4.34Å; P383-M442 HydrophobicContact CG-SD 4.33Å; L384-M442 HydrophobicContact CD1-SD 4.22Å; L384-M442 HydrophobicContact CD2-SD 4.19Å; L384-M442 HydrophobicContact CG-SD 3.87Å; M442-G444 VanDerWaalsContact C-N 3.34Å
443D95.7Very high96.3Very high72 Ų7225.3 Ų25.339%0.38512%0.121SC..THydrogen-bonded Turntrans-86.2-3.9173.561.28.2000113.1R403 K441 E445R403-D443 PolarHBondContact NH1-O 3.4Å; K441-D443 WeakPolarHBondContact CB-OD1 3.21Å; K441-D443 WeakPolarHBondContact CE-OD1 3.27Å; K441-D443 IonicContact NZ-OD1 3.53Å; K441-D443 IonicContact NZ-OD2 2.68Å; K441-D443 PolarHBondContact NZ-OD2 2.9Å; K441-D443 VanDerWaalsContact NZ-OD2 3.09Å; K441-D443 PolarHBondContact O-N 3.06Å; K441-D443 VanDerWaalsContact O-N 3.11Å; D443-E445 VanDerWaalsContact C-N 3.28Å; D443-E445 WeakPolarHBondContact OD1-CB 3.22Å; D443-E445 PolarHBondContact OD1-N 3.18Å
444G96.1Very high96Very high5 Ų525.4 Ų25.45%0.05212%0.122CC..SBendtrans80.82.3-177.100000114.5K441 M442 P626K441-G444 PolarHBondContact O-N 3.11Å; M442-G444 VanDerWaalsContact C-N 3.34Å; G444-P626 VanDerWaalsContact CA-CB 3.44Å
445E98.5Very high95.6Very high58 Ų5824.4 Ų24.427%0.27112%0.118SC..  trans-80.1167.8163.5-69-169.616700110.9N357 R403 S407 K441 D443N357-E445 PolarHBondContact ND2-OE2 3.12Å; R403-E445 HydrophobicContact CG-CG 3.8Å; S407-E445 WeakPolarHBondContact OG-CA 3.23Å; K441-E445 WeakPolarHBondContact CB-O 3.22Å; K441-E445 PolarHBondContact N-O 3.12Å; K441-E445 IonicContact NZ-OE2 3.73Å; K441-E445 PolarHBondContact NZ-OE2 3.19Å; D443-E445 VanDerWaalsContact C-N 3.28Å; D443-E445 WeakPolarHBondContact OD1-CB 3.22Å; D443-E445 PolarHBondContact OD1-N 3.18Å
446C98.8Very high95Very high1 Ų126.6 Ų26.61%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-114.6160.6175.7-56.10000111.9N357 S407 I408 I438 L439N357-C446 WeakPolarHBondContact CB-O 3.25Å; N357-C446 PolarHBondContact ND2-O 2.85Å; S407-C446 PolarHBondContact OG-N 3.24Å; I408-C446 HydrophobicContact CD1-CB 4.31Å; I408-C446 HydrophobicContact CG1-CB 3.58Å; I438-C446 HydrophobicContact CG2-CB 3.61Å; L439-C446 CarbonylContact O-C 3.09Å; L439-C446 WeakPolarHBondContact O-CA 3.44Å; L439-C446 WeakPolarHBondContact O-CB 3.36Å
447C98.7Very high94.4Very high1 Ų121.5 Ų21.51%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-132.4147.4166.663.70000110.7N357 H382 I438 L439N357-C447 VanDerWaalsContact O-CA 3.3Å; N357-C447 WeakPolarHBondContact O-CA 3.42Å; H382-C447 PolarHBondContact CD2-SG 3.04Å; H382-C447 PolarHBondContact NE2-SG 3.48Å; H382-C447 VanDerWaalsContact NE2-SG 3.38Å; I438-C447 CarbonylContact C-O 3.53Å; I438-C447 WeakPolarHBondContact CA-O 3.49Å; L439-C447 PolarHBondContact N-O 3.37Å; L439-C447 PolarHBondContact O-N 3.48Å
448I98.8Very high93.1Very high0 Ų023.2 Ų23.20%012%0.118CC..EExtended strand (participates in β ladder)trans-87.9131.6177.5-57.7175000109N357 I358 L359 L412 L415 H430 L433 I438N357-I448 PolarHBondContact O-N 2.77Å; I358-I448 HydrophobicContact CD1-CB 4.07Å; L359-I448 WeakPolarHBondContact CB-O 3.44Å; L359-I448 PolarHBondContact N-O 3.13Å; L412-I448 HydrophobicContact CB-CD1 3.86Å; L412-I448 HydrophobicContact CD1-CD1 4.43Å; L412-I448 VanDerWaalsContact N-CD1 3.35Å; L415-I448 HydrophobicContact CD1-CD1 4.43Å; L415-I448 HydrophobicContact CD1-CG2 4.36Å; H430-I448 WeakPolarHBondContact CD2-CG2 3.47Å; H430-I448 WeakPolarHBondContact NE2-CG2 3.08Å; L433-I448 HydrophobicContact CD1-CD1 4.04Å; L433-I448 HydrophobicContact CD1-CG1 4.31Å; L433-I448 HydrophobicContact CD1-CG2 4.05Å; I438-I448 HydrophobicContact CG1-CG1 4.49Å
449G96.3Very high90.9Very high2 Ų227.2 Ų27.22%0.02115%0.146CC..  trans-130.9-169.3175.500000112.3H430 N437H430-G449 PolarHBondContact NE2-O 3.02Å; H430-G449 VanDerWaalsContact NE2-O 3.08Å; N437-G449 PolarHBondContact O-N 3.39Å
450D92.1Very high88.4Confident38 Ų3826.4 Ų26.420%0.20314%0.143CC..  trans53.571.2-177-168.730.9000113.6K331 N437 G452K331-D450 IonicContact NZ-OD1 3.96Å; K331-D450 PolarHBondContact NZ-OD1 3.39Å; N437-D450 HydrophobicContact CB-CB 4.12Å; N437-D450 PolarHBondContact ND2-OD2 3.12Å; N437-D450 PolarHBondContact OD1-OD2 3.2Å; D450-G452 PolarHBondContact O-N 2.81Å
451L92.3Very high85.9Confident0 Ų027.1 Ų27.10%015%0.146CC..  trans-87.720.3-178.5-57.8179000112.5E344 I347 Y348 L353 L415 H430 F453 A454E344-L451 HydrophobicContact CG-CB 4.34Å; E344-L451 PolarHBondContact OE1-N 3.35Å; I347-L451 HydrophobicContact CB-CB 4.32Å; I347-L451 HydrophobicContact CG2-CB 3.87Å; I347-L451 HydrophobicContact CG2-CD1 3.58Å; I347-L451 HydrophobicContact CG2-CG 4.28Å; Y348-L451 HydrophobicContact CD1-CD1 3.92Å; Y348-L451 HydrophobicContact CE1-CD1 3.6Å; Y348-L451 HydrophobicContact CE1-CG 4.27Å; Y348-L451 HydrophobicContact CE2-CB 4.3Å; Y348-L451 HydrophobicContact CE2-CD1 4.24Å; Y348-L451 HydrophobicContact CE2-CG 4.32Å; Y348-L451 HydrophobicContact CG-CD1 4.39Å; L353-L451 HydrophobicContact CD2-CD1 4.35Å; L415-L451 HydrophobicContact CD1-CD2 4.42Å; H430-L451 VanDerWaalsContact CD2-CD2 3.48Å; H430-L451 WeakPolarHBondContact CD2-CD2 3.3Å; L451-F453 PolarHBondContact O-N 2.97Å; L451-F453 VanDerWaalsContact O-N 3.13Å; L451-A454 HydrophobicContact CB-CB 3.95Å; L451-A454 HydrophobicContact CD2-CB 4.28Å; L451-A454 WeakPolarHBondContact O-CB 3.46Å; L451-A454 PolarHBondContact O-N 3.42Å
452G88.1Confident83.4Confident1 Ų128.8 Ų28.81%0.0116%0.161CC..THydrogen-bonded Turntrans-65.7-13.7-17600000115.3R343 D450R343-G452 WeakPolarHBondContact CD-O 3.43Å; R343-G452 PolarHBondContact NH1-O 3.01Å; D450-G452 PolarHBondContact O-N 2.81Å
453F89.5Confident81.2Confident25 Ų2524.1 Ų24.111%0.1114%0.139CC..THydrogen-bonded Turntrans-113.6-1.5172.7-66.4-74.4000113.6Y315 R431 D432 L451 V474Y315-F453 HydrophobicContact CE2-CE2 4.16Å; Y315-F453 HydrophobicContact CE2-CZ 4.03Å; Y315-F453 AromaticContact CZ-CZ 3.99Å; Y315-F453 WeakPolarHBondContact OH-CZ 3.4Å; R431-F453 HydrophobicContact CB-CB 4.36Å; R431-F453 WeakPolarHBondContact CD-O 2.87Å; D432-F453 HydrophobicContact CB-CB 4.26Å; D432-F453 HydrophobicContact CB-CD2 3.73Å; D432-F453 HydrophobicContact CB-CE2 4.5Å; D432-F453 HydrophobicContact CB-CG 4.33Å; L451-F453 PolarHBondContact O-N 2.97Å; L451-F453 VanDerWaalsContact O-N 3.13Å; F453-V474 HydrophobicContact CB-CG2 4.34Å; F453-V474 HydrophobicContact CD1-CB 3.57Å; F453-V474 HydrophobicContact CD1-CG1 3.87Å; F453-V474 HydrophobicContact CD1-CG2 3.99Å; F453-V474 HydrophobicContact CE1-CB 3.86Å; F453-V474 HydrophobicContact CE1-CG1 3.99Å; F453-V474 HydrophobicContact CG-CB 4.33Å; F453-V474 HydrophobicContact CG-CG2 4.43Å
454A91.9Very high78.8Confident2 Ų221.1 Ų21.12%0.01712%0.124CC..  trans-64.5149.3-175.600000111.1I347 I428 A429 L451I347-A454 HydrophobicContact CD1-CB 4.15Å; I347-A454 HydrophobicContact CG1-CB 4.06Å; I347-A454 HydrophobicContact CG2-CB 4.12Å; I428-A454 HydrophobicContact CG2-CB 3.94Å; A429-A454 CarbonylContact O-C 3.49Å; A429-A454 WeakPolarHBondContact O-CA 3.37Å; A429-A454 WeakPolarHBondContact O-CB 3.39Å; L451-A454 HydrophobicContact CB-CB 3.95Å; L451-A454 HydrophobicContact CD2-CB 4.28Å; L451-A454 WeakPolarHBondContact O-CB 3.46Å; L451-A454 PolarHBondContact O-N 3.42Å
455L88.2Confident76.3Confident5 Ų524.7 Ų24.73%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-128.2121.8-177.1-178.869.6000108.9I428 A429 L457 E466 V467 F497I428-L455 VanDerWaalsContact CA-O 3.29Å; I428-L455 WeakPolarHBondContact CA-O 3.15Å; A429-L455 PolarHBondContact N-O 3.14Å; A429-L455 PolarHBondContact O-N 3.22Å; L455-L457 HydrophobicContact CD2-CD2 3.78Å; L455-L457 HydrophobicContact CG-CD2 4.09Å; L455-L457 PolarHBondContact O-N 2.87Å; L455-E466 HydrophobicContact CD1-CB 4.4Å; L455-V467 HydrophobicContact CD1-CG2 4.29Å; L455-V467 HydrophobicContact CD2-CG2 3.33Å; L455-V467 HydrophobicContact CG-CG2 4.46Å; L455-F497 HydrophobicContact CD2-CD2 4.26Å; L455-F497 HydrophobicContact CD2-CE2 4.21Å; L455-F497 HydrophobicContact CD2-CZ 4.42Å
456K87.3Confident73.8Confident46 Ų4627 Ų2720%0.215%0.153CC..EExtended strand (participates in β ladder)trans-64.8123.5164.4-72.8164.1179.3168.20107.1D346 I347 T350 P426 I428 D458 S463D346-K456 PolarHBondContact O-NZ 2.87Å; D346-K456 IonicContact OD1-NZ 2.72Å; D346-K456 PolarHBondContact OD1-NZ 3.49Å; D346-K456 IonicContact OD2-NZ 3.94Å; D346-K456 PolarHBondContact OD2-NZ 3.3Å; I347-K456 HydrophobicContact CD1-CD 4.36Å; I347-K456 HydrophobicContact CD1-CG 3.83Å; T350-K456 WeakPolarHBondContact OG1-CE 3.13Å; T350-K456 PolarHBondContact OG1-NZ 2.84Å; P426-K456 HydrophobicContact CG-CB 4.08Å; P426-K456 HydrophobicContact CG-CD 4.47Å; P426-K456 HydrophobicContact CG-CG 3.97Å; I428-K456 HydrophobicContact CG1-CG 4.32Å; K456-D458 PolarHBondContact O-N 3.18Å; K456-S463 PolarHBondContact O-OG 2.92Å
457L83.4Confident71.6Confident10 Ų1027 Ų275%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-97.371.9177.8-58.9177.8000107.2A427 A429 L455 P494 F497 K498A427-L457 HydrophobicContact CB-CB 4.06Å; A427-L457 HydrophobicContact CB-CD1 4.19Å; A427-L457 WeakPolarHBondContact O-CA 3.25Å; A427-L457 VanDerWaalsContact O-CB 3.32Å; A427-L457 WeakPolarHBondContact O-CB 3.43Å; A427-L457 PolarHBondContact O-N 2.94Å; A429-L457 HydrophobicContact CB-CD1 4.04Å; A429-L457 HydrophobicContact CB-CD2 4.41Å; A429-L457 HydrophobicContact CB-CG 4.39Å; L455-L457 HydrophobicContact CD2-CD2 3.78Å; L455-L457 HydrophobicContact CG-CD2 4.09Å; L455-L457 PolarHBondContact O-N 2.87Å; L457-P494 HydrophobicContact CB-CB 3.97Å; L457-P494 HydrophobicContact CD1-CB 4.34Å; L457-P494 VanDerWaalsContact CD1-O 3.25Å; L457-P494 WeakPolarHBondContact CD1-O 3.37Å; L457-P494 HydrophobicContact CD2-CB 4.07Å; L457-P494 HydrophobicContact CG-CB 4.34Å; L457-F497 HydrophobicContact CD2-CB 4.37Å; L457-F497 HydrophobicContact CD2-CD2 3.89Å; L457-F497 HydrophobicContact CD2-CG 4.44Å; L457-K498 HydrophobicContact CD1-CD 4.07Å; L457-K498 HydrophobicContact CD1-CG 3.64Å
458D69.9Low69Low50 Ų5028 Ų2827%0.26716%0.158SC..  trans-73.4154.5172.963.9-12.2000110.4K456 S460 S463K456-D458 PolarHBondContact O-N 3.18Å; D458-S460 VanDerWaalsContact CG-OG 3.24Å; D458-S460 PolarHBondContact O-N 3.16Å; D458-S460 VanDerWaalsContact OD2-CB 3.28Å; D458-S460 WeakPolarHBondContact OD2-CB 3.37Å; D458-S460 PolarHBondContact OD2-OG 3.39Å; D458-S463 PolarHBondContact N-OG 2.92Å; D458-S463 WeakPolarHBondContact OD1-CB 3.42Å; D458-S463 PolarHBondContact OD1-N 3.37Å; D458-S463 PolarHBondContact OD1-OG 3.08Å
459S52.9Low66.4Low83 Ų8331.6 Ų31.658%0.5818%0.183SC*.SBendtrans-67.2-15.1170.9510000111.7
460S45.9Very low64Low19 Ų1934.6 Ų34.613%0.13320%0.198CC..SBendtrans-72.7138.4172.41100000109.4D458 S462D458-S460 VanDerWaalsContact CG-OG 3.24Å; D458-S460 PolarHBondContact O-N 3.16Å; D458-S460 VanDerWaalsContact OD2-CB 3.28Å; D458-S460 WeakPolarHBondContact OD2-CB 3.37Å; D458-S460 PolarHBondContact OD2-OG 3.39Å; S460-S462 PolarHBondContact O-N 3.14Å; S460-S462 WeakPolarHBondContact OG-CB 3.45Å; S460-S462 PolarHBondContact OG-N 3.19Å; S460-S462 PolarHBondContact OG-OG 3.08Å
461M44.4Very low62.2Low19 Ų1935.5 Ų35.59%0.09421%0.208CC..THydrogen-bonded Turntrans-61.5-3175.5-94.8-137.599.400113.7L7 W41 P48 Y50 Y51 S463 A464 L465L7-M461 HydrophobicContact CD1-CE 3.79Å; L7-M461 HydrophobicContact CD2-CE 3.28Å; L7-M461 HydrophobicContact CD2-SD 4.19Å; L7-M461 HydrophobicContact CG-CE 4.12Å; W41-M461 HydrophobicContact CH2-CB 4.15Å; W41-M461 HydrophobicContact CH2-CG 3.41Å; W41-M461 VanDerWaalsContact CH2-CG 3.41Å; W41-M461 HydrophobicContact CZ2-CB 4.16Å; W41-M461 HydrophobicContact CZ2-CG 3.92Å; W41-M461 HydrophobicContact CZ3-CG 4.31Å; P48-M461 HydrophobicContact CG-CB 4.38Å; Y50-M461 HydrophobicContact CD1-SD 4.32Å; Y51-M461 HydrophobicContact CD2-SD 4.12Å; Y51-M461 HydrophobicContact CE1-SD 4.22Å; Y51-M461 HydrophobicContact CE2-CG 3.73Å; Y51-M461 HydrophobicContact CE2-SD 3.17Å; Y51-M461 WeakPolarHBondContact CE2-SD 3.18Å; Y51-M461 PolarHBondContact OH-SD 3.32Å; M461-S463 PolarHBondContact O-N 3.21Å; M461-A464 HydrophobicContact CE-CB 3.3Å; M461-A464 WeakPolarHBondContact O-CA 3.44Å; M461-A464 WeakPolarHBondContact O-CB 3.23Å; M461-A464 PolarHBondContact O-N 3.11Å; M461-L465 PolarHBondContact O-N 3.43Å
462S46.6Very low60.4Low58 Ų5836.8 Ų36.841%0.40622%0.215SC..Hα-helixtrans-54.9-39.6178.1-51.30000110.8S460 A464 L465 E466S460-S462 PolarHBondContact O-N 3.14Å; S460-S462 WeakPolarHBondContact OG-CB 3.45Å; S460-S462 PolarHBondContact OG-N 3.19Å; S460-S462 PolarHBondContact OG-OG 3.08Å; S462-A464 VanDerWaalsContact C-N 3.3Å; S462-A464 PolarHBondContact O-N 2.91Å; S462-L465 PolarHBondContact O-N 3.41Å; S462-L465 VanDerWaalsContact O-N 3.1Å; S462-E466 PolarHBondContact O-N 3.22Å
463S49.2Very low59.6Low11 Ų1140.5 Ų40.58%0.07723%0.229CC..Hα-helixtrans-50.4-47.7168.9-67.30000112.8K456 D458 M461 L465 E466 V467K456-S463 PolarHBondContact O-OG 2.92Å; D458-S463 PolarHBondContact N-OG 2.92Å; D458-S463 WeakPolarHBondContact OD1-CB 3.42Å; D458-S463 PolarHBondContact OD1-N 3.37Å; D458-S463 PolarHBondContact OD1-OG 3.08Å; M461-S463 PolarHBondContact O-N 3.21Å; S463-L465 PolarHBondContact O-N 2.82Å; S463-E466 PolarHBondContact O-N 3.33Å; S463-V467 VanDerWaalsContact O-CB 3.31Å; S463-V467 WeakPolarHBondContact O-CB 3.28Å; S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.33Å
464A45.9Very low58.8Low10 Ų1040 Ų408%0.08323%0.227CC..Hα-helixtrans-68.4-33.9-179.600000112.2M461 S462 N468M461-A464 HydrophobicContact CE-CB 3.3Å; M461-A464 WeakPolarHBondContact O-CA 3.44Å; M461-A464 WeakPolarHBondContact O-CB 3.23Å; M461-A464 PolarHBondContact O-N 3.11Å; S462-A464 VanDerWaalsContact C-N 3.3Å; S462-A464 PolarHBondContact O-N 2.91Å; A464-N468 WeakPolarHBondContact O-CB 3.35Å; A464-N468 PolarHBondContact O-N 2.96Å; A464-N468 PolarHBondContact O-ND2 2.77Å; A464-N468 VanDerWaalsContact O-ND2 3.15Å; A464-N468 PolarHBondContact O-OD1 2.86Å
465L43Very low58.4Low79 Ų7941 Ų4141%0.41424%0.237SC..Hα-helixtrans-70.1-39174.8-65.5172000112.1Y50 M461 S462 S463 N468 S469Y50-L465 HydrophobicContact CD2-CD2 4.44Å; M461-L465 PolarHBondContact O-N 3.43Å; S462-L465 PolarHBondContact O-N 3.41Å; S462-L465 VanDerWaalsContact O-N 3.1Å; S463-L465 PolarHBondContact O-N 2.82Å; L465-N468 PolarHBondContact O-N 3Å; L465-S469 PolarHBondContact O-N 3.31Å; L465-S469 VanDerWaalsContact O-N 3.07Å; L465-S469 PolarHBondContact O-OG 3.31Å
466E47.4Very low58.4Low108 Ų10843 Ų4351%0.50525%0.25SC..Hα-helixtrans-65.8-41.3172-73.2-164164.100111.9L455 S462 S463 S469 N470L455-E466 HydrophobicContact CD1-CB 4.4Å; S462-E466 PolarHBondContact O-N 3.22Å; S463-E466 PolarHBondContact O-N 3.33Å; E466-S469 PolarHBondContact O-N 2.73Å; E466-S469 PolarHBondContact O-OG 3.21Å; E466-S469 VanDerWaalsContact O-OG 3.11Å; E466-N470 PolarHBondContact O-N 2.91Å; E466-N470 VanDerWaalsContact O-N 3.11Å
467V51Low58.8Low1 Ų143.9 Ų43.91%0.00625%0.254CS..Hα-helixtrans-59.3-48.2173.2165.90000110.6L455 S463 S469 N470 L491 F497L455-V467 HydrophobicContact CD1-CG2 4.29Å; L455-V467 HydrophobicContact CD2-CG2 3.33Å; L455-V467 HydrophobicContact CG-CG2 4.46Å; S463-V467 VanDerWaalsContact O-CB 3.31Å; S463-V467 WeakPolarHBondContact O-CB 3.28Å; S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.33Å; V467-S469 VanDerWaalsContact C-N 3.35Å; V467-S469 PolarHBondContact O-N 3.1Å; V467-N470 CarbonylContact O-C 3.59Å; V467-N470 PolarHBondContact O-N 2.72Å; V467-L491 HydrophobicContact CG1-CB 4.19Å; V467-L491 HydrophobicContact CG1-CD1 4.06Å; V467-L491 HydrophobicContact CG1-CD2 3.65Å; V467-L491 HydrophobicContact CG1-CG 4.16Å; V467-F497 HydrophobicContact CB-CZ 4.48Å; V467-F497 HydrophobicContact CG1-CZ 3.91Å; V467-F497 HydrophobicContact CG2-CE1 4.34Å; V467-F497 HydrophobicContact CG2-CE2 4.2Å; V467-F497 HydrophobicContact CG2-CZ 3.69Å
468N45.4Very low59.4Low22 Ų2243.8 Ų43.812%0.11825%0.253CS..Hα-helixtrans-60.8-43.2-179.7-73.3-22.6000111.7A10 A464 L465A10-N468 HydrophobicContact CB-CB 4.45Å; A10-N468 WeakPolarHBondContact CB-O 3.41Å; A464-N468 WeakPolarHBondContact O-CB 3.35Å; A464-N468 PolarHBondContact O-N 2.96Å; A464-N468 PolarHBondContact O-ND2 2.77Å; A464-N468 VanDerWaalsContact O-ND2 3.15Å; A464-N468 PolarHBondContact O-OD1 2.86Å; L465-N468 PolarHBondContact O-N 3Å
469S44.7Very low60.7Low75 Ų7541.9 Ų41.952%0.52424%0.242SC..Hα-helixtrans-75.5-23.5-17753.90000113.8L465 E466 V467L465-S469 PolarHBondContact O-N 3.31Å; L465-S469 VanDerWaalsContact O-N 3.07Å; L465-S469 PolarHBondContact O-OG 3.31Å; E466-S469 PolarHBondContact O-N 2.73Å; E466-S469 PolarHBondContact O-OG 3.21Å; E466-S469 VanDerWaalsContact O-OG 3.11Å; V467-S469 VanDerWaalsContact C-N 3.35Å; V467-S469 PolarHBondContact O-N 3.1Å
470N45.4Very low62.8Low64 Ų6438.6 Ų38.634%0.34222%0.218SC..SBendtrans-137.690-176.2-68.5-56000111.9E466 V467E466-N470 PolarHBondContact O-N 2.91Å; E466-N470 VanDerWaalsContact O-N 3.11Å; V467-N470 CarbonylContact O-C 3.59Å; V467-N470 PolarHBondContact O-N 2.72Å
471S53.2Low65.2Low58 Ų5837.7 Ų37.741%0.40621%0.212SC..  trans62.292.6152.546.90000115.9R431 R473 V474R431-S471 PolarHBondContact NH2-O 2.61Å; S471-R473 PolarHBondContact O-N 3.19Å; S471-R473 VanDerWaalsContact O-N 3.09Å; S471-V474 WeakPolarHBondContact O-CG1 3.39Å; S471-V474 WeakPolarHBondContact OG-CG1 3.44Å
472D55.8Low67.6Low26 Ų2637.3 Ų37.314%0.13921%0.21CC..SBendtrans-53.3-28.5169.3-56.7-30.6000112.2A11 L491A11-D472 WeakPolarHBondContact CB-OD2 3.24Å; D472-L491 WeakPolarHBondContact OD1-CD1 3.18Å
473R70.4Confident69.7Low80 Ų8035 Ų3530%0.30219%0.193SC..SBendtrans-118.488.6179.8-167.2-172.2-64.4172.8-8.9111.1S471 M480 V484 L485 N487 V541S471-R473 PolarHBondContact O-N 3.19Å; S471-R473 VanDerWaalsContact O-N 3.09Å; R473-M480 HydrophobicContact CG-CE 3.67Å; R473-M480 HydrophobicContact CG-SD 3.79Å; R473-V484 HydrophobicContact CG-CG1 4.34Å; R473-L485 PolarHBondContact NH2-O 2.99Å; R473-N487 VanDerWaalsContact CZ-OD1 3.24Å; R473-N487 PolarHBondContact NE-OD1 3.02Å; R473-N487 PolarHBondContact NH2-ND2 3.45Å; R473-N487 PolarHBondContact NH2-OD1 3.48Å; R473-V541 VanDerWaalsContact CZ-CG1 3.47Å
474V73.4Confident71.7Confident14 Ų1435 Ų359%0.08519%0.193CC..  trans-116.6161.7172.2-65.60000112.2R431 F453 S471 M480R431-V474 HydrophobicContact CB-CG2 4.14Å; R431-V474 VanDerWaalsContact CZ-CG2 3.41Å; F453-V474 HydrophobicContact CB-CG2 4.34Å; F453-V474 HydrophobicContact CD1-CB 3.57Å; F453-V474 HydrophobicContact CD1-CG1 3.87Å; F453-V474 HydrophobicContact CD1-CG2 3.99Å; F453-V474 HydrophobicContact CE1-CB 3.86Å; F453-V474 HydrophobicContact CE1-CG1 3.99Å; F453-V474 HydrophobicContact CG-CB 4.33Å; F453-V474 HydrophobicContact CG-CG2 4.43Å; S471-V474 WeakPolarHBondContact O-CG1 3.39Å; S471-V474 WeakPolarHBondContact OG-CG1 3.44Å; V474-M480 WeakPolarHBondContact O-CE 3.32Å
475G81.9Confident73.8Confident22 Ų2234.6 Ų34.623%0.22719%0.189CC..SBendtrans97.4-172178.200000112.4D432 K477 M480D432-G475 VanDerWaalsContact OD1-CA 3.25Å; D432-G475 WeakPolarHBondContact OD1-CA 3.38Å; G475-K477 PolarHBondContact O-N 3.12Å; G475-M480 WeakPolarHBondContact O-CE 3.43Å
476T89.7Confident75.8Confident47 Ų4733.1 Ų33.129%0.28818%0.182SC..  trans-86112.8-173.2-540000109.8D432 K434 R478 Y479 M480D432-T476 WeakPolarHBondContact OD1-CB 3.28Å; D432-T476 PolarHBondContact OD1-N 3.48Å; D432-T476 PolarHBondContact OD1-OG1 2.81Å; K434-T476 HydrophobicContact CD-CG2 4.24Å; K434-T476 WeakPolarHBondContact CD-OG1 3.36Å; K434-T476 WeakPolarHBondContact CE-OG1 3.47Å; K434-T476 PolarHBondContact NZ-OG1 2.82Å; T476-R478 PolarHBondContact O-N 3.36Å; T476-Y479 HydrophobicContact CG2-CD2 3.83Å; T476-Y479 HydrophobicContact CG2-CE2 4.26Å; T476-Y479 PolarHBondContact O-N 3.35Å; T476-M480 PolarHBondContact O-N 2.74Å
477K94.4Very high77.5Confident65 Ų6532.2 Ų32.228%0.28318%0.18SC..G310 helixtrans-45.5-42.3-172.1-49.8160.4-163.9146.60113.8G475 Y479 M480 D538 P539 V541 M544G475-K477 PolarHBondContact O-N 3.12Å; K477-Y479 PolarHBondContact O-N 2.85Å; K477-M480 HydrophobicContact CB-SD 4.47Å; K477-M480 WeakPolarHBondContact O-CB 3.37Å; K477-M480 PolarHBondContact O-N 2.88Å; K477-D538 IonicContact NZ-OD1 3.99Å; K477-D538 PolarHBondContact NZ-OD1 3.28Å; K477-D538 IonicContact NZ-OD2 3.37Å; K477-P539 WeakPolarHBondContact CD-O 3.44Å; K477-P539 PolarHBondContact NZ-O 3.5Å; K477-V541 HydrophobicContact CD-CG2 4.14Å; K477-V541 HydrophobicContact CG-CG2 3.98Å; K477-M544 HydrophobicContact CB-CG 4.33Å
478R97.3Very high78.8Confident9 Ų936.1 Ų36.13%0.03420%0.204CC..G310 helixtrans-57.6-29178.5-174.8-178.6-65.8-72-1.5114.3T476 P530 Y531 S536 A537 P539T476-R478 PolarHBondContact O-N 3.36Å; R478-P530 WeakPolarHBondContact CD-O 3.46Å; R478-P530 HydrophobicContact CG-CB 4.4Å; R478-P530 VanDerWaalsContact CG-O 3.25Å; R478-P530 WeakPolarHBondContact CG-O 3.39Å; R478-P530 PolarHBondContact NH1-O 3.41Å; R478-Y531 HydrophobicContact CG-CD2 4.5Å; R478-S536 PolarHBondContact NH2-O 2.88Å; R478-A537 PolarHBondContact NH2-O 3.02Å; R478-P539 HydrophobicContact CB-CG 4.43Å
479Y98Very high80.4Confident9 Ų935.8 Ų35.84%0.03520%0.203CC..G310 helixtrans-102.8-2.4-176.6-65.3-97.4000113.3K434 S435 T476 K477 S504 L507 V508 E511 L529 P530K434-Y479 HydrophobicContact CB-CD1 3.82Å; K434-Y479 HydrophobicContact CB-CD2 3.76Å; K434-Y479 HydrophobicContact CB-CE1 3.76Å; K434-Y479 HydrophobicContact CB-CE2 3.71Å; K434-Y479 HydrophobicContact CB-CG 3.82Å; S435-Y479 PolarHBondContact OG-OH 3.07Å; T476-Y479 HydrophobicContact CG2-CD2 3.83Å; T476-Y479 HydrophobicContact CG2-CE2 4.26Å; T476-Y479 PolarHBondContact O-N 3.35Å; K477-Y479 PolarHBondContact O-N 2.85Å; Y479-S504 PolarHBondContact O-OG 2.86Å; Y479-L507 HydrophobicContact CD1-CB 4.13Å; Y479-L507 HydrophobicContact CD1-CD1 4.19Å; Y479-L507 HydrophobicContact CE1-CB 4.42Å; Y479-V508 HydrophobicContact CE1-CG2 4.37Å; Y479-E511 WeakPolarHBondContact CE1-OE2 3.44Å; Y479-E511 PolarHBondContact OH-OE1 3.27Å; Y479-E511 PolarHBondContact OH-OE2 2.79Å; Y479-E511 VanDerWaalsContact OH-OE2 3.1Å; Y479-L529 VanDerWaalsContact OH-CD2 3.32Å; Y479-L529 WeakPolarHBondContact OH-CD2 3.5Å; Y479-P530 HydrophobicContact CE1-CG 3.86Å
480M96.4Very high81.7Confident14 Ų1437 Ų377%0.06920%0.196CC..  trans-68.4138.3-178.5-73.1176.3172.100111R473 V474 G475 T476 K477 V484 L485 Y503R473-M480 HydrophobicContact CG-CE 3.67Å; R473-M480 HydrophobicContact CG-SD 3.79Å; V474-M480 WeakPolarHBondContact O-CE 3.32Å; G475-M480 WeakPolarHBondContact O-CE 3.43Å; T476-M480 PolarHBondContact O-N 2.74Å; K477-M480 HydrophobicContact CB-SD 4.47Å; K477-M480 WeakPolarHBondContact O-CB 3.37Å; K477-M480 PolarHBondContact O-N 2.88Å; M480-V484 HydrophobicContact CB-CB 4.24Å; M480-V484 HydrophobicContact CB-CG1 4.18Å; M480-V484 HydrophobicContact CE-CG1 4.43Å; M480-V484 HydrophobicContact CG-CG1 3.95Å; M480-V484 HydrophobicContact SD-CG1 3.97Å; M480-L485 HydrophobicContact CB-CD2 3.77Å; M480-L485 HydrophobicContact CB-CG 3.76Å; M480-L485 HydrophobicContact SD-CD2 4.02Å; M480-Y503 VanDerWaalsContact O-CE1 3.25Å; M480-Y503 WeakPolarHBondContact O-CE1 3.49Å
481A96Very high82.8Confident1 Ų135.3 Ų35.31%0.00819%0.186CC..  trans-67.1156172.300000111.8E483 V484 L485 A500 Y503A481-E483 VanDerWaalsContact C-N 3.27Å; A481-E483 WeakPolarHBondContact CB-OE1 3.46Å; A481-E483 WeakPolarHBondContact CB-OE2 3.46Å; A481-E483 PolarHBondContact O-N 3.15Å; A481-V484 HydrophobicContact CB-CG2 4.29Å; A481-V484 WeakPolarHBondContact O-CB 3.37Å; A481-V484 PolarHBondContact O-N 3.44Å; A481-L485 PolarHBondContact O-N 3.4Å; A481-A500 HydrophobicContact CB-CB 3.99Å; A481-Y503 VanDerWaalsContact CA-CD1 3.48Å; A481-Y503 HydrophobicContact CB-CD1 4Å; A481-Y503 HydrophobicContact CB-CG 3.87Å
482P93.8Very high83Confident10 Ų1033.8 Ų33.87%0.06518%0.175CC..Hα-helixtrans-49.3-46179.7-25.429.1000113.6V484 L485 D486 Y503 V548 C549P482-V484 PolarHBondContact O-N 3.08Å; P482-L485 PolarHBondContact O-N 2.98Å; P482-D486 PolarHBondContact O-N 3.04Å; P482-D486 VanDerWaalsContact O-OD1 3.12Å; P482-Y503 HydrophobicContact CG-CE2 4.13Å; P482-V548 HydrophobicContact CB-CG1 4.2Å; P482-V548 HydrophobicContact CG-CG1 3.74Å; P482-C549 PolarHBondContact O-SG 2.68Å
483E90.8Very high83.7Confident9 Ų932.9 Ų32.94%0.04217%0.17CC..Hα-helixtrans-68.2-21.4-178.969.6-82.4-163.400113.7A481 D486 N487 T488 I489 P582 R585A481-E483 VanDerWaalsContact C-N 3.27Å; A481-E483 WeakPolarHBondContact CB-OE1 3.46Å; A481-E483 WeakPolarHBondContact CB-OE2 3.46Å; A481-E483 PolarHBondContact O-N 3.15Å; E483-D486 WeakPolarHBondContact CA-OD1 3.25Å; E483-N487 PolarHBondContact O-N 3.42Å; E483-T488 WeakPolarHBondContact CA-OG1 3.46Å; E483-T488 CarbonylContact O-C 3.5Å; E483-T488 PolarHBondContact O-N 3.17Å; E483-I489 HydrophobicContact CB-CB 4.33Å; E483-I489 HydrophobicContact CG-CB 3.98Å; E483-I489 HydrophobicContact CG-CG1 4.23Å; E483-I489 WeakPolarHBondContact O-CB 3.35Å; E483-I489 PolarHBondContact O-N 3.43Å; E483-P582 HydrophobicContact CB-CG 4.23Å; E483-P582 VanDerWaalsContact CD-CG 3.44Å; E483-P582 HydrophobicContact CG-CG 3.89Å; E483-R585 IonicContact OE1-CZ 3.52Å; E483-R585 IonicContact OE1-NH1 2.73Å; E483-R585 PolarHBondContact OE1-NH1 3.27Å; E483-R585 IonicContact OE1-NH2 2.7Å; E483-R585 IonicContact OE2-CZ 3.31Å; E483-R585 IonicContact OE2-NH1 2.82Å; E483-R585 PolarHBondContact OE2-NH1 3.23Å; E483-R585 IonicContact OE2-NH2 3.22Å; E483-R585 PolarHBondContact OE2-NH2 2.99Å
484V91.1Very high83.9Confident13 Ų1331.7 Ų31.78%0.07917%0.173CC..Hα-helixtrans-84.1-38.8174-179.60000110R473 M480 A481 P482 N487 I489 A500R473-V484 HydrophobicContact CG-CG1 4.34Å; M480-V484 HydrophobicContact CB-CB 4.24Å; M480-V484 HydrophobicContact CB-CG1 4.18Å; M480-V484 HydrophobicContact CE-CG1 4.43Å; M480-V484 HydrophobicContact CG-CG1 3.95Å; M480-V484 HydrophobicContact SD-CG1 3.97Å; A481-V484 HydrophobicContact CB-CG2 4.29Å; A481-V484 WeakPolarHBondContact O-CB 3.37Å; A481-V484 PolarHBondContact O-N 3.44Å; P482-V484 PolarHBondContact O-N 3.08Å; V484-N487 PolarHBondContact O-OD1 3.12Å; V484-I489 HydrophobicContact CG2-CD1 3.81Å; V484-A500 HydrophobicContact CG2-CB 3.91Å
485L90.2Very high84.4Confident0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-66.1-41.4178.2-71.8170000112.2R473 M480 A481 P482 V541 M544 V548R473-L485 PolarHBondContact NH2-O 2.99Å; M480-L485 HydrophobicContact CB-CD2 3.77Å; M480-L485 HydrophobicContact CB-CG 3.76Å; M480-L485 HydrophobicContact SD-CD2 4.02Å; A481-L485 PolarHBondContact O-N 3.4Å; P482-L485 PolarHBondContact O-N 2.98Å; L485-V541 HydrophobicContact CD2-CG1 3.97Å; L485-M544 HydrophobicContact CD1-CB 4.05Å; L485-M544 HydrophobicContact CD2-CB 3.66Å; L485-V548 HydrophobicContact CD1-CB 3.78Å; L485-V548 HydrophobicContact CD1-CG1 3.83Å; L485-V548 HydrophobicContact CD1-CG2 4.12Å
486D86.7Confident84.5Confident49 Ų4933.5 Ų33.526%0.26218%0.175SC..THydrogen-bonded Turntrans-91.30.9-178.668.611.3000114.3P482 E483 T488P482-D486 PolarHBondContact O-N 3.04Å; P482-D486 VanDerWaalsContact O-OD1 3.12Å; E483-D486 WeakPolarHBondContact CA-OD1 3.25Å; D486-T488 VanDerWaalsContact C-N 3.29Å; D486-T488 HydrophobicContact CB-CG2 4.39Å; D486-T488 VanDerWaalsContact CG-OG1 3.26Å; D486-T488 PolarHBondContact O-N 3.4Å; D486-T488 VanDerWaalsContact OD1-CB 3.22Å; D486-T488 WeakPolarHBondContact OD1-CB 3.44Å; D486-T488 VanDerWaalsContact OD1-CG2 3.24Å; D486-T488 WeakPolarHBondContact OD1-CG2 3.37Å; D486-T488 PolarHBondContact OD1-N 2.76Å; D486-T488 PolarHBondContact OD1-OG1 3.03Å; D486-T488 PolarHBondContact OD2-OG1 3.46Å
487N81.8Confident84.6Confident88 Ų8831.6 Ų31.647%0.47116%0.163SC..THydrogen-bonded Turntrans59.530.6-174.9-59.7-18.6000114.3R473 E483 V484R473-N487 VanDerWaalsContact CZ-OD1 3.24Å; R473-N487 PolarHBondContact NE-OD1 3.02Å; R473-N487 PolarHBondContact NH2-ND2 3.45Å; R473-N487 PolarHBondContact NH2-OD1 3.48Å; E483-N487 PolarHBondContact O-N 3.42Å; V484-N487 PolarHBondContact O-OD1 3.12Å
488T79.1Confident84.6Confident84 Ų8430 Ų3052%0.51516%0.156SC..  trans-96.42.5174.566.50000113.7E483 D486 R490E483-T488 WeakPolarHBondContact CA-OG1 3.46Å; E483-T488 CarbonylContact O-C 3.5Å; E483-T488 PolarHBondContact O-N 3.17Å; D486-T488 VanDerWaalsContact C-N 3.29Å; D486-T488 HydrophobicContact CB-CG2 4.39Å; D486-T488 VanDerWaalsContact CG-OG1 3.26Å; D486-T488 PolarHBondContact O-N 3.4Å; D486-T488 VanDerWaalsContact OD1-CB 3.22Å; D486-T488 WeakPolarHBondContact OD1-CB 3.44Å; D486-T488 VanDerWaalsContact OD1-CG2 3.24Å; D486-T488 WeakPolarHBondContact OD1-CG2 3.37Å; D486-T488 PolarHBondContact OD1-N 2.76Å; D486-T488 PolarHBondContact OD1-OG1 3.03Å; D486-T488 PolarHBondContact OD2-OG1 3.46Å; T488-R490 PolarHBondContact O-N 2.81Å
489I79.2Confident84.5Confident15 Ų1531 Ų318%0.07716%0.161CC..  trans-55.7130.1177.3-173.5164.8000111E483 V484 L491 A496 F497 A500E483-I489 HydrophobicContact CB-CB 4.33Å; E483-I489 HydrophobicContact CG-CB 3.98Å; E483-I489 HydrophobicContact CG-CG1 4.23Å; E483-I489 WeakPolarHBondContact O-CB 3.35Å; E483-I489 PolarHBondContact O-N 3.43Å; V484-I489 HydrophobicContact CG2-CD1 3.81Å; I489-L491 HydrophobicContact CG2-CD2 3.76Å; I489-L491 PolarHBondContact O-N 3.28Å; I489-A496 HydrophobicContact CD1-CB 4.43Å; I489-A496 HydrophobicContact CG1-CB 3.94Å; I489-F497 HydrophobicContact CD1-CD1 3.79Å; I489-F497 HydrophobicContact CD1-CE1 3.94Å; I489-F497 HydrophobicContact CD1-CG 4.48Å; I489-A500 HydrophobicContact CD1-CB 4.4Å
490R71.6Confident84.4Confident101 Ų10131.1 Ų31.138%0.38116%0.164SC..  trans-78.589.7-178.9-68.3-180176.8152.4-3.4110.3N72 T488 T492 S493 A496N72-R490 PolarHBondContact OD1-NH2 3.47Å; T488-R490 PolarHBondContact O-N 2.81Å; R490-T492 PolarHBondContact O-N 3.03Å; R490-T492 VanDerWaalsContact O-N 3.08Å; R490-S493 PolarHBondContact O-N 3.34Å; R490-A496 HydrophobicContact CB-CB 4.21Å; R490-A496 WeakPolarHBondContact O-CB 3.32Å
491L69Low84.5Confident27 Ų2730.5 Ų30.514%0.14116%0.161CC..THydrogen-bonded Turntrans-59-22.3177.4-50.5179.8000113P9 V467 D472 I489 S493 F497P9-L491 HydrophobicContact CB-CD1 4.28Å; P9-L491 HydrophobicContact CG-CD1 4.42Å; V467-L491 HydrophobicContact CG1-CB 4.19Å; V467-L491 HydrophobicContact CG1-CD1 4.06Å; V467-L491 HydrophobicContact CG1-CD2 3.65Å; V467-L491 HydrophobicContact CG1-CG 4.16Å; D472-L491 WeakPolarHBondContact OD1-CD1 3.18Å; I489-L491 HydrophobicContact CG2-CD2 3.76Å; I489-L491 PolarHBondContact O-N 3.28Å; L491-S493 VanDerWaalsContact C-N 3.25Å; L491-S493 PolarHBondContact O-N 3.38Å; L491-F497 HydrophobicContact CD2-CE1 4.19Å; L491-F497 HydrophobicContact CD2-CZ 3.83Å
492T57.5Low84.6Confident27 Ų2730.6 Ų30.617%0.16616%0.162CC..THydrogen-bonded Turntrans-74-15.6177.274.10000113.3L7 D86 R490L7-T492 HydrophobicContact CD1-CG2 3.3Å; D86-T492 WeakPolarHBondContact OD2-CG2 3.49Å; R490-T492 PolarHBondContact O-N 3.03Å; R490-T492 VanDerWaalsContact O-N 3.08Å
493S69.5Low84.9Confident6 Ų630.1 Ų30.14%0.04216%0.158CC..  trans-114.3108.6-178.2-177.20000109.5R490 L491 E495 A496R490-S493 PolarHBondContact O-N 3.34Å; L491-S493 VanDerWaalsContact C-N 3.25Å; L491-S493 PolarHBondContact O-N 3.38Å; S493-E495 PolarHBondContact O-N 3.16Å; S493-E495 VanDerWaalsContact O-N 3.09Å; S493-A496 VanDerWaalsContact O-CB 3.28Å; S493-A496 WeakPolarHBondContact O-CB 3.19Å; S493-A496 PolarHBondContact O-N 3.13Å
494P74.3Confident85.2Confident55 Ų5530.1 Ų30.136%0.35716%0.159SC..Hα-helixtrans-56.2-28.2174.8-24.433000112.9L457 A496 F497L457-P494 HydrophobicContact CB-CB 3.97Å; L457-P494 HydrophobicContact CD1-CB 4.34Å; L457-P494 VanDerWaalsContact CD1-O 3.25Å; L457-P494 WeakPolarHBondContact CD1-O 3.37Å; L457-P494 HydrophobicContact CD2-CB 4.07Å; L457-P494 HydrophobicContact CG-CB 4.34Å; P494-A496 VanDerWaalsContact C-N 3.27Å; P494-A496 PolarHBondContact O-N 2.71Å; P494-F497 PolarHBondContact O-N 3.39Å
495E83.3Confident85.6Confident70 Ų7029.5 Ų29.533%0.32716%0.156SC..Hα-helixtrans-65-28176.8-161.760.6-150.800113.2S493 F497 K498 Q499S493-E495 PolarHBondContact O-N 3.16Å; S493-E495 VanDerWaalsContact O-N 3.09Å; E495-F497 VanDerWaalsContact C-N 3.28Å; E495-F497 PolarHBondContact O-N 2.86Å; E495-K498 WeakPolarHBondContact O-CB 3.15Å; E495-K498 PolarHBondContact O-N 3.37Å; E495-K498 VanDerWaalsContact O-N 3.12Å; E495-K498 WeakPolarHBondContact OE2-CE 3.21Å; E495-K498 IonicContact OE2-NZ 3.54Å; E495-K498 PolarHBondContact OE2-NZ 3.22Å; E495-Q499 HydrophobicContact CG-CG 4.41Å; E495-Q499 WeakPolarHBondContact O-CG 3.5Å; E495-Q499 PolarHBondContact O-N 2.99Å
496A85.9Confident86Confident5 Ų529.5 Ų29.54%0.04116%0.156CC..Hα-helixtrans-61.3-36.9-179.300000112.1I489 R490 S493 P494 Q499 A500I489-A496 HydrophobicContact CD1-CB 4.43Å; I489-A496 HydrophobicContact CG1-CB 3.94Å; R490-A496 HydrophobicContact CB-CB 4.21Å; R490-A496 WeakPolarHBondContact O-CB 3.32Å; S493-A496 VanDerWaalsContact O-CB 3.28Å; S493-A496 WeakPolarHBondContact O-CB 3.19Å; S493-A496 PolarHBondContact O-N 3.13Å; P494-A496 VanDerWaalsContact C-N 3.27Å; P494-A496 PolarHBondContact O-N 2.71Å; A496-Q499 PolarHBondContact O-N 3.33Å; A496-A500 PolarHBondContact O-N 3.02Å
497F91.2Very high86.6Confident7 Ų727.2 Ų27.23%0.03114%0.143CC..Hα-helixtrans-68-36.4177-59.7-75.7000112.3A429 R431 L455 L457 V467 I489 L491 P494 E495 A500 D501A429-F497 HydrophobicContact CB-CB 3.43Å; A429-F497 VanDerWaalsContact CB-CB 3.43Å; R431-F497 HydrophobicContact CG-CD1 4.48Å; L455-F497 HydrophobicContact CD2-CD2 4.26Å; L455-F497 HydrophobicContact CD2-CE2 4.21Å; L455-F497 HydrophobicContact CD2-CZ 4.42Å; L457-F497 HydrophobicContact CD2-CB 4.37Å; L457-F497 HydrophobicContact CD2-CD2 3.89Å; L457-F497 HydrophobicContact CD2-CG 4.44Å; V467-F497 HydrophobicContact CB-CZ 4.48Å; V467-F497 HydrophobicContact CG1-CZ 3.91Å; V467-F497 HydrophobicContact CG2-CE1 4.34Å; V467-F497 HydrophobicContact CG2-CE2 4.2Å; V467-F497 HydrophobicContact CG2-CZ 3.69Å; I489-F497 HydrophobicContact CD1-CD1 3.79Å; I489-F497 HydrophobicContact CD1-CE1 3.94Å; I489-F497 HydrophobicContact CD1-CG 4.48Å; L491-F497 HydrophobicContact CD2-CE1 4.19Å; L491-F497 HydrophobicContact CD2-CZ 3.83Å; P494-F497 PolarHBondContact O-N 3.39Å; E495-F497 VanDerWaalsContact C-N 3.28Å; E495-F497 PolarHBondContact O-N 2.86Å; F497-A500 PolarHBondContact O-N 3.27Å; F497-D501 PolarHBondContact O-N 2.65Å; F497-D501 VanDerWaalsContact O-N 3.14Å
498K94.2Very high87.4Confident30 Ų3023 Ų2313%0.1312%0.121CC..Hα-helixtrans-66.6-42.4174.1-57.4-177-137.7168.10110.9H416 L457 E495 A500 D501 M502H416-K498 HydrophobicContact CB-CD 4Å; H416-K498 HydrophobicContact CB-CG 4.48Å; H416-K498 PolarHBondContact CE1-O 3.01Å; H416-K498 VanDerWaalsContact CE1-O 3.3Å; L457-K498 HydrophobicContact CD1-CD 4.07Å; L457-K498 HydrophobicContact CD1-CG 3.64Å; E495-K498 WeakPolarHBondContact O-CB 3.15Å; E495-K498 PolarHBondContact O-N 3.37Å; E495-K498 VanDerWaalsContact O-N 3.12Å; E495-K498 WeakPolarHBondContact OE2-CE 3.21Å; E495-K498 IonicContact OE2-NZ 3.54Å; E495-K498 PolarHBondContact OE2-NZ 3.22Å; K498-A500 VanDerWaalsContact C-N 3.27Å; K498-A500 PolarHBondContact O-N 3.23Å; K498-D501 WeakPolarHBondContact O-CB 3.41Å; K498-D501 PolarHBondContact O-N 3.07Å; K498-D501 VanDerWaalsContact O-N 3.15Å; K498-M502 WeakPolarHBondContact O-CG 3.48Å; K498-M502 PolarHBondContact O-N 3.41Å
499Q95.9Very high88.4Confident31 Ų3119 Ų1915%0.14510%0.096CC..Hα-helixtrans-63.7-32.9177.4-68.7166-10.200112.4E495 A496 M502 Y503 P582 R585E495-Q499 HydrophobicContact CG-CG 4.41Å; E495-Q499 WeakPolarHBondContact O-CG 3.5Å; E495-Q499 PolarHBondContact O-N 2.99Å; A496-Q499 PolarHBondContact O-N 3.33Å; Q499-M502 PolarHBondContact O-N 2.97Å; Q499-Y503 PolarHBondContact O-N 3.13Å; Q499-P582 HydrophobicContact CB-CB 3.85Å; Q499-P582 HydrophobicContact CG-CB 4.42Å; Q499-P582 WeakPolarHBondContact CG-O 3.19Å; Q499-P582 VanDerWaalsContact OE1-CB 3.22Å; Q499-R585 WeakPolarHBondContact O-CD 3.31Å; Q499-R585 PolarHBondContact O-NH1 3.46Å
500A95.7Very high89.3Confident12 Ų1218.4 Ų18.410%0.0999%0.093CC..Hα-helixtrans-65.8-44.6171.300000111.6A481 V484 I489 A496 F497 K498 M502 Y503 S504A481-A500 HydrophobicContact CB-CB 3.99Å; V484-A500 HydrophobicContact CG2-CB 3.91Å; I489-A500 HydrophobicContact CD1-CB 4.4Å; A496-A500 PolarHBondContact O-N 3.02Å; F497-A500 PolarHBondContact O-N 3.27Å; K498-A500 VanDerWaalsContact C-N 3.27Å; K498-A500 PolarHBondContact O-N 3.23Å; A500-M502 PolarHBondContact O-N 3.07Å; A500-Y503 WeakPolarHBondContact O-CB 3.29Å; A500-Y503 PolarHBondContact O-N 3.25Å; A500-Y503 VanDerWaalsContact O-N 3.12Å; A500-S504 PolarHBondContact O-N 3.02Å; A500-S504 PolarHBondContact O-OG 3.07Å
501D98.1Very high90.6Very high1 Ų113.6 Ų13.61%0.0058%0.075CC..Hα-helixtrans-58.6-34.9174.2-69.4-26000112.5L412 H416 A429 H430 R431 F497 K498 Y503 S504 L505L412-D501 HydrophobicContact CD1-CB 4.22Å; L412-D501 HydrophobicContact CD2-CB 4.47Å; H416-D501 IonicContact CD2-OD2 2.79Å; H416-D501 IonicContact CE1-OD2 3.89Å; H416-D501 IonicContact NE2-OD2 3.72Å; H416-D501 PolarHBondContact NE2-OD2 3.27Å; A429-D501 WeakPolarHBondContact CA-OD2 3.5Å; H430-D501 PolarHBondContact N-OD2 3.26Å; R431-D501 WeakPolarHBondContact CA-OD1 3.22Å; R431-D501 PolarHBondContact N-OD1 3.26Å; F497-D501 PolarHBondContact O-N 2.65Å; F497-D501 VanDerWaalsContact O-N 3.14Å; K498-D501 WeakPolarHBondContact O-CB 3.41Å; K498-D501 PolarHBondContact O-N 3.07Å; K498-D501 VanDerWaalsContact O-N 3.15Å; D501-Y503 VanDerWaalsContact C-N 3.3Å; D501-Y503 PolarHBondContact O-N 2.86Å; D501-S504 WeakPolarHBondContact O-CB 3.01Å; D501-S504 PolarHBondContact O-N 3.04Å; D501-L505 PolarHBondContact O-N 2.83Å
502M98.7Very high92Very high3 Ų312.3 Ų12.32%0.0157%0.068CC..Hα-helixtrans-66.6-33178.9-64.7-51.5-55.200112.5L412 K498 Q499 A500 L505 G506 C577 L586 A588 V591L412-M502 HydrophobicContact CD2-SD 3.7Å; K498-M502 WeakPolarHBondContact O-CG 3.48Å; K498-M502 PolarHBondContact O-N 3.41Å; Q499-M502 PolarHBondContact O-N 2.97Å; A500-M502 PolarHBondContact O-N 3.07Å; M502-L505 HydrophobicContact CE-CD2 3.46Å; M502-L505 VanDerWaalsContact CE-CD2 3.46Å; M502-L505 PolarHBondContact O-N 2.86Å; M502-L505 HydrophobicContact SD-CD2 4.29Å; M502-G506 PolarHBondContact O-N 3.35Å; M502-G506 VanDerWaalsContact O-N 3.14Å; M502-C577 WeakPolarHBondContact O-CB 3.46Å; M502-L586 VanDerWaalsContact CE-O 3.3Å; M502-L586 WeakPolarHBondContact CE-O 3.45Å; M502-L586 WeakPolarHBondContact CG-O 3.28Å; M502-A588 HydrophobicContact CE-CB 4.32Å; M502-A588 HydrophobicContact SD-CB 3.68Å; M502-A588 PolarHBondContact SD-N 3.44Å; M502-V591 HydrophobicContact CE-CB 4.41Å; M502-V591 HydrophobicContact CE-CG2 3.6Å
503Y98.7Very high93.9Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-63.2-48.2170.9-178-90.7000110.9M480 A481 P482 Q499 A500 D501 L505 G506 L507 Y531 V548 W578M480-Y503 VanDerWaalsContact O-CE1 3.25Å; M480-Y503 WeakPolarHBondContact O-CE1 3.49Å; A481-Y503 VanDerWaalsContact CA-CD1 3.48Å; A481-Y503 HydrophobicContact CB-CD1 4Å; A481-Y503 HydrophobicContact CB-CG 3.87Å; P482-Y503 HydrophobicContact CG-CE2 4.13Å; Q499-Y503 PolarHBondContact O-N 3.13Å; A500-Y503 WeakPolarHBondContact O-CB 3.29Å; A500-Y503 PolarHBondContact O-N 3.25Å; A500-Y503 VanDerWaalsContact O-N 3.12Å; D501-Y503 VanDerWaalsContact C-N 3.3Å; D501-Y503 PolarHBondContact O-N 2.86Å; Y503-L505 VanDerWaalsContact C-N 3.31Å; Y503-L505 PolarHBondContact O-N 3.14Å; Y503-G506 PolarHBondContact O-N 3.07Å; Y503-L507 HydrophobicContact CD1-CD1 4.03Å; Y503-L507 HydrophobicContact CD1-CG 4.44Å; Y503-L507 HydrophobicContact CE1-CD1 3.69Å; Y503-L507 HydrophobicContact CE1-CG 4.24Å; Y503-L507 PolarHBondContact O-N 2.96Å; Y503-Y531 PolarHBondContact OH-OH 3.18Å; Y503-V548 VanDerWaalsContact OH-CG1 3.23Å; Y503-V548 WeakPolarHBondContact OH-CG1 3.49Å; Y503-W578 AromaticContact CD2-CD1 3.79Å; Y503-W578 HydrophobicContact CD2-CG 4.49Å; Y503-W578 HydrophobicContact CE2-CB 4.31Å; Y503-W578 AromaticContact CE2-CD1 3.85Å; Y503-W578 HydrophobicContact CE2-CG 4.32Å
504S98.7Very high95.2Very high9 Ų912.4 Ų12.46%0.0637%0.065CC..Hα-helixtrans-59.1-40.2175.8-510000112.2L433 Y479 A500 D501 G506 L507 V508L433-S504 WeakPolarHBondContact O-CB 3.44Å; Y479-S504 PolarHBondContact O-OG 2.86Å; A500-S504 PolarHBondContact O-N 3.02Å; A500-S504 PolarHBondContact O-OG 3.07Å; D501-S504 WeakPolarHBondContact O-CB 3.01Å; D501-S504 PolarHBondContact O-N 3.04Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.14Å; S504-L507 WeakPolarHBondContact O-CB 3.35Å; S504-L507 PolarHBondContact O-N 2.7Å; S504-L507 VanDerWaalsContact O-N 3.14Å; S504-V508 PolarHBondContact O-N 2.85Å
505L98.9Very high96.3Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-59-44.1176-177.373.6000111.4I408 L412 L433 D501 M502 Y503 L507 V508 F509 V591I408-L505 HydrophobicContact CG2-CD1 3.6Å; L412-L505 HydrophobicContact CD2-CB 4.07Å; L412-L505 HydrophobicContact CD2-CD1 4.15Å; L412-L505 HydrophobicContact CD2-CD2 4Å; L412-L505 HydrophobicContact CD2-CG 4.29Å; L433-L505 HydrophobicContact CD2-CB 3.94Å; L433-L505 HydrophobicContact CD2-CD1 4.12Å; D501-L505 PolarHBondContact O-N 2.83Å; M502-L505 HydrophobicContact CE-CD2 3.46Å; M502-L505 VanDerWaalsContact CE-CD2 3.46Å; M502-L505 PolarHBondContact O-N 2.86Å; M502-L505 HydrophobicContact SD-CD2 4.29Å; Y503-L505 VanDerWaalsContact C-N 3.31Å; Y503-L505 PolarHBondContact O-N 3.14Å; L505-L507 VanDerWaalsContact C-N 3.27Å; L505-L507 PolarHBondContact O-N 2.92Å; L505-V508 PolarHBondContact O-N 2.93Å; L505-F509 HydrophobicContact CD1-CD1 4.2Å; L505-F509 HydrophobicContact CD1-CE1 3.65Å; L505-F509 HydrophobicContact CD1-CZ 4.27Å; L505-F509 HydrophobicContact CD2-CE1 4.31Å; L505-F509 HydrophobicContact CD2-CZ 4.13Å; L505-F509 HydrophobicContact CG-CD1 4.23Å; L505-F509 HydrophobicContact CG-CE1 3.85Å; L505-F509 HydrophobicContact CG-CZ 4.14Å; L505-F509 WeakPolarHBondContact O-CD1 3.36Å; L505-F509 PolarHBondContact O-N 3.24Å; L505-V591 HydrophobicContact CD2-CG1 4.42Å
506G98.8Very high96.9Very high0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-58.6-39.9176.200000112.2M502 Y503 S504 F509 W510 W578M502-G506 PolarHBondContact O-N 3.35Å; M502-G506 VanDerWaalsContact O-N 3.14Å; Y503-G506 PolarHBondContact O-N 3.07Å; S504-G506 VanDerWaalsContact C-N 3.33Å; S504-G506 PolarHBondContact O-N 3.14Å; G506-F509 WeakPolarHBondContact O-CB 3.48Å; G506-F509 PolarHBondContact O-N 3.21Å; G506-W510 PolarHBondContact O-N 2.89Å; G506-W510 VanDerWaalsContact O-N 3.08Å; G506-W578 VanDerWaalsContact C-NE1 3.3Å; G506-W578 VanDerWaalsContact O-CZ2 3.22Å; G506-W578 WeakPolarHBondContact O-CZ2 3.23Å
507L98.8Very high97.2Very high0 Ų07.9 Ų7.90%04%0.037CC..Hα-helixtrans-65.7-40.6176-60.2176.6000112.2Y479 Y503 S504 L505 F509 W510 E511 P530 Y531 P555 W578Y479-L507 HydrophobicContact CD1-CB 4.13Å; Y479-L507 HydrophobicContact CD1-CD1 4.19Å; Y479-L507 HydrophobicContact CE1-CB 4.42Å; Y503-L507 HydrophobicContact CD1-CD1 4.03Å; Y503-L507 HydrophobicContact CD1-CG 4.44Å; Y503-L507 HydrophobicContact CE1-CD1 3.69Å; Y503-L507 HydrophobicContact CE1-CG 4.24Å; Y503-L507 PolarHBondContact O-N 2.96Å; S504-L507 WeakPolarHBondContact O-CB 3.35Å; S504-L507 PolarHBondContact O-N 2.7Å; S504-L507 VanDerWaalsContact O-N 3.14Å; L505-L507 VanDerWaalsContact C-N 3.27Å; L505-L507 PolarHBondContact O-N 2.92Å; L507-F509 VanDerWaalsContact C-N 3.35Å; L507-W510 WeakPolarHBondContact O-CB 3.29Å; L507-W510 PolarHBondContact O-N 3.42Å; L507-E511 PolarHBondContact O-N 3.05Å; L507-E511 VanDerWaalsContact O-N 3.14Å; L507-P530 HydrophobicContact CB-CB 4.27Å; L507-P530 HydrophobicContact CB-CG 3.9Å; L507-P530 HydrophobicContact CD1-CB 4.45Å; L507-P530 HydrophobicContact CD2-CB 4.12Å; L507-Y531 HydrophobicContact CD1-CE2 4.18Å; L507-Y531 HydrophobicContact CD2-CE2 3.79Å; L507-P555 HydrophobicContact CD2-CG 3.63Å; L507-W578 HydrophobicContact CD2-CZ2 3.96Å
508V98.8Very high97.3Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-62.9-42.1174.2172.10000111.1L387 I408 I438 Y479 S504 L505 W510 E511 V512L387-V508 HydrophobicContact CD2-CG1 3.83Å; I408-V508 HydrophobicContact CD1-CG1 4.06Å; I438-V508 HydrophobicContact CD1-CB 4.46Å; I438-V508 HydrophobicContact CD1-CG1 3.67Å; I438-V508 HydrophobicContact CD1-CG2 4.08Å; Y479-V508 HydrophobicContact CE1-CG2 4.37Å; S504-V508 PolarHBondContact O-N 2.85Å; L505-V508 PolarHBondContact O-N 2.93Å; V508-W510 PolarHBondContact O-N 3.43Å; V508-E511 WeakPolarHBondContact O-CB 3.49Å; V508-E511 PolarHBondContact O-N 2.74Å; V508-V512 HydrophobicContact CG1-CG2 4.47Å; V508-V512 WeakPolarHBondContact O-CG2 3.46Å; V508-V512 PolarHBondContact O-N 2.83Å
509F98.8Very high97Very high0 Ų010.9 Ų10.90%05%0.048CC..Hα-helixtrans-59.7-37.8176.1-81.318.4000111.8V405 T409 L505 G506 L507 V512 T513 L570 I573 M574 V591 L595V405-F509 HydrophobicContact CB-CD1 3.98Å; V405-F509 HydrophobicContact CB-CE1 3.57Å; V405-F509 HydrophobicContact CB-CE2 4.27Å; V405-F509 HydrophobicContact CB-CG 4.5Å; V405-F509 HydrophobicContact CB-CZ 3.73Å; V405-F509 HydrophobicContact CG1-CD1 3.81Å; V405-F509 HydrophobicContact CG1-CE1 3.94Å; V405-F509 HydrophobicContact CG1-CG 4.2Å; V405-F509 HydrophobicContact CG1-CZ 4.42Å; T409-F509 VanDerWaalsContact OG1-CZ 3.29Å; T409-F509 WeakPolarHBondContact OG1-CZ 3.47Å; L505-F509 HydrophobicContact CD1-CD1 4.2Å; L505-F509 HydrophobicContact CD1-CE1 3.65Å; L505-F509 HydrophobicContact CD1-CZ 4.27Å; L505-F509 HydrophobicContact CD2-CE1 4.31Å; L505-F509 HydrophobicContact CD2-CZ 4.13Å; L505-F509 HydrophobicContact CG-CD1 4.23Å; L505-F509 HydrophobicContact CG-CE1 3.85Å; L505-F509 HydrophobicContact CG-CZ 4.14Å; L505-F509 WeakPolarHBondContact O-CD1 3.36Å; L505-F509 PolarHBondContact O-N 3.24Å; G506-F509 WeakPolarHBondContact O-CB 3.48Å; G506-F509 PolarHBondContact O-N 3.21Å; L507-F509 VanDerWaalsContact C-N 3.35Å; F509-V512 PolarHBondContact O-N 3.25Å; F509-T513 VanDerWaalsContact O-CB 3.28Å; F509-T513 WeakPolarHBondContact O-CB 3.3Å; F509-T513 PolarHBondContact O-N 2.81Å; F509-T513 PolarHBondContact O-OG1 2.93Å; F509-L570 HydrophobicContact CD2-CD2 4.1Å; F509-L570 HydrophobicContact CE2-CD2 4.18Å; F509-I573 HydrophobicContact CD2-CG2 4.12Å; F509-I573 HydrophobicContact CE2-CG2 3.89Å; F509-M574 HydrophobicContact CB-CG 3.71Å; F509-M574 HydrophobicContact CB-SD 3.92Å; F509-M574 HydrophobicContact CD2-CG 4.44Å; F509-V591 HydrophobicContact CE2-CG1 4.01Å; F509-V591 HydrophobicContact CZ-CG1 4.14Å; F509-L595 HydrophobicContact CE2-CD1 4.29Å; F509-L595 HydrophobicContact CZ-CD1 4Å
510W98.7Very high96.6Very high3 Ų316.4 Ų16.41%0.0118%0.078CC..Hα-helixtrans-62.8-46.5175.8-178.587.8000111.5G506 L507 V508 V512 T513 R514 Q528 P555 G556 M574 W578G506-W510 PolarHBondContact O-N 2.89Å; G506-W510 VanDerWaalsContact O-N 3.08Å; L507-W510 WeakPolarHBondContact O-CB 3.29Å; L507-W510 PolarHBondContact O-N 3.42Å; V508-W510 PolarHBondContact O-N 3.43Å; W510-V512 PolarHBondContact O-N 2.72Å; W510-T513 PolarHBondContact O-N 3.5Å; W510-R514 HydrophobicContact CD2-CG 4.15Å; W510-R514 HydrophobicContact CE3-CG 4.34Å; W510-R514 VanDerWaalsContact CZ2-CD 3.49Å; W510-R514 HydrophobicContact CZ2-CG 4.3Å; W510-R514 VanDerWaalsContact CZ3-CD 3.41Å; W510-R514 HydrophobicContact CZ3-CG 4.49Å; W510-R514 WeakPolarHBondContact O-CG 3.41Å; W510-R514 PolarHBondContact O-N 3.49Å; W510-Q528 HydrophobicContact CH2-CB 4.41Å; W510-P555 HydrophobicContact CD2-CB 3.65Å; W510-P555 HydrophobicContact CD2-CG 4.43Å; W510-P555 HydrophobicContact CE3-CB 4.3Å; W510-P555 HydrophobicContact CG-CB 3.9Å; W510-P555 HydrophobicContact CH2-CB 4.29Å; W510-P555 HydrophobicContact CZ2-CB 3.65Å; W510-G556 PolarHBondContact NE1-O 3.38Å; W510-M574 WeakPolarHBondContact CA-SD 3.45Å; W510-M574 HydrophobicContact CB-SD 3.7Å; W510-M574 PolarHBondContact N-SD 2.67Å; W510-W578 HydrophobicContact CB-CH2 3.91Å; W510-W578 HydrophobicContact CB-CZ2 3.9Å; W510-W578 AromaticContact CD1-CH2 3.89Å; W510-W578 HydrophobicContact CG-CH2 4.12Å; W510-W578 HydrophobicContact CG-CZ2 4.49Å
511E98.4Very high96.3Very high0 Ų018.6 Ų18.60%09%0.088CC..Hα-helixtrans-57.1-46.9176.2-66.8176.586.300112.1L391 S435 Y479 L507 V508 Y527 P530L391-E511 HydrophobicContact CD1-CB 4.08Å; S435-E511 WeakPolarHBondContact CB-OE1 3.45Å; S435-E511 WeakPolarHBondContact CB-OE2 3.1Å; S435-E511 PolarHBondContact OG-OE1 3.49Å; S435-E511 PolarHBondContact OG-OE2 2.84Å; Y479-E511 WeakPolarHBondContact CE1-OE2 3.44Å; Y479-E511 PolarHBondContact OH-OE1 3.27Å; Y479-E511 PolarHBondContact OH-OE2 2.79Å; Y479-E511 VanDerWaalsContact OH-OE2 3.1Å; L507-E511 PolarHBondContact O-N 3.05Å; L507-E511 VanDerWaalsContact O-N 3.14Å; V508-E511 WeakPolarHBondContact O-CB 3.49Å; V508-E511 PolarHBondContact O-N 2.74Å; E511-Y527 HydrophobicContact CB-CE2 4.37Å; E511-Y527 PolarHBondContact OE1-OH 2.89Å; E511-P530 HydrophobicContact CG-CG 3.96Å
512V98.5Very high96Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-63.9-42.1178.4-178.60000110.8L387 L391 L396 L401 V405 V508 F509 W510 R515 C516L387-V512 HydrophobicContact CD1-CG2 4.26Å; L387-V512 HydrophobicContact CD2-CG2 3.76Å; L387-V512 HydrophobicContact CG-CG2 4.39Å; L391-V512 HydrophobicContact CD1-CG2 4.08Å; L396-V512 HydrophobicContact CD1-CG1 4.42Å; L396-V512 HydrophobicContact CD2-CG1 4.24Å; L401-V512 HydrophobicContact CD1-CG1 4.12Å; L401-V512 HydrophobicContact CG-CG1 4.21Å; V405-V512 HydrophobicContact CG1-CB 4.32Å; V405-V512 HydrophobicContact CG1-CG1 4.1Å; V508-V512 HydrophobicContact CG1-CG2 4.47Å; V508-V512 WeakPolarHBondContact O-CG2 3.46Å; V508-V512 PolarHBondContact O-N 2.83Å; F509-V512 PolarHBondContact O-N 3.25Å; W510-V512 PolarHBondContact O-N 2.72Å; V512-R515 PolarHBondContact O-N 3.2Å; V512-C516 PolarHBondContact O-N 3.19Å
513T98Very high95.3Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-69-35.5-177-55.10000113L401 F509 W510 R515 C516 W561 I567 M574L401-T513 HydrophobicContact CD1-CG2 4.41Å; F509-T513 VanDerWaalsContact O-CB 3.28Å; F509-T513 WeakPolarHBondContact O-CB 3.3Å; F509-T513 PolarHBondContact O-N 2.81Å; F509-T513 PolarHBondContact O-OG1 2.93Å; W510-T513 PolarHBondContact O-N 3.5Å; T513-R515 PolarHBondContact O-N 2.83Å; T513-C516 WeakPolarHBondContact O-CB 3.37Å; T513-C516 PolarHBondContact O-N 2.45Å; T513-W561 HydrophobicContact CG2-CD2 3.98Å; T513-W561 HydrophobicContact CG2-CE3 3.62Å; T513-W561 HydrophobicContact CG2-CH2 3.85Å; T513-W561 HydrophobicContact CG2-CZ2 4.18Å; T513-W561 HydrophobicContact CG2-CZ3 3.54Å; T513-I567 HydrophobicContact CG2-CG2 3.6Å; T513-M574 HydrophobicContact CG2-CE 4.46Å
514R96.8Very high95Very high35 Ų3521 Ų2113%0.13211%0.106CC..Hα-helixtrans-58-32.9172.5-73.5-172.176.284.38113.4W510 C516 D525 W561W510-R514 HydrophobicContact CD2-CG 4.15Å; W510-R514 HydrophobicContact CE3-CG 4.34Å; W510-R514 VanDerWaalsContact CZ2-CD 3.49Å; W510-R514 HydrophobicContact CZ2-CG 4.3Å; W510-R514 VanDerWaalsContact CZ3-CD 3.41Å; W510-R514 HydrophobicContact CZ3-CG 4.49Å; W510-R514 WeakPolarHBondContact O-CG 3.41Å; W510-R514 PolarHBondContact O-N 3.49Å; R514-C516 VanDerWaalsContact C-N 3.25Å; R514-D525 IonicContact NH2-OD2 3.7Å; R514-D525 PolarHBondContact O-N 2.93Å; R514-W561 HydrophobicContact CB-CZ2 4.41Å; R514-W561 HydrophobicContact CG-CH2 3.75Å; R514-W561 HydrophobicContact CG-CZ2 3.86Å
515R96.7Very high94.7Very high4 Ų423 Ų232%0.01512%0.116CC..THydrogen-bonded Turntrans-89.69.9178.2-59.7-57.6-63.7151.62.3112.6L391 H394 C395 L396 V512 T513 D525 Y527 C632L391-R515 HydrophobicContact CB-CG 4.1Å; L391-R515 HydrophobicContact CD2-CB 3.9Å; L391-R515 HydrophobicContact CD2-CG 4.06Å; L391-R515 WeakPolarHBondContact O-CD 3.36Å; L391-R515 PolarHBondContact O-NE 3.12Å; H394-R515 PolarHBondContact O-NE 3.26Å; H394-R515 PolarHBondContact O-NH2 3.18Å; C395-R515 CarbonylContact C-O 3.55Å; C395-R515 WeakPolarHBondContact CA-O 3.45Å; C395-R515 WeakPolarHBondContact CB-O 3.5Å; L396-R515 HydrophobicContact CD1-CB 4.11Å; L396-R515 PolarHBondContact N-O 3.32Å; V512-R515 PolarHBondContact O-N 3.2Å; T513-R515 PolarHBondContact O-N 2.83Å; R515-D525 WeakPolarHBondContact CD-O 3.26Å; R515-D525 PolarHBondContact NH1-O 3.33Å; R515-Y527 HydrophobicContact CG-CD2 4.25Å; R515-C632 PolarHBondContact NH2-O 3.28Å
516C96.2Very high94.3Very high0 Ų026.8 Ų26.80%013%0.134CC..BIsolated β-bridgetrans-73.3132.4169.7-1630000110.3L396 L401 V512 T513 R514 F522 I567L396-C516 CarbonylContact O-C 3.6Å; L396-C516 VanDerWaalsContact O-CA 3.23Å; L396-C516 WeakPolarHBondContact O-CA 3.5Å; L401-C516 HydrophobicContact CD1-CB 3.67Å; V512-C516 PolarHBondContact O-N 3.19Å; T513-C516 WeakPolarHBondContact O-CB 3.37Å; T513-C516 PolarHBondContact O-N 2.45Å; R514-C516 VanDerWaalsContact C-N 3.25Å; C516-F522 HydrophobicContact CB-CE2 4.38Å; C516-I567 HydrophobicContact CB-CD1 4.38Å
517Y93.3Very high94.2Very high31 Ų3127.7 Ų27.712%0.12214%0.137CC..  trans-107.3127168.8177.2-124.3000109.3L396 G523 H613 I630L396-Y517 PolarHBondContact O-N 2.85Å; Y517-G523 WeakPolarHBondContact CD2-O 3.31Å; Y517-G523 WeakPolarHBondContact CE2-O 3.32Å; Y517-H613 AromaticContact CD1-CE1 3.96Å; Y517-H613 AromaticContact CD1-NE2 3.43Å; Y517-H613 WeakPolarHBondContact CD1-NE2 3.27Å; Y517-H613 AromaticContact CE1-CD2 3.77Å; Y517-H613 AromaticContact CE1-CE1 3.99Å; Y517-H613 AromaticContact CE1-NE2 3.44Å; Y517-H613 WeakPolarHBondContact CE1-NE2 3.44Å; Y517-I630 HydrophobicContact CD1-CD1 4.23Å
518V92.5Very high94Very high9 Ų929.1 Ų29.16%0.05514%0.144CC..BIsolated β-bridgetrans-124.3111.4172.2-173.50000108.2P398 N520 L521 F522 D610P398-V518 HydrophobicContact CG-CG2 3.9Å; V518-N520 PolarHBondContact O-N 3.37Å; V518-L521 HydrophobicContact CB-CB 4.14Å; V518-L521 HydrophobicContact CB-CD2 4.39Å; V518-L521 HydrophobicContact CG1-CB 3.86Å; V518-L521 HydrophobicContact CG1-CD2 3.93Å; V518-L521 PolarHBondContact O-N 2.83Å; V518-F522 HydrophobicContact CB-CD1 4.44Å; V518-F522 HydrophobicContact CB-CE1 4.23Å; V518-F522 HydrophobicContact CB-CZ 4.41Å; V518-F522 HydrophobicContact CG2-CE1 3.85Å; V518-F522 HydrophobicContact CG2-CE2 4.19Å; V518-F522 HydrophobicContact CG2-CZ 3.66Å; V518-F522 PolarHBondContact N-O 3.32Å; V518-F522 PolarHBondContact O-N 3.26Å; V518-F522 VanDerWaalsContact O-O 3.09Å; V518-D610 WeakPolarHBondContact CA-OD2 3.14Å
519R88.1Confident93.9Very high91 Ų9130.5 Ų30.534%0.34315%0.151SC..THydrogen-bonded Turntrans-51.5133.2-177.4-165.6-151.4-172158.2-3.4110.8L521 D610 H613R519-L521 PolarHBondContact O-N 3.18Å; R519-L521 VanDerWaalsContact O-N 3.09Å; R519-D610 WeakPolarHBondContact CB-OD1 3.37Å; R519-D610 VanDerWaalsContact CB-OD2 3.27Å; R519-D610 WeakPolarHBondContact CB-OD2 3.27Å; R519-D610 PolarHBondContact N-OD2 2.93Å; R519-H613 HydrophobicContact CG-CB 4.11Å
520N86.7Confident93.8Very high147 Ų14730.5 Ų30.579%0.78615%0.151SC*.THydrogen-bonded Turntrans58.815.4179.4-52.2-33.9000114.6V518V518-N520 PolarHBondContact O-N 3.37Å
521L90.3Very high93.8Very high57 Ų5730.3 Ų30.330%0.29815%0.15SC..THydrogen-bonded Turntrans-127.1-65178.9-169.569.1000112V518 R519 I560 K563 H564V518-L521 HydrophobicContact CB-CB 4.14Å; V518-L521 HydrophobicContact CB-CD2 4.39Å; V518-L521 HydrophobicContact CG1-CB 3.86Å; V518-L521 HydrophobicContact CG1-CD2 3.93Å; V518-L521 PolarHBondContact O-N 2.83Å; R519-L521 PolarHBondContact O-N 3.18Å; R519-L521 VanDerWaalsContact O-N 3.09Å; L521-I560 HydrophobicContact CD1-CG1 4.5Å; L521-I560 HydrophobicContact CG-CG1 4.48Å; L521-I560 VanDerWaalsContact O-CD1 3.23Å; L521-I560 WeakPolarHBondContact O-CD1 3.24Å; L521-K563 HydrophobicContact CD1-CB 3.95Å; L521-K563 HydrophobicContact CD2-CB 4.03Å; L521-K563 HydrophobicContact CG-CB 4.48Å; L521-H564 HydrophobicContact CD2-CB 4.02Å
522F90.9Very high93.6Very high10 Ų1034.1 Ų34.14%0.04417%0.168CC..BIsolated β-bridgetrans-160.5169.3178.969.7-100000113.5C516 V518 I560 W561 H564 I567C516-F522 HydrophobicContact CB-CE2 4.38Å; V518-F522 HydrophobicContact CB-CD1 4.44Å; V518-F522 HydrophobicContact CB-CE1 4.23Å; V518-F522 HydrophobicContact CB-CZ 4.41Å; V518-F522 HydrophobicContact CG2-CE1 3.85Å; V518-F522 HydrophobicContact CG2-CE2 4.19Å; V518-F522 HydrophobicContact CG2-CZ 3.66Å; V518-F522 PolarHBondContact N-O 3.32Å; V518-F522 PolarHBondContact O-N 3.26Å; V518-F522 VanDerWaalsContact O-O 3.09Å; F522-I560 HydrophobicContact CB-CD1 4.06Å; F522-I560 HydrophobicContact CB-CG1 4.23Å; F522-I560 HydrophobicContact CB-CG2 3.92Å; F522-I560 HydrophobicContact CD1-CG1 4.21Å; F522-I560 HydrophobicContact CD1-CG2 4.18Å; F522-I560 HydrophobicContact CG-CG2 4.12Å; F522-W561 AromaticContact CD2-CD1 3.8Å; F522-W561 AromaticContact CD2-NE1 3.86Å; F522-W561 AromaticContact CE1-CD1 3.94Å; F522-W561 AromaticContact CE2-CD1 3.52Å; F522-W561 HydrophobicContact CE2-CG 4.46Å; F522-W561 AromaticContact CE2-NE1 3.65Å; F522-W561 AromaticContact CZ-CD1 3.6Å; F522-W561 HydrophobicContact CZ-CG 4.24Å; F522-H564 HydrophobicContact CE1-CB 4.46Å; F522-I567 HydrophobicContact CZ-CG1 4.12Å; F522-I567 HydrophobicContact CZ-CG2 4.25Å
523G85Confident93.5Very high17 Ų1739.4 Ų39.418%0.17520%0.197CC..  trans80-175.7166.200000115.2Y517Y517-G523 WeakPolarHBondContact CD2-O 3.31Å; Y517-G523 WeakPolarHBondContact CE2-O 3.32Å
524P91.4Very high93.3Very high28 Ų2842.8 Ų42.818%0.18221%0.214CC..PPolyproline II helixcis-74.9142.6-1335.2-35.4000110.6C395 C632C395-P524 HydrophobicContact CB-CB 3.53Å; C395-P524 HydrophobicContact CB-CG 3.71Å; P524-C632 HydrophobicContact CG-CB 4.33Å; P524-C632 WeakPolarHBondContact CG-SG 3.28Å
525D92.4Very high93.2Very high51 Ų5141.7 Ų41.727%0.27321%0.211SC..PPolyproline II helixtrans-77.6153.7176-66.9-24.3000110.3R514 R515 Y527R514-D525 IonicContact NH2-OD2 3.7Å; R514-D525 PolarHBondContact O-N 2.93Å; R515-D525 WeakPolarHBondContact CD-O 3.26Å; R515-D525 PolarHBondContact NH1-O 3.33Å; D525-Y527 PolarHBondContact O-N 3.3Å
526E92.1Very high93.1Very high79 Ų7944.2 Ų44.237%0.36923%0.23SC..PPolyproline II helixtrans-50.2137.7172-71.3-175.7170.900111.2Q528 R637E526-Q528 PolarHBondContact O-N 3.29Å; E526-R637 IonicContact OE2-NE 3.75Å; E526-R637 IonicContact OE2-NH2 3.45Å
527Y94.8Very high92.8Very high20 Ų2048.8 Ų48.88%0.07827%0.267CS..PPolyproline II helixtrans-60.3130.5174.9176.8-98.4000109.7Y388 L391 Q392 E511 R515 D525Y388-Y527 AromaticContact CD2-CE1 3.93Å; Y388-Y527 HydrophobicContact CD2-CE1 3.93Å; Y388-Y527 AromaticContact CD2-CZ 3.77Å; Y388-Y527 WeakPolarHBondContact CD2-OH 3.37Å; Y388-Y527 AromaticContact CE2-CE1 3.68Å; Y388-Y527 HydrophobicContact CE2-CE1 3.68Å; Y388-Y527 AromaticContact CE2-CZ 3.99Å; Y388-Y527 WeakPolarHBondContact CE2-OH 3.48Å; L391-Y527 HydrophobicContact CB-CD2 3.57Å; L391-Y527 HydrophobicContact CB-CE2 3.74Å; L391-Y527 HydrophobicContact CD1-CD2 4.47Å; L391-Y527 HydrophobicContact CD1-CE2 4.06Å; Q392-Y527 HydrophobicContact CG-CD1 3.39Å; Q392-Y527 HydrophobicContact CG-CE1 3.93Å; Q392-Y527 HydrophobicContact CG-CG 3.82Å; E511-Y527 HydrophobicContact CB-CE2 4.37Å; E511-Y527 PolarHBondContact OE1-OH 2.89Å; R515-Y527 HydrophobicContact CG-CD2 4.25Å; D525-Y527 PolarHBondContact O-N 3.3Å
528Q95.3Very high92.7Very high30 Ų3053.2 Ų53.214%0.1429%0.293CS..  trans-140.2140.8176-69.4-175.64.300109.3W510 E526 Q532W510-Q528 HydrophobicContact CH2-CB 4.41Å; E526-Q528 PolarHBondContact O-N 3.29Å; Q528-Q532 HydrophobicContact CB-CB 4.34Å
529L96.5Very high92.8Very high28 Ų2853 Ų5315%0.14729%0.292CS..  trans-66153.4166.1-77.9167.8000110.2Y388 Y479 Y531 Q532Y388-L529 HydrophobicContact CD2-CD2 3.91Å; Y388-L529 HydrophobicContact CE2-CD1 4.17Å; Y388-L529 HydrophobicContact CE2-CD2 3.69Å; Y388-L529 HydrophobicContact CE2-CG 3.96Å; Y479-L529 VanDerWaalsContact OH-CD2 3.32Å; Y479-L529 WeakPolarHBondContact OH-CD2 3.5Å; L529-Y531 PolarHBondContact O-N 3.36Å; L529-Q532 HydrophobicContact CB-CB 4.24Å; L529-Q532 WeakPolarHBondContact O-CB 3.37Å; L529-Q532 PolarHBondContact O-N 3.25Å; L529-Q532 VanDerWaalsContact O-N 3.1Å
530P97.8Very high93.1Very high0 Ų050.9 Ų50.90%029%0.291CS..THydrogen-bonded Turntrans-55.1133.6174.1-24.533.5000111.3R478 Y479 L507 E511 Q532 P555R478-P530 WeakPolarHBondContact CD-O 3.46Å; R478-P530 HydrophobicContact CG-CB 4.4Å; R478-P530 VanDerWaalsContact CG-O 3.25Å; R478-P530 WeakPolarHBondContact CG-O 3.39Å; R478-P530 PolarHBondContact NH1-O 3.41Å; Y479-P530 HydrophobicContact CE1-CG 3.86Å; L507-P530 HydrophobicContact CB-CB 4.27Å; L507-P530 HydrophobicContact CB-CG 3.9Å; L507-P530 HydrophobicContact CD1-CB 4.45Å; L507-P530 HydrophobicContact CD2-CB 4.12Å; E511-P530 HydrophobicContact CG-CG 3.96Å; P530-Q532 PolarHBondContact O-N 3.03Å; P530-P555 HydrophobicContact CB-CG 4.42Å
531Y97.6Very high93.3Very high0 Ų044.7 Ų44.70%026%0.259CS..THydrogen-bonded Turntrans63.813.8-179-46.5-79000115.4R478 Y503 L507 L529 D533 L534 V535 M544 I547 V548 P555R478-Y531 HydrophobicContact CG-CD2 4.5Å; Y503-Y531 PolarHBondContact OH-OH 3.18Å; L507-Y531 HydrophobicContact CD1-CE2 4.18Å; L507-Y531 HydrophobicContact CD2-CE2 3.79Å; L529-Y531 PolarHBondContact O-N 3.36Å; Y531-D533 PolarHBondContact O-N 3.38Å; Y531-D533 VanDerWaalsContact O-N 3.14Å; Y531-L534 HydrophobicContact CD1-CD1 4.18Å; Y531-L534 PolarHBondContact O-N 3.19Å; Y531-V535 WeakPolarHBondContact O-CG2 3.42Å; Y531-V535 PolarHBondContact O-N 3.03Å; Y531-M544 HydrophobicContact CD2-CE 3.76Å; Y531-M544 HydrophobicContact CE2-CE 4.08Å; Y531-M544 HydrophobicContact CG-CE 4.32Å; Y531-I547 HydrophobicContact CD1-CG2 4.09Å; Y531-I547 HydrophobicContact CE1-CG2 4.46Å; Y531-V548 HydrophobicContact CE1-CG2 4.21Å; Y531-V548 HydrophobicContact CE2-CG2 4.26Å; Y531-P555 HydrophobicContact CD1-CG 4.44Å; Y531-P555 HydrophobicContact CE1-CG 4.01Å; Y531-P555 HydrophobicContact CE2-CG 4.24Å; Y531-P555 WeakPolarHBondContact OH-CD 3.2Å
532Q95.6Very high93.4Very high80 Ų8048 Ų4837%0.37427%0.272SS..THydrogen-bonded Turntrans-58.9-27-177.5-179.8174.1-37.200113.9Q528 L529 P530Q528-Q532 HydrophobicContact CB-CB 4.34Å; L529-Q532 HydrophobicContact CB-CB 4.24Å; L529-Q532 WeakPolarHBondContact O-CB 3.37Å; L529-Q532 PolarHBondContact O-N 3.25Å; L529-Q532 VanDerWaalsContact O-N 3.1Å; P530-Q532 PolarHBondContact O-N 3.03Å
533D94.5Very high93.6Very high111 Ų11150.3 Ų50.359%0.59428%0.283SS*.THydrogen-bonded Turntrans-80.7-14.5176.159.3-45000113.8Y531Y531-D533 PolarHBondContact O-N 3.38Å; Y531-D533 VanDerWaalsContact O-N 3.14Å
534L95Very high94.1Very high70 Ų7049.5 Ų49.537%0.36628%0.275SS..THydrogen-bonded Turntrans-112.2-22.5-173.4-61.5177.5000113.8Y531 I547 L553Y531-L534 HydrophobicContact CD1-CD1 4.18Å; Y531-L534 PolarHBondContact O-N 3.19Å; L534-I547 HydrophobicContact CB-CD1 4.4Å; L534-I547 HydrophobicContact CB-CG2 4.37Å; L534-I547 HydrophobicContact CD1-CG2 4.01Å; L534-L553 HydrophobicContact CD1-CB 4.43Å; L534-L553 HydrophobicContact CD1-CD1 4.13Å
535V95.2Very high94.2Very high13 Ų1351.7 Ų51.78%0.07928%0.282CS..SBendtrans-135.3162.3-177.1-55.10000112Y531 P539 E543 M544 I547Y531-V535 WeakPolarHBondContact O-CG2 3.42Å; Y531-V535 PolarHBondContact O-N 3.03Å; V535-P539 HydrophobicContact CB-CB 3.98Å; V535-P539 HydrophobicContact CG2-CB 3.83Å; V535-P539 HydrophobicContact CG2-CG 3.96Å; V535-E543 VanDerWaalsContact CA-OE1 3.22Å; V535-E543 WeakPolarHBondContact CA-OE1 3.13Å; V535-E543 HydrophobicContact CB-CG 3.92Å; V535-E543 WeakPolarHBondContact CB-OE1 3.5Å; V535-E543 HydrophobicContact CG1-CG 3.76Å; V535-M544 HydrophobicContact CG1-SD 4.17Å; V535-M544 HydrophobicContact CG2-SD 3.97Å; V535-I547 HydrophobicContact CG1-CB 4.46Å; V535-I547 HydrophobicContact CG1-CG1 3.75Å
536S93.5Very high94.3Very high57 Ų5751 Ų5140%0.39928%0.281SS..  trans-58.6167.8174.571.30000113.2R478 D538 P539 E543R478-S536 PolarHBondContact NH2-O 2.88Å; S536-D538 PolarHBondContact O-N 3.14Å; S536-D538 PolarHBondContact OG-O 3.34Å; S536-P539 WeakPolarHBondContact OG-CA 3.18Å; S536-E543 PolarHBondContact N-OE1 3.45Å; S536-E543 PolarHBondContact OG-OE2 3.43Å
537A90.8Very high94.5Very high96 Ų9648 Ų4879%0.79327%0.267SS*.SBendtrans-62.9-41.4-177.100000113.1R478R478-A537 PolarHBondContact NH2-O 3.02Å
538D91Very high94.6Very high124 Ų12447.2 Ų47.266%0.66326%0.264SS*.SBendtrans-117.984.7169.8178.322.5000109.4K477 S536K477-D538 IonicContact NZ-OD1 3.99Å; K477-D538 PolarHBondContact NZ-OD1 3.28Å; K477-D538 IonicContact NZ-OD2 3.37Å; S536-D538 PolarHBondContact O-N 3.14Å; S536-D538 PolarHBondContact OG-O 3.34Å
539P94.4Very high94.4Very high4 Ų447.6 Ų47.63%0.02627%0.27CS..  trans-68.9151.9-171.629.5-35.6000111.7K477 R478 V535 S536 E543 M544K477-P539 WeakPolarHBondContact CD-O 3.44Å; K477-P539 PolarHBondContact NZ-O 3.5Å; R478-P539 HydrophobicContact CB-CG 4.43Å; V535-P539 HydrophobicContact CB-CB 3.98Å; V535-P539 HydrophobicContact CG2-CB 3.83Å; V535-P539 HydrophobicContact CG2-CG 3.96Å; S536-P539 WeakPolarHBondContact OG-CA 3.18Å; P539-E543 WeakPolarHBondContact CA-OE2 3.26Å; P539-E543 HydrophobicContact CB-CB 4.37Å; P539-E543 HydrophobicContact CB-CG 4.37Å; P539-E543 VanDerWaalsContact CB-OE2 3.27Å; P539-E543 WeakPolarHBondContact CB-OE2 2.96Å; P539-M544 HydrophobicContact CB-CG 3.93Å; P539-M544 HydrophobicContact CB-SD 3.99Å; P539-M544 HydrophobicContact CG-CG 3.84Å; P539-M544 HydrophobicContact CG-SD 3.72Å
540S93.7Very high94.2Very high46 Ų4652.5 Ų52.532%0.32229%0.292SS..  trans-7516816880.20000110.7E542 E543 M544S540-E542 WeakPolarHBondContact CB-OE2 2.99Å; S540-E542 PolarHBondContact O-N 3.43Å; S540-E542 PolarHBondContact OG-N 2.83Å; S540-E542 PolarHBondContact OG-OE2 3.02Å; S540-E543 PolarHBondContact N-OE2 3.24Å; S540-E543 PolarHBondContact O-N 3.28Å; S540-E543 PolarHBondContact OG-N 3.33Å; S540-M544 PolarHBondContact O-N 3.31Å; S540-M544 VanDerWaalsContact O-N 3.17Å
541V91.9Very high94.1Very high18 Ų1857.8 Ų57.811%0.10932%0.317CS..Hα-helixtrans-67.3-35.1174.5179.60000110.3R473 K477 L485 M544 K545R473-V541 VanDerWaalsContact CZ-CG1 3.47Å; K477-V541 HydrophobicContact CD-CG2 4.14Å; K477-V541 HydrophobicContact CG-CG2 3.98Å; L485-V541 HydrophobicContact CD2-CG1 3.97Å; V541-M544 PolarHBondContact O-N 3.06Å; V541-K545 WeakPolarHBondContact O-CB 3.15Å; V541-K545 PolarHBondContact O-N 3.3Å
542E92.5Very high93.9Very high126 Ų12659.8 Ų59.859%0.58934%0.338SS*.Hα-helixtrans-65.6-41.3179.1-61.765.9-142.100110.9S540 K545 S546S540-E542 WeakPolarHBondContact CB-OE2 2.99Å; S540-E542 PolarHBondContact O-N 3.43Å; S540-E542 PolarHBondContact OG-N 2.83Å; S540-E542 PolarHBondContact OG-OE2 3.02Å; E542-K545 PolarHBondContact O-N 2.78Å; E542-S546 PolarHBondContact O-N 2.77Å
543E94.3Very high93.9Very high59 Ų5959 Ų5928%0.27634%0.336SS..Hα-helixtrans-61.7-48.8174.9-171.6177.5-166.700110.9V535 S536 P539 S540 K545 S546 I547V535-E543 VanDerWaalsContact CA-OE1 3.22Å; V535-E543 WeakPolarHBondContact CA-OE1 3.13Å; V535-E543 HydrophobicContact CB-CG 3.92Å; V535-E543 WeakPolarHBondContact CB-OE1 3.5Å; V535-E543 HydrophobicContact CG1-CG 3.76Å; S536-E543 PolarHBondContact N-OE1 3.45Å; S536-E543 PolarHBondContact OG-OE2 3.43Å; P539-E543 WeakPolarHBondContact CA-OE2 3.26Å; P539-E543 HydrophobicContact CB-CB 4.37Å; P539-E543 HydrophobicContact CB-CG 4.37Å; P539-E543 VanDerWaalsContact CB-OE2 3.27Å; P539-E543 WeakPolarHBondContact CB-OE2 2.96Å; S540-E543 PolarHBondContact N-OE2 3.24Å; S540-E543 PolarHBondContact O-N 3.28Å; S540-E543 PolarHBondContact OG-N 3.33Å; E543-K545 PolarHBondContact O-N 3.02Å; E543-S546 PolarHBondContact O-N 2.97Å; E543-I547 PolarHBondContact O-N 3.4Å
544M96.5Very high94.1Very high0 Ų056.3 Ų56.30%032%0.317CS..Hα-helixtrans-63.6-42.3176.5-72-57-53.500112.4K477 L485 Y531 V535 P539 S540 V541 S546 I547 V548K477-M544 HydrophobicContact CB-CG 4.33Å; L485-M544 HydrophobicContact CD1-CB 4.05Å; L485-M544 HydrophobicContact CD2-CB 3.66Å; Y531-M544 HydrophobicContact CD2-CE 3.76Å; Y531-M544 HydrophobicContact CE2-CE 4.08Å; Y531-M544 HydrophobicContact CG-CE 4.32Å; V535-M544 HydrophobicContact CG1-SD 4.17Å; V535-M544 HydrophobicContact CG2-SD 3.97Å; P539-M544 HydrophobicContact CB-CG 3.93Å; P539-M544 HydrophobicContact CB-SD 3.99Å; P539-M544 HydrophobicContact CG-CG 3.84Å; P539-M544 HydrophobicContact CG-SD 3.72Å; S540-M544 PolarHBondContact O-N 3.31Å; S540-M544 VanDerWaalsContact O-N 3.17Å; V541-M544 PolarHBondContact O-N 3.06Å; M544-S546 VanDerWaalsContact C-N 3.31Å; M544-S546 PolarHBondContact O-N 3.42Å; M544-I547 PolarHBondContact O-N 3.05Å; M544-V548 HydrophobicContact CE-CG2 3.75Å; M544-V548 VanDerWaalsContact O-CB 3.25Å; M544-V548 WeakPolarHBondContact O-CB 3.43Å; M544-V548 WeakPolarHBondContact O-CG2 3.43Å; M544-V548 PolarHBondContact O-N 3.17Å
545K93.1Very high94.1Very high74 Ų7453.2 Ų53.232%0.32230%0.301SS..Hα-helixtrans-61.1-40.9177.9-179179.1175.9177.70111.1V541 E542 E543 C549 E550V541-K545 WeakPolarHBondContact O-CB 3.15Å; V541-K545 PolarHBondContact O-N 3.3Å; E542-K545 PolarHBondContact O-N 2.78Å; E543-K545 PolarHBondContact O-N 3.02Å; K545-C549 HydrophobicContact CG-CB 4.07Å; K545-C549 WeakPolarHBondContact O-CA 3.41Å; K545-C549 VanDerWaalsContact O-CB 3.24Å; K545-C549 WeakPolarHBondContact O-CB 3.36Å; K545-C549 PolarHBondContact O-N 2.96Å; K545-E550 PolarHBondContact O-N 2.99Å; K545-E550 VanDerWaalsContact O-N 3.08Å
546S94.8Very high94Very high36 Ų3654.9 Ų54.925%0.25232%0.322SS..Iπ-helixtrans-63.5-44178.6-1660000112.3E542 E543 M544 E550 Q551E542-S546 PolarHBondContact O-N 2.77Å; E543-S546 PolarHBondContact O-N 2.97Å; M544-S546 VanDerWaalsContact C-N 3.31Å; M544-S546 PolarHBondContact O-N 3.42Å; S546-E550 VanDerWaalsContact CA-OE2 3.25Å; S546-E550 WeakPolarHBondContact CA-OE2 3.39Å; S546-E550 WeakPolarHBondContact CB-OE2 3.33Å; S546-E550 WeakPolarHBondContact O-CB 3.47Å; S546-E550 PolarHBondContact OG-OE2 3.25Å; S546-Q551 WeakPolarHBondContact O-CB 3.43Å; S546-Q551 WeakPolarHBondContact O-CG 3.48Å; S546-Q551 PolarHBondContact O-N 2.82Å
547I96.5Very high94.1Very high17 Ų1754.6 Ų54.69%0.08732%0.315CS..Iπ-helixtrans-72.8-48179.7-63-64.3000111.6Y531 L534 V535 E543 M544 G552 L553Y531-I547 HydrophobicContact CD1-CG2 4.09Å; Y531-I547 HydrophobicContact CE1-CG2 4.46Å; L534-I547 HydrophobicContact CB-CD1 4.4Å; L534-I547 HydrophobicContact CB-CG2 4.37Å; L534-I547 HydrophobicContact CD1-CG2 4.01Å; V535-I547 HydrophobicContact CG1-CB 4.46Å; V535-I547 HydrophobicContact CG1-CG1 3.75Å; E543-I547 PolarHBondContact O-N 3.4Å; M544-I547 PolarHBondContact O-N 3.05Å; I547-G552 PolarHBondContact O-N 2.89Å; I547-L553 HydrophobicContact CD1-CD1 4.21Å; I547-L553 HydrophobicContact CG2-CB 3.85Å; I547-L553 HydrophobicContact CG2-CD1 4.08Å; I547-L553 HydrophobicContact CG2-CG 4.49Å; I547-L553 WeakPolarHBondContact O-CB 3.29Å; I547-L553 PolarHBondContact O-N 3.09Å
548V95.3Very high94.3Very high2 Ų252 Ų521%0.01229%0.29CS..Iπ-helixtrans-83.9-42.3-169.5172.10000113P482 L485 Y503 Y531 M544 G552 R554P482-V548 HydrophobicContact CB-CG1 4.2Å; P482-V548 HydrophobicContact CG-CG1 3.74Å; L485-V548 HydrophobicContact CD1-CB 3.78Å; L485-V548 HydrophobicContact CD1-CG1 3.83Å; L485-V548 HydrophobicContact CD1-CG2 4.12Å; Y503-V548 VanDerWaalsContact OH-CG1 3.23Å; Y503-V548 WeakPolarHBondContact OH-CG1 3.49Å; Y531-V548 HydrophobicContact CE1-CG2 4.21Å; Y531-V548 HydrophobicContact CE2-CG2 4.26Å; M544-V548 HydrophobicContact CE-CG2 3.75Å; M544-V548 VanDerWaalsContact O-CB 3.25Å; M544-V548 WeakPolarHBondContact O-CB 3.43Å; M544-V548 WeakPolarHBondContact O-CG2 3.43Å; M544-V548 PolarHBondContact O-N 3.17Å; V548-G552 WeakPolarHBondContact O-CA 3.12Å; V548-R554 PolarHBondContact O-NH1 3.36Å
549C92Very high94.5Very high39 Ų3950.1 Ų50.126%0.26429%0.292SS..Iπ-helixtrans-96-49.4-173.8-51.70000111.5P482 K545P482-C549 PolarHBondContact O-SG 2.68Å; K545-C549 HydrophobicContact CG-CB 4.07Å; K545-C549 WeakPolarHBondContact O-CA 3.41Å; K545-C549 VanDerWaalsContact O-CB 3.24Å; K545-C549 WeakPolarHBondContact O-CB 3.36Å; K545-C549 PolarHBondContact O-N 2.96Å
550E92.3Very high94.6Very high130 Ų13053.4 Ų53.461%0.60731%0.308SS*.Iπ-helixtrans-78.9-46.4-173.7-56.7170.3172.600112K545 S546K545-E550 PolarHBondContact O-N 2.99Å; K545-E550 VanDerWaalsContact O-N 3.08Å; S546-E550 VanDerWaalsContact CA-OE2 3.25Å; S546-E550 WeakPolarHBondContact CA-OE2 3.39Å; S546-E550 WeakPolarHBondContact CB-OE2 3.33Å; S546-E550 WeakPolarHBondContact O-CB 3.47Å; S546-E550 PolarHBondContact OG-OE2 3.25Å
551Q94.8Very high94.7Very high111 Ų11151.3 Ų51.352%0.51929%0.293SS..SBendtrans-89.3-13178.4-63.117554.200113S546 L553S546-Q551 WeakPolarHBondContact O-CB 3.43Å; S546-Q551 WeakPolarHBondContact O-CG 3.48Å; S546-Q551 PolarHBondContact O-N 2.82Å; Q551-L553 HydrophobicContact CB-CD1 4.09Å; Q551-L553 HydrophobicContact CB-CG 3.83Å; Q551-L553 PolarHBondContact O-N 2.91Å
552G94Very high94.9Very high43 Ų4352.4 Ų52.444%0.44330%0.302SS..  trans65.619.8179.100000114.3I547 V548I547-G552 PolarHBondContact O-N 2.89Å; V548-G552 WeakPolarHBondContact O-CA 3.12Å
553L96.7Very high95Very high62 Ų6253.5 Ų53.533%0.32531%0.305SS..  trans-73.1148.7-175.6-61.8177.5000111.3L534 I547 Q551L534-L553 HydrophobicContact CD1-CB 4.43Å; L534-L553 HydrophobicContact CD1-CD1 4.13Å; I547-L553 HydrophobicContact CD1-CD1 4.21Å; I547-L553 HydrophobicContact CG2-CB 3.85Å; I547-L553 HydrophobicContact CG2-CD1 4.08Å; I547-L553 HydrophobicContact CG2-CG 4.49Å; I547-L553 WeakPolarHBondContact O-CB 3.29Å; I547-L553 PolarHBondContact O-N 3.09Å; Q551-L553 HydrophobicContact CB-CD1 4.09Å; Q551-L553 HydrophobicContact CB-CG 3.83Å; Q551-L553 PolarHBondContact O-N 2.91Å
554R97.1Very high95.1Very high55 Ų5551.5 Ų51.521%0.20830%0.295CS..  trans-132.2160.6174.4-61.2-61.7-179.7-95.21.1108.6V548 G556 W578V548-R554 PolarHBondContact O-NH1 3.36Å; R554-G556 PolarHBondContact O-N 3.42Å; R554-W578 HydrophobicContact CB-CE3 4.04Å; R554-W578 HydrophobicContact CB-CZ3 4.47Å; R554-W578 HydrophobicContact CG-CB 4.22Å; R554-W578 HydrophobicContact CG-CE3 4.42Å; R554-W578 PolarHBondContact NE-O 3.02Å; R554-W578 PolarHBondContact NH2-O 3.47Å
555P96.3Very high95Very high5 Ų556 Ų563%0.03232%0.316CS..  trans-58.7135177-2235.5000110.5L507 W510 P530 Y531 L557 W578L507-P555 HydrophobicContact CD2-CG 3.63Å; W510-P555 HydrophobicContact CD2-CB 3.65Å; W510-P555 HydrophobicContact CD2-CG 4.43Å; W510-P555 HydrophobicContact CE3-CB 4.3Å; W510-P555 HydrophobicContact CG-CB 3.9Å; W510-P555 HydrophobicContact CH2-CB 4.29Å; W510-P555 HydrophobicContact CZ2-CB 3.65Å; P530-P555 HydrophobicContact CB-CG 4.42Å; Y531-P555 HydrophobicContact CD1-CG 4.44Å; Y531-P555 HydrophobicContact CE1-CG 4.01Å; Y531-P555 HydrophobicContact CE2-CG 4.24Å; Y531-P555 WeakPolarHBondContact OH-CD 3.2Å; P555-L557 PolarHBondContact O-N 2.82Å; P555-W578 HydrophobicContact CB-CH2 4.27Å; P555-W578 HydrophobicContact CG-CH2 4.22Å; P555-W578 HydrophobicContact CG-CZ2 4.23Å
556G93.6Very high95.1Very high49 Ų4952.4 Ų52.451%0.50530%0.301SS..  trans-62.2135.1-176.500000112.2W510 R554 P558W510-G556 PolarHBondContact NE1-O 3.38Å; R554-G556 PolarHBondContact O-N 3.42Å; G556-P558 WeakPolarHBondContact O-CD 3.46Å
557L95.5Very high95.2Very high51 Ų5150.7 Ų50.727%0.26729%0.289SS..  trans-103.5105.6174.8-65.3-178.9000109.2P555 A559 W561 Q571 M574 W578P555-L557 PolarHBondContact O-N 2.82Å; L557-A559 PolarHBondContact O-N 2.97Å; L557-W561 HydrophobicContact CD2-CE3 4.18Å; L557-W561 HydrophobicContact CD2-CZ3 3.75Å; L557-Q571 HydrophobicContact CD1-CB 4.23Å; L557-Q571 HydrophobicContact CD1-CG 4.37Å; L557-Q571 HydrophobicContact CD2-CG 4.5Å; L557-M574 HydrophobicContact CD2-CE 3.81Å; L557-M574 HydrophobicContact CD2-SD 4.27Å; L557-W578 HydrophobicContact CD1-CZ3 4.27Å; L557-W578 HydrophobicContact CD2-CH2 4.18Å; L557-W578 HydrophobicContact CD2-CZ3 4.09Å; L557-W578 HydrophobicContact CG-CZ3 4.22Å
558P94.9Very high95.3Very high41 Ų4155.5 Ų55.527%0.26631%0.306SS..  trans-55.2133180-27.935.2000112.6G556 I560 W561 Q571G556-P558 WeakPolarHBondContact O-CD 3.46Å; P558-I560 HydrophobicContact CB-CG2 4.1Å; P558-I560 PolarHBondContact O-N 3.06Å; P558-I560 VanDerWaalsContact O-N 3.14Å; P558-W561 HydrophobicContact CB-CD2 4.3Å; P558-W561 HydrophobicContact CB-CG 4.13Å; P558-W561 HydrophobicContact CG-CD2 4.09Å; P558-W561 HydrophobicContact CG-CG 4.42Å; P558-W561 HydrophobicContact CG-CZ2 3.85Å; P558-W561 VanDerWaalsContact O-CB 3.32Å; P558-W561 WeakPolarHBondContact O-CB 3.37Å; P558-W561 PolarHBondContact O-N 2.95Å; P558-W561 VanDerWaalsContact O-N 3.07Å; P558-Q571 PolarHBondContact O-NE2 3Å
559A95.5Very high95.4Very high84 Ų8456.4 Ų56.469%0.69431%0.313SS*.G310 helixtrans-59.5-30.1-179.400000112.7L557 W561 S562L557-A559 PolarHBondContact O-N 2.97Å; A559-W561 VanDerWaalsContact C-N 3.26Å; A559-W561 PolarHBondContact O-N 3.43Å; A559-S562 WeakPolarHBondContact O-CB 3.46Å; A559-S562 PolarHBondContact O-N 3.21Å; A559-S562 PolarHBondContact O-OG 3.39Å
560I95.9Very high95.7Very high74 Ų7454.5 Ų54.538%0.37930%0.301SS..G310 helixtrans-65.5-26.6179.1-163.3160.4000113.2L521 F522 P558 S562 K563L521-I560 HydrophobicContact CD1-CG1 4.5Å; L521-I560 HydrophobicContact CG-CG1 4.48Å; L521-I560 VanDerWaalsContact O-CD1 3.23Å; L521-I560 WeakPolarHBondContact O-CD1 3.24Å; F522-I560 HydrophobicContact CB-CD1 4.06Å; F522-I560 HydrophobicContact CB-CG1 4.23Å; F522-I560 HydrophobicContact CB-CG2 3.92Å; F522-I560 HydrophobicContact CD1-CG1 4.21Å; F522-I560 HydrophobicContact CD1-CG2 4.18Å; F522-I560 HydrophobicContact CG-CG2 4.12Å; P558-I560 HydrophobicContact CB-CG2 4.1Å; P558-I560 PolarHBondContact O-N 3.06Å; P558-I560 VanDerWaalsContact O-N 3.14Å; I560-S562 PolarHBondContact O-N 3Å; I560-K563 VanDerWaalsContact O-CB 3.25Å; I560-K563 WeakPolarHBondContact O-CB 3.25Å; I560-K563 WeakPolarHBondContact O-CG 3.35Å; I560-K563 PolarHBondContact O-N 2.82Å
561W95.5Very high95.9Very high1 Ų149.2 Ų49.20%0.00428%0.276CS..G310 helixtrans-60.8-32.1176.7-73.36.4000112.2T513 R514 F522 L557 P558 A559 K563 H564 I567 Q571 M574T513-W561 HydrophobicContact CG2-CD2 3.98Å; T513-W561 HydrophobicContact CG2-CE3 3.62Å; T513-W561 HydrophobicContact CG2-CH2 3.85Å; T513-W561 HydrophobicContact CG2-CZ2 4.18Å; T513-W561 HydrophobicContact CG2-CZ3 3.54Å; R514-W561 HydrophobicContact CB-CZ2 4.41Å; R514-W561 HydrophobicContact CG-CH2 3.75Å; R514-W561 HydrophobicContact CG-CZ2 3.86Å; F522-W561 AromaticContact CD2-CD1 3.8Å; F522-W561 AromaticContact CD2-NE1 3.86Å; F522-W561 AromaticContact CE1-CD1 3.94Å; F522-W561 AromaticContact CE2-CD1 3.52Å; F522-W561 HydrophobicContact CE2-CG 4.46Å; F522-W561 AromaticContact CE2-NE1 3.65Å; F522-W561 AromaticContact CZ-CD1 3.6Å; F522-W561 HydrophobicContact CZ-CG 4.24Å; L557-W561 HydrophobicContact CD2-CE3 4.18Å; L557-W561 HydrophobicContact CD2-CZ3 3.75Å; P558-W561 HydrophobicContact CB-CD2 4.3Å; P558-W561 HydrophobicContact CB-CG 4.13Å; P558-W561 HydrophobicContact CG-CD2 4.09Å; P558-W561 HydrophobicContact CG-CG 4.42Å; P558-W561 HydrophobicContact CG-CZ2 3.85Å; P558-W561 VanDerWaalsContact O-CB 3.32Å; P558-W561 WeakPolarHBondContact O-CB 3.37Å; P558-W561 PolarHBondContact O-N 2.95Å; P558-W561 VanDerWaalsContact O-N 3.07Å; A559-W561 VanDerWaalsContact C-N 3.26Å; A559-W561 PolarHBondContact O-N 3.43Å; W561-K563 PolarHBondContact O-N 3.3Å; W561-K563 VanDerWaalsContact O-N 3.07Å; W561-H564 PolarHBondContact O-N 3.24Å; W561-I567 HydrophobicContact CB-CG2 3.64Å; W561-I567 HydrophobicContact CD2-CG2 4.17Å; W561-I567 HydrophobicContact CE3-CG2 4.33Å; W561-I567 HydrophobicContact CG-CG2 3.9Å; W561-Q571 HydrophobicContact CB-CG 4.33Å; W561-Q571 HydrophobicContact CE3-CG 4.08Å; W561-M574 HydrophobicContact CE3-CE 4.48Å; W561-M574 HydrophobicContact CZ3-CE 4.08Å
562S95.5Very high96.1Very high42 Ų4248.1 Ų48.129%0.29427%0.274SS..G310 helixtrans-64.5-14177.2730000113.2A559 I560 H564 R568 Q571A559-S562 WeakPolarHBondContact O-CB 3.46Å; A559-S562 PolarHBondContact O-N 3.21Å; A559-S562 PolarHBondContact O-OG 3.39Å; I560-S562 PolarHBondContact O-N 3Å; S562-H564 VanDerWaalsContact C-N 3.32Å; S562-R568 PolarHBondContact O-NE 2.74Å; S562-R568 PolarHBondContact O-NH2 2.86Å; S562-Q571 VanDerWaalsContact CA-OE1 3.3Å; S562-Q571 VanDerWaalsContact N-OE1 3.12Å
563K96.1Very high96.3Very high149 Ų14946.4 Ų46.465%0.64825%0.254SS*.G310 helixtrans-76.3-17178.1-61.6-65.2-174.8179.70113.3L521 I560 W561L521-K563 HydrophobicContact CD1-CB 3.95Å; L521-K563 HydrophobicContact CD2-CB 4.03Å; L521-K563 HydrophobicContact CG-CB 4.48Å; I560-K563 VanDerWaalsContact O-CB 3.25Å; I560-K563 WeakPolarHBondContact O-CB 3.25Å; I560-K563 WeakPolarHBondContact O-CG 3.35Å; I560-K563 PolarHBondContact O-N 2.82Å; W561-K563 PolarHBondContact O-N 3.3Å; W561-K563 VanDerWaalsContact O-N 3.07Å
564H95.3Very high96.3Very high16 Ų1643.4 Ų43.47%0.07424%0.239CC..SBendtrans-107.5129.3174.4-168.4-83000110.7L521 F522 W561 S562 I566 I567 R568 L608L521-H564 HydrophobicContact CD2-CB 4.02Å; F522-H564 HydrophobicContact CE1-CB 4.46Å; W561-H564 PolarHBondContact O-N 3.24Å; S562-H564 VanDerWaalsContact C-N 3.32Å; H564-I566 PolarHBondContact ND1-N 2.93Å; H564-I566 PolarHBondContact O-N 2.89Å; H564-I567 HydrophobicContact CB-CB 4.2Å; H564-I567 HydrophobicContact CB-CG1 3.91Å; H564-I567 PolarHBondContact O-N 3.25Å; H564-I567 VanDerWaalsContact O-N 3.17Å; H564-R568 WeakPolarHBondContact O-CB 3.38Å; H564-R568 PolarHBondContact O-N 2.94Å; H564-L608 PolarHBondContact CE1-O 2.89Å; H564-L608 PolarHBondContact NE2-O 3.38Å
565E95Very high96.4Very high94 Ų9443.4 Ų43.444%0.43925%0.247SC..Hα-helixtrans-61.5-46.9-169.8-63-174.6156.200113.4I567 R568 A569 L608E565-I567 VanDerWaalsContact C-N 3.26Å; E565-I567 PolarHBondContact O-N 3Å; E565-R568 PolarHBondContact O-N 3.17Å; E565-A569 PolarHBondContact O-N 2.95Å; E565-L608 HydrophobicContact CB-CD1 4.42Å; E565-L608 HydrophobicContact CB-CD2 4.19Å; E565-L608 HydrophobicContact CG-CD2 4.25Å; E565-L608 WeakPolarHBondContact OE2-CD1 3.49Å
566I95.3Very high96.4Very high0 Ų046.4 Ų46.40%026%0.261CS..Hα-helixtrans-59.9-40.5177.6-62.9179.9000111.1P398 L401 H564 A569 L570 V598 L602 L608P398-I566 HydrophobicContact CB-CD1 4.08Å; L401-I566 HydrophobicContact CD2-CG2 4.18Å; H564-I566 PolarHBondContact ND1-N 2.93Å; H564-I566 PolarHBondContact O-N 2.89Å; I566-A569 PolarHBondContact O-N 3.19Å; I566-L570 WeakPolarHBondContact O-CG 3.47Å; I566-L570 PolarHBondContact O-N 2.97Å; I566-L570 VanDerWaalsContact O-N 3.16Å; I566-V598 HydrophobicContact CB-CG1 4.21Å; I566-V598 HydrophobicContact CG1-CG1 4.02Å; I566-V598 HydrophobicContact CG2-CG1 3.95Å; I566-L602 HydrophobicContact CD1-CB 4.02Å; I566-L602 HydrophobicContact CD1-CD1 3.71Å; I566-L602 HydrophobicContact CD1-CD2 4.1Å; I566-L602 HydrophobicContact CD1-CG 4.15Å; I566-L608 HydrophobicContact CD1-CB 4.07Å; I566-L608 HydrophobicContact CG1-CB 4.46Å
567I96.7Very high96.6Very high0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-77-37.6-174.4-50.3-60.4000109.8L401 T513 C516 F522 W561 H564 E565 A569 L570 Q571L401-I567 HydrophobicContact CD1-CD1 4.15Å; L401-I567 HydrophobicContact CD2-CD1 3.71Å; T513-I567 HydrophobicContact CG2-CG2 3.6Å; C516-I567 HydrophobicContact CB-CD1 4.38Å; F522-I567 HydrophobicContact CZ-CG1 4.12Å; F522-I567 HydrophobicContact CZ-CG2 4.25Å; W561-I567 HydrophobicContact CB-CG2 3.64Å; W561-I567 HydrophobicContact CD2-CG2 4.17Å; W561-I567 HydrophobicContact CE3-CG2 4.33Å; W561-I567 HydrophobicContact CG-CG2 3.9Å; H564-I567 HydrophobicContact CB-CB 4.2Å; H564-I567 HydrophobicContact CB-CG1 3.91Å; H564-I567 PolarHBondContact O-N 3.25Å; H564-I567 VanDerWaalsContact O-N 3.17Å; E565-I567 VanDerWaalsContact C-N 3.26Å; E565-I567 PolarHBondContact O-N 3Å; I567-A569 VanDerWaalsContact C-N 3.33Å; I567-A569 PolarHBondContact O-N 2.9Å; I567-L570 CarbonylContact O-C 3.52Å; I567-L570 WeakPolarHBondContact O-CB 3.15Å; I567-L570 PolarHBondContact O-N 3.47Å; I567-L570 VanDerWaalsContact O-N 3.13Å; I567-Q571 WeakPolarHBondContact O-CG 3.46Å; I567-Q571 PolarHBondContact O-N 2.84Å
568R97.5Very high96.7Very high117 Ų11742.2 Ų42.244%0.44223%0.226SC..Hα-helixtrans-55.7-47.8169.7-171.3-170.1-59.2167.24.7111.2S562 H564 E565 L570 Q571 D572S562-R568 PolarHBondContact O-NE 2.74Å; S562-R568 PolarHBondContact O-NH2 2.86Å; H564-R568 WeakPolarHBondContact O-CB 3.38Å; H564-R568 PolarHBondContact O-N 2.94Å; E565-R568 PolarHBondContact O-N 3.17Å; R568-L570 PolarHBondContact O-N 3.05Å; R568-Q571 WeakPolarHBondContact O-CA 3.34Å; R568-Q571 WeakPolarHBondContact O-CB 3.49Å; R568-Q571 PolarHBondContact O-N 3.29Å; R568-D572 PolarHBondContact O-N 3.19Å
569A97.6Very high96.7Very high21 Ų2146 Ų4617%0.17424%0.236CC..Hα-helixtrans-60.8-34.4177.500000112.6E565 I566 I567 I573 V598E565-A569 PolarHBondContact O-N 2.95Å; I566-A569 PolarHBondContact O-N 3.19Å; I567-A569 VanDerWaalsContact C-N 3.33Å; I567-A569 PolarHBondContact O-N 2.9Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.31Å; A569-I573 VanDerWaalsContact O-N 3.13Å; A569-V598 HydrophobicContact CB-CG1 4.49Å; A569-V598 HydrophobicContact CB-CG2 3.57Å
570L98.1Very high96.3Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-72.3-34.2172.9-68.8173.7000113L401 V405 F509 I566 I567 R568 D572 I573 M574 L595L401-L570 HydrophobicContact CD1-CD1 4.42Å; L401-L570 HydrophobicContact CD2-CD1 3.33Å; L401-L570 HydrophobicContact CG-CD1 4.18Å; V405-L570 HydrophobicContact CG2-CD2 4.07Å; F509-L570 HydrophobicContact CD2-CD2 4.1Å; F509-L570 HydrophobicContact CE2-CD2 4.18Å; I566-L570 WeakPolarHBondContact O-CG 3.47Å; I566-L570 PolarHBondContact O-N 2.97Å; I566-L570 VanDerWaalsContact O-N 3.16Å; I567-L570 CarbonylContact O-C 3.52Å; I567-L570 WeakPolarHBondContact O-CB 3.15Å; I567-L570 PolarHBondContact O-N 3.47Å; I567-L570 VanDerWaalsContact O-N 3.13Å; R568-L570 PolarHBondContact O-N 3.05Å; L570-D572 VanDerWaalsContact C-N 3.28Å; L570-D572 PolarHBondContact O-N 3.26Å; L570-I573 HydrophobicContact CD2-CD1 4.41Å; L570-I573 PolarHBondContact O-N 3.12Å; L570-M574 HydrophobicContact CB-CE 4.29Å; L570-M574 WeakPolarHBondContact O-CB 3.09Å; L570-M574 WeakPolarHBondContact O-CE 3.39Å; L570-M574 VanDerWaalsContact O-CG 3.28Å; L570-M574 WeakPolarHBondContact O-CG 3.23Å; L570-M574 PolarHBondContact O-N 2.79Å; L570-L595 HydrophobicContact CD2-CD2 3.58Å
571Q97.7Very high95.9Very high19 Ų1944.8 Ų44.89%0.08923%0.233CC..Hα-helixtrans-59.2-42.7171.6-70.3-176.7-60.700111.2L557 P558 W561 S562 I567 R568 M574 S575L557-Q571 HydrophobicContact CD1-CB 4.23Å; L557-Q571 HydrophobicContact CD1-CG 4.37Å; L557-Q571 HydrophobicContact CD2-CG 4.5Å; P558-Q571 PolarHBondContact O-NE2 3Å; W561-Q571 HydrophobicContact CB-CG 4.33Å; W561-Q571 HydrophobicContact CE3-CG 4.08Å; S562-Q571 VanDerWaalsContact CA-OE1 3.3Å; S562-Q571 VanDerWaalsContact N-OE1 3.12Å; I567-Q571 WeakPolarHBondContact O-CG 3.46Å; I567-Q571 PolarHBondContact O-N 2.84Å; R568-Q571 WeakPolarHBondContact O-CA 3.34Å; R568-Q571 WeakPolarHBondContact O-CB 3.49Å; R568-Q571 PolarHBondContact O-N 3.29Å; Q571-M574 HydrophobicContact CG-CE 4.32Å; Q571-M574 PolarHBondContact O-N 2.83Å; Q571-S575 WeakPolarHBondContact O-CB 3.44Å; Q571-S575 PolarHBondContact O-N 2.86Å; Q571-S575 PolarHBondContact O-OG 3.14Å
572D97.6Very high95.6Very high88 Ų8846.2 Ų46.247%0.47124%0.243SC..Hα-helixtrans-63-50.8177.3-62.1-25.6000110.2R568 L570 M574 S575 E576R568-D572 PolarHBondContact O-N 3.19Å; L570-D572 VanDerWaalsContact C-N 3.28Å; L570-D572 PolarHBondContact O-N 3.26Å; D572-M574 PolarHBondContact O-N 2.9Å; D572-S575 PolarHBondContact O-N 3.15Å; D572-E576 WeakPolarHBondContact O-CG 3.46Å; D572-E576 PolarHBondContact O-N 3.34Å
573I98.4Very high95.3Very high6 Ų647.8 Ų47.83%0.03125%0.254CS..Hα-helixtrans-57.9-46.8177.8-69.7167.6000111.9F509 A569 L570 E576 C577 L586 V591 L595F509-I573 HydrophobicContact CD2-CG2 4.12Å; F509-I573 HydrophobicContact CE2-CG2 3.89Å; A569-I573 WeakPolarHBondContact O-CG1 3.46Å; A569-I573 PolarHBondContact O-N 3.31Å; A569-I573 VanDerWaalsContact O-N 3.13Å; L570-I573 HydrophobicContact CD2-CD1 4.41Å; L570-I573 PolarHBondContact O-N 3.12Å; I573-E576 PolarHBondContact O-N 3.42Å; I573-C577 WeakPolarHBondContact O-CB 3.4Å; I573-C577 PolarHBondContact O-N 3.38Å; I573-C577 PolarHBondContact O-SG 3.17Å; I573-L586 HydrophobicContact CG1-CD1 4.47Å; I573-L586 HydrophobicContact CG2-CD1 4.33Å; I573-V591 HydrophobicContact CG2-CG1 3.88Å; I573-V591 HydrophobicContact CG2-CG2 4.19Å; I573-L595 HydrophobicContact CD1-CD2 3.77Å; I573-L595 HydrophobicContact CD1-CG 4.25Å
574M98.4Very high95.1Very high0 Ų043 Ų430%024%0.242CC..Hα-helixtrans-60-46177.7-76-176-75.300111.3F509 W510 T513 L557 W561 L570 Q571 D572 E576 C577 W578F509-M574 HydrophobicContact CB-CG 3.71Å; F509-M574 HydrophobicContact CB-SD 3.92Å; F509-M574 HydrophobicContact CD2-CG 4.44Å; W510-M574 WeakPolarHBondContact CA-SD 3.45Å; W510-M574 HydrophobicContact CB-SD 3.7Å; W510-M574 PolarHBondContact N-SD 2.67Å; T513-M574 HydrophobicContact CG2-CE 4.46Å; L557-M574 HydrophobicContact CD2-CE 3.81Å; L557-M574 HydrophobicContact CD2-SD 4.27Å; W561-M574 HydrophobicContact CE3-CE 4.48Å; W561-M574 HydrophobicContact CZ3-CE 4.08Å; L570-M574 HydrophobicContact CB-CE 4.29Å; L570-M574 WeakPolarHBondContact O-CB 3.09Å; L570-M574 WeakPolarHBondContact O-CE 3.39Å; L570-M574 VanDerWaalsContact O-CG 3.28Å; L570-M574 WeakPolarHBondContact O-CG 3.23Å; L570-M574 PolarHBondContact O-N 2.79Å; Q571-M574 HydrophobicContact CG-CE 4.32Å; Q571-M574 PolarHBondContact O-N 2.83Å; D572-M574 PolarHBondContact O-N 2.9Å; M574-E576 VanDerWaalsContact C-N 3.29Å; M574-E576 PolarHBondContact O-N 2.77Å; M574-C577 PolarHBondContact O-N 2.8Å; M574-W578 HydrophobicContact CB-CE3 4.34Å; M574-W578 HydrophobicContact CB-CH2 3.91Å; M574-W578 HydrophobicContact CB-CZ2 4.14Å; M574-W578 HydrophobicContact CB-CZ3 4.02Å; M574-W578 HydrophobicContact CG-CH2 4.34Å; M574-W578 HydrophobicContact CG-CZ2 4.37Å; M574-W578 VanDerWaalsContact O-CG 3.25Å; M574-W578 PolarHBondContact O-N 3.16Å; M574-W578 VanDerWaalsContact O-N 3.12Å; M574-W578 HydrophobicContact SD-CH2 4.05Å; M574-W578 HydrophobicContact SD-CZ2 4.37Å
575S97.6Very high95.1Very high55 Ų5543 Ų4339%0.38524%0.241SC..Hα-helixtrans-59.9-41.9178.6-54.50000111.6Q571 D572 W578Q571-S575 WeakPolarHBondContact O-CB 3.44Å; Q571-S575 PolarHBondContact O-N 2.86Å; Q571-S575 PolarHBondContact O-OG 3.14Å; D572-S575 PolarHBondContact O-N 3.15Å; S575-W578 PolarHBondContact O-N 2.83Å
576E97.5Very high95.1Very high68 Ų6839.4 Ų39.432%0.31823%0.225SC..Hα-helixtrans-71.7-32177.8-64.2-179-98.100112.8D572 I573 M574 W578 Y579 R585 L586D572-E576 WeakPolarHBondContact O-CG 3.46Å; D572-E576 PolarHBondContact O-N 3.34Å; I573-E576 PolarHBondContact O-N 3.42Å; M574-E576 VanDerWaalsContact C-N 3.29Å; M574-E576 PolarHBondContact O-N 2.77Å; E576-W578 PolarHBondContact O-N 3.28Å; E576-Y579 HydrophobicContact CB-CD2 4.32Å; E576-Y579 HydrophobicContact CB-CE2 4.05Å; E576-Y579 HydrophobicContact CG-CE2 4.01Å; E576-Y579 WeakPolarHBondContact O-CD2 3.49Å; E576-R585 WeakPolarHBondContact O-CA 3.46Å; E576-L586 HydrophobicContact CB-CD1 3.76Å; E576-L586 HydrophobicContact CB-CD2 4.38Å; E576-L586 HydrophobicContact CB-CG 3.74Å; E576-L586 HydrophobicContact CG-CD1 4.48Å; E576-L586 WeakPolarHBondContact OE2-CD2 3.42Å
577C98.1Very high95.2Very high0 Ų042 Ų420%024%0.243CC..Hα-helixtrans-66.9-22.6171.8-75.40000112.9M502 I573 M574 R585M502-C577 WeakPolarHBondContact O-CB 3.46Å; I573-C577 WeakPolarHBondContact O-CB 3.4Å; I573-C577 PolarHBondContact O-N 3.38Å; I573-C577 PolarHBondContact O-SG 3.17Å; M574-C577 PolarHBondContact O-N 2.8Å; C577-R585 WeakPolarHBondContact O-CD 3.33Å; C577-R585 WeakPolarHBondContact O-CG 3.4Å
578W97.7Very high95.3Very high12 Ų1242 Ų425%0.04524%0.244CC..THydrogen-bonded Turntrans-1007.5-175.1-65.4-26.1000115.4Y503 G506 L507 W510 R554 P555 L557 M574 S575 E576 A580Y503-W578 AromaticContact CD2-CD1 3.79Å; Y503-W578 HydrophobicContact CD2-CG 4.49Å; Y503-W578 HydrophobicContact CE2-CB 4.31Å; Y503-W578 AromaticContact CE2-CD1 3.85Å; Y503-W578 HydrophobicContact CE2-CG 4.32Å; G506-W578 VanDerWaalsContact C-NE1 3.3Å; G506-W578 VanDerWaalsContact O-CZ2 3.22Å; G506-W578 WeakPolarHBondContact O-CZ2 3.23Å; L507-W578 HydrophobicContact CD2-CZ2 3.96Å; W510-W578 HydrophobicContact CB-CH2 3.91Å; W510-W578 HydrophobicContact CB-CZ2 3.9Å; W510-W578 AromaticContact CD1-CH2 3.89Å; W510-W578 HydrophobicContact CG-CH2 4.12Å; W510-W578 HydrophobicContact CG-CZ2 4.49Å; R554-W578 HydrophobicContact CB-CE3 4.04Å; R554-W578 HydrophobicContact CB-CZ3 4.47Å; R554-W578 HydrophobicContact CG-CB 4.22Å; R554-W578 HydrophobicContact CG-CE3 4.42Å; R554-W578 PolarHBondContact NE-O 3.02Å; R554-W578 PolarHBondContact NH2-O 3.47Å; P555-W578 HydrophobicContact CB-CH2 4.27Å; P555-W578 HydrophobicContact CG-CH2 4.22Å; P555-W578 HydrophobicContact CG-CZ2 4.23Å; L557-W578 HydrophobicContact CD1-CZ3 4.27Å; L557-W578 HydrophobicContact CD2-CH2 4.18Å; L557-W578 HydrophobicContact CD2-CZ3 4.09Å; L557-W578 HydrophobicContact CG-CZ3 4.22Å; M574-W578 HydrophobicContact CB-CE3 4.34Å; M574-W578 HydrophobicContact CB-CH2 3.91Å; M574-W578 HydrophobicContact CB-CZ2 4.14Å; M574-W578 HydrophobicContact CB-CZ3 4.02Å; M574-W578 HydrophobicContact CG-CH2 4.34Å; M574-W578 HydrophobicContact CG-CZ2 4.37Å; M574-W578 VanDerWaalsContact O-CG 3.25Å; M574-W578 PolarHBondContact O-N 3.16Å; M574-W578 VanDerWaalsContact O-N 3.12Å; M574-W578 HydrophobicContact SD-CH2 4.05Å; M574-W578 HydrophobicContact SD-CZ2 4.37Å; S575-W578 PolarHBondContact O-N 2.83Å; E576-W578 PolarHBondContact O-N 3.28Å; W578-A580 PolarHBondContact O-N 3.37Å
579Y93.4Very high95.3Very high121 Ų12139.3 Ų39.348%0.47524%0.236SC..  trans-51.1136173.6-85-59.9000111.2E576 S581 A584 R585E576-Y579 HydrophobicContact CB-CD2 4.32Å; E576-Y579 HydrophobicContact CB-CE2 4.05Å; E576-Y579 HydrophobicContact CG-CE2 4.01Å; E576-Y579 WeakPolarHBondContact O-CD2 3.49Å; Y579-S581 VanDerWaalsContact C-N 3.29Å; Y579-S581 PolarHBondContact O-N 2.95Å; Y579-A584 HydrophobicContact CD2-CB 4.12Å; Y579-A584 HydrophobicContact CG-CB 4.07Å; Y579-R585 PolarHBondContact O-NE 3.01Å; Y579-R585 PolarHBondContact O-NH2 3.02Å
580A88Confident95.3Very high71 Ų7145.1 Ų45.159%0.58725%0.254SS*.SBendtrans-61.2-40178.900000111.4W578 P582W578-A580 PolarHBondContact O-N 3.37Å; A580-P582 WeakPolarHBondContact O-CD 3.14Å
581S87.3Confident95.4Very high61 Ų6145.1 Ų45.143%0.42725%0.254SS..SBendtrans-76.2118.8172.7-176.30000110.6Y579 S583 A584Y579-S581 VanDerWaalsContact C-N 3.29Å; Y579-S581 PolarHBondContact O-N 2.95Å; S581-S583 VanDerWaalsContact C-N 3.29Å; S581-S583 PolarHBondContact O-N 3.27Å; S581-S583 PolarHBondContact OG-OG 3.14Å; S581-A584 PolarHBondContact O-N 2.94Å; S581-A584 VanDerWaalsContact O-N 3.12Å
582P89.5Confident95.4Very high31 Ų3147.8 Ų47.820%0.20127%0.265CS..G310 helixtrans-60.7-36.1-178-26.337.1000113.5E483 Q499 A580 A584 R585E483-P582 HydrophobicContact CB-CG 4.23Å; E483-P582 VanDerWaalsContact CD-CG 3.44Å; E483-P582 HydrophobicContact CG-CG 3.89Å; Q499-P582 HydrophobicContact CB-CB 3.85Å; Q499-P582 HydrophobicContact CG-CB 4.42Å; Q499-P582 WeakPolarHBondContact CG-O 3.19Å; Q499-P582 VanDerWaalsContact OE1-CB 3.22Å; A580-P582 WeakPolarHBondContact O-CD 3.14Å; P582-A584 PolarHBondContact O-N 3.45Å; P582-R585 WeakPolarHBondContact O-CB 3.2Å; P582-R585 PolarHBondContact O-N 2.74Å; P582-R585 VanDerWaalsContact O-N 3.15Å
583S88.8Confident95.4Very high75 Ų7549.7 Ų49.752%0.52427%0.269SS..G310 helixtrans-69.7-15.9178.852.30000114.4S581S581-S583 VanDerWaalsContact C-N 3.29Å; S581-S583 PolarHBondContact O-N 3.27Å; S581-S583 PolarHBondContact OG-OG 3.14Å
584A90.9Very high95.4Very high49 Ų4951 Ų5141%0.40528%0.279SS..G310 helixtrans-86.3-10.617500000112.7Y579 S581 P582Y579-A584 HydrophobicContact CD2-CB 4.12Å; Y579-A584 HydrophobicContact CG-CB 4.07Å; S581-A584 PolarHBondContact O-N 2.94Å; S581-A584 VanDerWaalsContact O-N 3.12Å; P582-A584 PolarHBondContact O-N 3.45Å
585R95.4Very high95.4Very high16 Ų1651.1 Ų51.16%0.0628%0.279CS..SBendtrans-74147.6-179.5-60.9176.7-168.9148.112.3111.1E483 Q499 E576 C577 Y579 P582E483-R585 IonicContact OE1-CZ 3.52Å; E483-R585 IonicContact OE1-NH1 2.73Å; E483-R585 PolarHBondContact OE1-NH1 3.27Å; E483-R585 IonicContact OE1-NH2 2.7Å; E483-R585 IonicContact OE2-CZ 3.31Å; E483-R585 IonicContact OE2-NH1 2.82Å; E483-R585 PolarHBondContact OE2-NH1 3.23Å; E483-R585 IonicContact OE2-NH2 3.22Å; E483-R585 PolarHBondContact OE2-NH2 2.99Å; Q499-R585 WeakPolarHBondContact O-CD 3.31Å; Q499-R585 PolarHBondContact O-NH1 3.46Å; E576-R585 WeakPolarHBondContact O-CA 3.46Å; C577-R585 WeakPolarHBondContact O-CD 3.33Å; C577-R585 WeakPolarHBondContact O-CG 3.4Å; Y579-R585 PolarHBondContact O-NE 3.01Å; Y579-R585 PolarHBondContact O-NH2 3.02Å; P582-R585 WeakPolarHBondContact O-CB 3.2Å; P582-R585 PolarHBondContact O-N 2.74Å; P582-R585 VanDerWaalsContact O-N 3.15Å
586L96.1Very high95.4Very high17 Ų1751.4 Ų51.49%0.08929%0.285CS..PPolyproline II helixtrans-62.8139174-59.6176000110.2M502 I573 E576 R590 V591M502-L586 VanDerWaalsContact CE-O 3.3Å; M502-L586 WeakPolarHBondContact CE-O 3.45Å; M502-L586 WeakPolarHBondContact CG-O 3.28Å; I573-L586 HydrophobicContact CG1-CD1 4.47Å; I573-L586 HydrophobicContact CG2-CD1 4.33Å; E576-L586 HydrophobicContact CB-CD1 3.76Å; E576-L586 HydrophobicContact CB-CD2 4.38Å; E576-L586 HydrophobicContact CB-CG 3.74Å; E576-L586 HydrophobicContact CG-CD1 4.48Å; E576-L586 WeakPolarHBondContact OE2-CD2 3.42Å; L586-R590 HydrophobicContact CB-CG 4.4Å; L586-R590 HydrophobicContact CD2-CG 3.69Å; L586-V591 HydrophobicContact CB-CG2 3.63Å; L586-V591 HydrophobicContact CD1-CG2 3.94Å; L586-V591 HydrophobicContact CG-CG2 4.45Å
587S97.2Very high95.4Very high55 Ų5549.9 Ų49.939%0.38529%0.288SS..PPolyproline II helixtrans-74155.6167.268.50000111M589 R590 V591S587-M589 PolarHBondContact O-N 2.89Å; S587-M589 VanDerWaalsContact O-N 3.16Å; S587-R590 WeakPolarHBondContact O-CA 3.44Å; S587-R590 WeakPolarHBondContact O-CB 3.38Å; S587-R590 PolarHBondContact O-N 3.33Å; S587-R590 PolarHBondContact OG-N 3.48Å; S587-V591 PolarHBondContact O-N 3.24Å
588A98.5Very high95.3Very high1 Ų150.3 Ų50.31%0.00829%0.29CS..Hα-helixtrans-55-36.717700000112.3T409 L412 A413 M502 V591 K592T409-A588 WeakPolarHBondContact CG2-O 3.38Å; L412-A588 HydrophobicContact CB-CB 4.44Å; L412-A588 HydrophobicContact CD2-CB 4.34Å; L412-A588 HydrophobicContact CG-CB 4.16Å; A413-A588 HydrophobicContact CB-CB 3.92Å; M502-A588 HydrophobicContact CE-CB 4.32Å; M502-A588 HydrophobicContact SD-CB 3.68Å; M502-A588 PolarHBondContact SD-N 3.44Å; A588-V591 PolarHBondContact O-N 3.05Å; A588-K592 WeakPolarHBondContact O-CB 3.5Å; A588-K592 PolarHBondContact O-N 3.3Å
589M97.8Very high95.2Very high59 Ų5953.3 Ų53.329%0.29130%0.301SS..Hα-helixtrans-65.7-38.4174.8-175.554.559.100112.8A413 M417 S587 K592 K593A413-M589 HydrophobicContact CB-CE 4.39Å; M417-M589 HydrophobicContact CE-CE 3.09Å; S587-M589 PolarHBondContact O-N 2.89Å; S587-M589 VanDerWaalsContact O-N 3.16Å; M589-K592 PolarHBondContact O-N 3.49Å; M589-K592 HydrophobicContact SD-CD 4.37Å; M589-K593 WeakPolarHBondContact O-CG 3.18Å; M589-K593 PolarHBondContact O-N 3.21Å; M589-K593 VanDerWaalsContact O-N 3.11Å
590R98.1Very high95.2Very high144 Ų14454.7 Ų54.754%0.54331%0.31SS..Hα-helixtrans-67.3-45176.1177.357.1176.9169.80.9110.8L586 S587 K592 K593 S594L586-R590 HydrophobicContact CB-CG 4.4Å; L586-R590 HydrophobicContact CD2-CG 3.69Å; S587-R590 WeakPolarHBondContact O-CA 3.44Å; S587-R590 WeakPolarHBondContact O-CB 3.38Å; S587-R590 PolarHBondContact O-N 3.33Å; S587-R590 PolarHBondContact OG-N 3.48Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 2.9Å; R590-K593 PolarHBondContact O-N 3.15Å; R590-S594 PolarHBondContact O-N 3.13Å; R590-S594 PolarHBondContact O-OG 2.76Å
591V98.7Very high95.4Very high0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-59-45.1174.8179.80000110.8T409 M502 L505 F509 I573 L586 S587 A588 K593 S594 L595T409-V591 HydrophobicContact CG2-CB 3.89Å; T409-V591 HydrophobicContact CG2-CG1 3.74Å; M502-V591 HydrophobicContact CE-CB 4.41Å; M502-V591 HydrophobicContact CE-CG2 3.6Å; L505-V591 HydrophobicContact CD2-CG1 4.42Å; F509-V591 HydrophobicContact CE2-CG1 4.01Å; F509-V591 HydrophobicContact CZ-CG1 4.14Å; I573-V591 HydrophobicContact CG2-CG1 3.88Å; I573-V591 HydrophobicContact CG2-CG2 4.19Å; L586-V591 HydrophobicContact CB-CG2 3.63Å; L586-V591 HydrophobicContact CD1-CG2 3.94Å; L586-V591 HydrophobicContact CG-CG2 4.45Å; S587-V591 PolarHBondContact O-N 3.24Å; A588-V591 PolarHBondContact O-N 3.05Å; V591-K593 VanDerWaalsContact C-N 3.32Å; V591-K593 PolarHBondContact O-N 2.87Å; V591-S594 PolarHBondContact O-N 3.26Å; V591-S594 VanDerWaalsContact O-N 3.12Å; V591-L595 HydrophobicContact CG1-CD1 3.99Å; V591-L595 HydrophobicContact CG1-CG 4.21Å; V591-L595 WeakPolarHBondContact O-CG 3.3Å; V591-L595 PolarHBondContact O-N 3.05Å
592K98.5Very high95.6Very high75 Ų7553.3 Ų53.333%0.32629%0.285SS..Hα-helixtrans-54.5-46.6175.9177.7172.2176.7158.50112T409 N410 A413 A588 M589 R590 L595 A596T409-K592 HydrophobicContact CG2-CB 3.89Å; N410-K592 WeakPolarHBondContact OD1-CD 3.29Å; N410-K592 WeakPolarHBondContact OD1-CE 3.27Å; N410-K592 WeakPolarHBondContact OD1-CG 3.49Å; N410-K592 PolarHBondContact OD1-NZ 3.21Å; A413-K592 HydrophobicContact CB-CD 4.25Å; A588-K592 WeakPolarHBondContact O-CB 3.5Å; A588-K592 PolarHBondContact O-N 3.3Å; M589-K592 PolarHBondContact O-N 3.49Å; M589-K592 HydrophobicContact SD-CD 4.37Å; R590-K592 VanDerWaalsContact C-N 3.33Å; R590-K592 PolarHBondContact O-N 2.9Å; K592-L595 PolarHBondContact O-N 3.11Å; K592-A596 PolarHBondContact O-N 3.09Å
593K98.1Very high95.6Very high127 Ų12756.4 Ų56.455%0.55230%0.3SS*.Hα-helixtrans-65.1-41.4177.3-72179.3180-176.30112.1M589 R590 V591 A596 G597M589-K593 WeakPolarHBondContact O-CG 3.18Å; M589-K593 PolarHBondContact O-N 3.21Å; M589-K593 VanDerWaalsContact O-N 3.11Å; R590-K593 PolarHBondContact O-N 3.15Å; V591-K593 VanDerWaalsContact C-N 3.32Å; V591-K593 PolarHBondContact O-N 2.87Å; K593-A596 PolarHBondContact O-N 3.42Å; K593-G597 PolarHBondContact O-N 3.09Å; K593-G597 VanDerWaalsContact O-N 3.12Å
594S98Very high95.7Very high33 Ų3358.1 Ų58.123%0.23131%0.307CS..Hα-helixtrans-61.7-47.1176.3-620000111.5R590 V591 A596 G597 V598R590-S594 PolarHBondContact O-N 3.13Å; R590-S594 PolarHBondContact O-OG 2.76Å; V591-S594 PolarHBondContact O-N 3.26Å; V591-S594 VanDerWaalsContact O-N 3.12Å; S594-A596 VanDerWaalsContact C-N 3.34Å; S594-A596 PolarHBondContact O-N 2.84Å; S594-G597 WeakPolarHBondContact O-CA 3.41Å; S594-G597 PolarHBondContact O-N 2.89Å; S594-V598 WeakPolarHBondContact O-CG2 3.49Å; S594-V598 PolarHBondContact O-N 2.92Å
595L98.3Very high95.8Very high3 Ų359 Ų592%0.01631%0.305CS..Hα-helixtrans-64.4-35.4177.9-67.4177.9000112.9L402 V405 A406 T409 F509 L570 I573 V591 K592 G597 V598 R599L402-L595 HydrophobicContact CD1-CD2 3.99Å; V405-L595 HydrophobicContact CG2-CD1 4.15Å; V405-L595 HydrophobicContact CG2-CD2 4.1Å; A406-L595 HydrophobicContact CB-CD1 4.45Å; T409-L595 HydrophobicContact CG2-CD1 4.39Å; T409-L595 WeakPolarHBondContact OG1-CD1 3.39Å; F509-L595 HydrophobicContact CE2-CD1 4.29Å; F509-L595 HydrophobicContact CZ-CD1 4Å; L570-L595 HydrophobicContact CD2-CD2 3.58Å; I573-L595 HydrophobicContact CD1-CD2 3.77Å; I573-L595 HydrophobicContact CD1-CG 4.25Å; V591-L595 HydrophobicContact CG1-CD1 3.99Å; V591-L595 HydrophobicContact CG1-CG 4.21Å; V591-L595 WeakPolarHBondContact O-CG 3.3Å; V591-L595 PolarHBondContact O-N 3.05Å; K592-L595 PolarHBondContact O-N 3.11Å; L595-G597 VanDerWaalsContact C-N 3.28Å; L595-G597 PolarHBondContact O-N 3.43Å; L595-V598 PolarHBondContact O-N 3.06Å; L595-R599 WeakPolarHBondContact O-CB 3.37Å; L595-R599 PolarHBondContact O-N 2.83Å
596A97.6Very high95.4Very high62 Ų6262.2 Ų62.251%0.51233%0.328SS..Hα-helixtrans-62.4-37171.600000111.9K592 K593 S594 R599 K600K592-A596 PolarHBondContact O-N 3.09Å; K593-A596 PolarHBondContact O-N 3.42Å; S594-A596 VanDerWaalsContact C-N 3.34Å; S594-A596 PolarHBondContact O-N 2.84Å; A596-R599 PolarHBondContact O-N 3.04Å; A596-K600 PolarHBondContact O-N 2.69Å
597G96.4Very high95Very high35 Ų3565.3 Ų65.336%0.36136%0.356SS..Hα-helixtrans-63.2-45.8171.800000112.8K593 S594 L595 R599 K600 Q601K593-G597 PolarHBondContact O-N 3.09Å; K593-G597 VanDerWaalsContact O-N 3.12Å; S594-G597 WeakPolarHBondContact O-CA 3.41Å; S594-G597 PolarHBondContact O-N 2.89Å; L595-G597 VanDerWaalsContact C-N 3.28Å; L595-G597 PolarHBondContact O-N 3.43Å; G597-R599 VanDerWaalsContact C-N 3.28Å; G597-R599 PolarHBondContact O-N 2.89Å; G597-K600 WeakPolarHBondContact O-CB 3.37Å; G597-K600 PolarHBondContact O-N 2.88Å; G597-Q601 PolarHBondContact O-N 3.08Å; G597-Q601 VanDerWaalsContact O-N 3.14Å
598V96.5Very high94.6Very high9 Ų963.5 Ų63.56%0.05534%0.342CS..Hα-helixtrans-62.4-37.7174.9-179.80000111L402 I566 A569 S594 L595 K600 Q601 L602L402-V598 HydrophobicContact CD1-CB 4.38Å; L402-V598 HydrophobicContact CD1-CG1 4.1Å; L402-V598 HydrophobicContact CD2-CG1 4.08Å; I566-V598 HydrophobicContact CB-CG1 4.21Å; I566-V598 HydrophobicContact CG1-CG1 4.02Å; I566-V598 HydrophobicContact CG2-CG1 3.95Å; A569-V598 HydrophobicContact CB-CG1 4.49Å; A569-V598 HydrophobicContact CB-CG2 3.57Å; S594-V598 WeakPolarHBondContact O-CG2 3.49Å; S594-V598 PolarHBondContact O-N 2.92Å; L595-V598 PolarHBondContact O-N 3.06Å; V598-K600 PolarHBondContact O-N 2.87Å; V598-Q601 WeakPolarHBondContact O-CB 3.48Å; V598-Q601 PolarHBondContact O-N 2.82Å; V598-L602 PolarHBondContact O-N 2.97Å
599R95Very high93.9Very high75 Ų7564.1 Ų64.128%0.28335%0.346SS..Hα-helixtrans-62.8-43.3175.7-177.959-175.2-137.5-0.9112L402 L595 A596 G597 Q601 L602 D603L402-R599 HydrophobicContact CD2-CB 3.99Å; L595-R599 WeakPolarHBondContact O-CB 3.37Å; L595-R599 PolarHBondContact O-N 2.83Å; A596-R599 PolarHBondContact O-N 3.04Å; G597-R599 VanDerWaalsContact C-N 3.28Å; G597-R599 PolarHBondContact O-N 2.89Å; R599-Q601 VanDerWaalsContact C-N 3.27Å; R599-Q601 PolarHBondContact O-N 3.29Å; R599-L602 WeakPolarHBondContact O-CB 3.35Å; R599-L602 PolarHBondContact O-N 2.87Å; R599-L602 VanDerWaalsContact O-N 3.13Å; R599-D603 IonicContact CZ-OD1 2.97Å; R599-D603 IonicContact NE-OD1 3.66Å; R599-D603 PolarHBondContact NE-OD1 2.93Å; R599-D603 IonicContact NE-OD2 3.05Å; R599-D603 IonicContact NH2-OD1 2.72Å; R599-D603 VanDerWaalsContact O-CG 3.23Å; R599-D603 PolarHBondContact O-N 3.43Å
600K94.3Very high93.2Very high150 Ų15062.1 Ų62.165%0.65234%0.336SS*.Hα-helixtrans-60.1-36.9174.4-172.2179.1179-178.90112.4A596 G597 V598 D603 T604A596-K600 PolarHBondContact O-N 2.69Å; G597-K600 WeakPolarHBondContact O-CB 3.37Å; G597-K600 PolarHBondContact O-N 2.88Å; V598-K600 PolarHBondContact O-N 2.87Å; K600-D603 PolarHBondContact O-N 2.89Å; K600-T604 WeakPolarHBondContact O-CB 3.49Å; K600-T604 PolarHBondContact O-N 2.95Å; K600-T604 PolarHBondContact O-OG1 2.72Å
601Q91.5Very high92.3Very high98 Ų9856.8 Ų56.846%0.45832%0.319SS..Hα-helixtrans-63.9-44.9174.1-67.1172.1-9.200111.4G597 V598 R599 D603 T604 N605G597-Q601 PolarHBondContact O-N 3.08Å; G597-Q601 VanDerWaalsContact O-N 3.14Å; V598-Q601 WeakPolarHBondContact O-CB 3.48Å; V598-Q601 PolarHBondContact O-N 2.82Å; R599-Q601 VanDerWaalsContact C-N 3.27Å; R599-Q601 PolarHBondContact O-N 3.29Å; Q601-D603 PolarHBondContact O-N 2.95Å; Q601-T604 PolarHBondContact O-N 2.95Å; Q601-N605 PolarHBondContact O-N 3.23Å
602L91.5Very high91.1Very high5 Ų560.2 Ų60.23%0.02634%0.343CS..Hα-helixtrans-60-43.4175177.559.8000112.4F399 L402 I566 V598 R599 T604 N605 L608 S609F399-L602 HydrophobicContact CB-CD2 4.46Å; F399-L602 HydrophobicContact CD2-CD2 3.95Å; L402-L602 HydrophobicContact CD2-CB 4.39Å; L402-L602 HydrophobicContact CD2-CD2 3.85Å; I566-L602 HydrophobicContact CD1-CB 4.02Å; I566-L602 HydrophobicContact CD1-CD1 3.71Å; I566-L602 HydrophobicContact CD1-CD2 4.1Å; I566-L602 HydrophobicContact CD1-CG 4.15Å; V598-L602 PolarHBondContact O-N 2.97Å; R599-L602 WeakPolarHBondContact O-CB 3.35Å; R599-L602 PolarHBondContact O-N 2.87Å; R599-L602 VanDerWaalsContact O-N 3.13Å; L602-T604 VanDerWaalsContact C-N 3.28Å; L602-T604 PolarHBondContact O-N 2.77Å; L602-N605 CarbonylContact O-C 3.37Å; L602-N605 PolarHBondContact O-N 2.89Å; L602-L608 HydrophobicContact CD1-CB 3.86Å; L602-S609 VanDerWaalsContact CD1-CA 3.47Å
603D90.3Very high89.7Confident96 Ų9656.8 Ų56.851%0.51333%0.328SS..Hα-helixtrans-68.1-30.9179.3-60.8-28000111.5R599 K600 Q601R599-D603 IonicContact CZ-OD1 2.97Å; R599-D603 IonicContact NE-OD1 3.66Å; R599-D603 PolarHBondContact NE-OD1 2.93Å; R599-D603 IonicContact NE-OD2 3.05Å; R599-D603 IonicContact NH2-OD1 2.72Å; R599-D603 VanDerWaalsContact O-CG 3.23Å; R599-D603 PolarHBondContact O-N 3.43Å; K600-D603 PolarHBondContact O-N 2.89Å; Q601-D603 PolarHBondContact O-N 2.95Å
604T91.6Very high88.3Confident111 Ų11151.6 Ų51.668%0.68131%0.307SS*.Hα-helixtrans-78.1-30.5176-51.40000112.3K600 Q601 L602K600-T604 WeakPolarHBondContact O-CB 3.49Å; K600-T604 PolarHBondContact O-N 2.95Å; K600-T604 PolarHBondContact O-OG1 2.72Å; Q601-T604 PolarHBondContact O-N 2.95Å; L602-T604 VanDerWaalsContact C-N 3.28Å; L602-T604 PolarHBondContact O-N 2.77Å
605N91.6Very high87.1Confident67 Ų6756.6 Ų56.636%0.35833%0.331SS..  trans-12882177.6-174.94.3000110.9Q601 L602 A607 L608Q601-N605 PolarHBondContact O-N 3.23Å; L602-N605 CarbonylContact O-C 3.37Å; L602-N605 PolarHBondContact O-N 2.89Å; N605-A607 PolarHBondContact O-N 3.34Å; N605-A607 WeakPolarHBondContact OD1-CB 3.44Å; N605-A607 PolarHBondContact OD1-N 3.29Å; N605-L608 HydrophobicContact CB-CD1 3.98Å; N605-L608 HydrophobicContact CB-CG 4.16Å; N605-L608 WeakPolarHBondContact O-CB 3.2Å; N605-L608 PolarHBondContact O-N 3.38Å
606P87.5Confident86Confident85 Ų8564 Ų6455%0.55236%0.36SS*.G310 helixtrans-59-17.5-178.9-26.335.3000114.3L608 S609P606-L608 PolarHBondContact O-N 3.03Å; P606-S609 VanDerWaalsContact O-CB 3.27Å; P606-S609 WeakPolarHBondContact O-CB 3.02Å; P606-S609 PolarHBondContact O-N 3.18Å; P606-S609 PolarHBondContact O-OG 3.36Å
607A87.2Confident85.1Confident81 Ų8162 Ų6267%0.66934%0.341SS*.G310 helixtrans-61.7-27.4174.900000112.5N605 S609 D610N605-A607 PolarHBondContact O-N 3.34Å; N605-A607 WeakPolarHBondContact OD1-CB 3.44Å; N605-A607 PolarHBondContact OD1-N 3.29Å; A607-S609 PolarHBondContact O-N 3.37Å; A607-D610 PolarHBondContact O-N 2.9Å
608L88.5Confident84.4Confident18 Ų1864 Ų649%0.09435%0.347CS..G310 helixtrans-69.7-13.9175.5-63.1175.1000113.5P398 H564 E565 I566 L602 N605 P606 D610P398-L608 VanDerWaalsContact CB-O 3.3Å; P398-L608 WeakPolarHBondContact CB-O 3.27Å; H564-L608 PolarHBondContact CE1-O 2.89Å; H564-L608 PolarHBondContact NE2-O 3.38Å; E565-L608 HydrophobicContact CB-CD1 4.42Å; E565-L608 HydrophobicContact CB-CD2 4.19Å; E565-L608 HydrophobicContact CG-CD2 4.25Å; E565-L608 WeakPolarHBondContact OE2-CD1 3.49Å; I566-L608 HydrophobicContact CD1-CB 4.07Å; I566-L608 HydrophobicContact CG1-CB 4.46Å; L602-L608 HydrophobicContact CD1-CB 3.86Å; N605-L608 HydrophobicContact CB-CD1 3.98Å; N605-L608 HydrophobicContact CB-CG 4.16Å; N605-L608 WeakPolarHBondContact O-CB 3.2Å; N605-L608 PolarHBondContact O-N 3.38Å; P606-L608 PolarHBondContact O-N 3.03Å; L608-D610 PolarHBondContact O-N 2.98Å
609S85.7Confident83.7Confident13 Ų1368 Ų689%0.09137%0.373CS..G310 helixtrans-72.3-23.1177.5690000112.7L602 P606 A607 L611L602-S609 VanDerWaalsContact CD1-CA 3.47Å; P606-S609 VanDerWaalsContact O-CB 3.27Å; P606-S609 WeakPolarHBondContact O-CB 3.02Å; P606-S609 PolarHBondContact O-N 3.18Å; P606-S609 PolarHBondContact O-OG 3.36Å; A607-S609 PolarHBondContact O-N 3.37Å; S609-L611 PolarHBondContact O-N 3.3Å; S609-L611 WeakPolarHBondContact OG-CD1 3.46Å; S609-L611 WeakPolarHBondContact OG-CG 3.35Å
610D82Confident83.2Confident17 Ų1770.8 Ų70.89%0.09139%0.389CS..  trans4642.5-172.1-16822.5000113.7P398 V518 R519 A607 L608 H613P398-D610 HydrophobicContact CG-CB 4.26Å; V518-D610 WeakPolarHBondContact CA-OD2 3.14Å; R519-D610 WeakPolarHBondContact CB-OD1 3.37Å; R519-D610 VanDerWaalsContact CB-OD2 3.27Å; R519-D610 WeakPolarHBondContact CB-OD2 3.27Å; R519-D610 PolarHBondContact N-OD2 2.93Å; A607-D610 PolarHBondContact O-N 2.9Å; L608-D610 PolarHBondContact O-N 2.98Å; D610-H613 VanDerWaalsContact CG-ND1 3.35Å; D610-H613 PolarHBondContact O-CE1 3.01Å; D610-H613 PolarHBondContact O-ND1 2.58Å; D610-H613 IonicContact OD1-CE1 3.01Å; D610-H613 IonicContact OD1-ND1 3.29Å; D610-H613 PolarHBondContact OD1-ND1 3.27Å; D610-H613 IonicContact OD2-CE1 3.41Å; D610-H613 PolarHBondContact OD2-CE1 2.92Å; D610-H613 VanDerWaalsContact OD2-CE1 3.29Å; D610-H613 IonicContact OD2-ND1 2.72Å; D610-H613 PolarHBondContact OD2-ND1 2.89Å
611L79.8Confident82.8Confident32 Ų3264.3 Ų64.317%0.16836%0.364CS..  trans-84.9-11.2178.5-66.8163.7000113.2T397 F399 S609 H613 T614 F627T397-L611 HydrophobicContact CG2-CD2 4.46Å; F399-L611 HydrophobicContact CB-CD1 4.33Å; F399-L611 HydrophobicContact CB-CD2 4.28Å; F399-L611 HydrophobicContact CB-CG 4.38Å; F399-L611 HydrophobicContact CD2-CD1 4.4Å; F399-L611 HydrophobicContact CG-CD1 4.28Å; S609-L611 PolarHBondContact O-N 3.3Å; S609-L611 WeakPolarHBondContact OG-CD1 3.46Å; S609-L611 WeakPolarHBondContact OG-CG 3.35Å; L611-H613 PolarHBondContact O-N 3.29Å; L611-H613 VanDerWaalsContact O-N 3.15Å; L611-T614 PolarHBondContact O-N 3.41Å; L611-T614 PolarHBondContact O-OG1 3.09Å; L611-F627 HydrophobicContact CB-CZ 4.34Å; L611-F627 HydrophobicContact CD1-CD1 4.48Å; L611-F627 HydrophobicContact CD1-CE1 3.33Å; L611-F627 HydrophobicContact CD1-CZ 3.62Å; L611-F627 HydrophobicContact CD2-CD1 4.14Å; L611-F627 HydrophobicContact CD2-CE1 3.48Å; L611-F627 VanDerWaalsContact CD2-CE1 3.48Å; L611-F627 HydrophobicContact CD2-CE2 4.4Å; L611-F627 HydrophobicContact CD2-CZ 3.63Å; L611-F627 HydrophobicContact CG-CE1 3.99Å; L611-F627 HydrophobicContact CG-CZ 4.05Å
612S73.2Confident82.7Confident72 Ų7261.9 Ų61.950%0.50336%0.356SS..THydrogen-bonded Turntrans-62.5-26.9-173.168.50000113.8Y616S612-Y616 WeakPolarHBondContact O-CE2 3.48Å
613H69.3Low82.5Confident3 Ų365.8 Ų65.81%0.01438%0.377CS..THydrogen-bonded Turntrans-87.6-17.6-175.368.4-92.9000113.8Y517 R519 D610 L611 N615 Y616Y517-H613 AromaticContact CD1-CE1 3.96Å; Y517-H613 AromaticContact CD1-NE2 3.43Å; Y517-H613 WeakPolarHBondContact CD1-NE2 3.27Å; Y517-H613 AromaticContact CE1-CD2 3.77Å; Y517-H613 AromaticContact CE1-CE1 3.99Å; Y517-H613 AromaticContact CE1-NE2 3.44Å; Y517-H613 WeakPolarHBondContact CE1-NE2 3.44Å; R519-H613 HydrophobicContact CG-CB 4.11Å; D610-H613 VanDerWaalsContact CG-ND1 3.35Å; D610-H613 PolarHBondContact O-CE1 3.01Å; D610-H613 PolarHBondContact O-ND1 2.58Å; D610-H613 IonicContact OD1-CE1 3.01Å; D610-H613 IonicContact OD1-ND1 3.29Å; D610-H613 PolarHBondContact OD1-ND1 3.27Å; D610-H613 IonicContact OD2-CE1 3.41Å; D610-H613 PolarHBondContact OD2-CE1 2.92Å; D610-H613 VanDerWaalsContact OD2-CE1 3.29Å; D610-H613 IonicContact OD2-ND1 2.72Å; D610-H613 PolarHBondContact OD2-ND1 2.89Å; L611-H613 PolarHBondContact O-N 3.29Å; L611-H613 VanDerWaalsContact O-N 3.15Å; H613-N615 PolarHBondContact O-N 3.47Å; H613-N615 VanDerWaalsContact O-N 3.16Å; H613-Y616 PolarHBondContact O-N 3.18Å
614T69.5Low82.4Confident19 Ų1969 Ų6912%0.11739%0.386CS..G310 helixtrans-63.2-25.1-177.959.90000112T397 L611 Y616 L617 I630T397-T614 HydrophobicContact CG2-CG2 4.18Å; L611-T614 PolarHBondContact O-N 3.41Å; L611-T614 PolarHBondContact O-OG1 3.09Å; T614-Y616 PolarHBondContact O-N 3.16Å; T614-L617 HydrophobicContact CG2-CD1 4.48Å; T614-L617 PolarHBondContact O-N 3.36Å; T614-I630 HydrophobicContact CG2-CD1 4.43Å
615N71.1Confident82.4Confident138 Ų13864.9 Ų64.974%0.73836%0.36SS*.G310 helixtrans-70.8-14.7175.2-64.3-20.8000114.1H613H613-N615 PolarHBondContact O-N 3.47Å; H613-N615 VanDerWaalsContact O-N 3.16Å
616Y75.7Confident82.4Confident157 Ų15762.2 Ų62.262%0.61635%0.346SS*.G310 helixtrans-103-0.8178.4-57.8-86.5000112.7S612 H613 T614S612-Y616 WeakPolarHBondContact O-CE2 3.48Å; H613-Y616 PolarHBondContact O-N 3.18Å; T614-Y616 PolarHBondContact O-N 3.16Å
617L79.6Confident82.6Confident22 Ų2263.7 Ų63.712%0.11534%0.344CS..SBendtrans-78.6148.1175.7-67.1171000109.9T614 A621 T622 I630 L655T614-L617 HydrophobicContact CG2-CD1 4.48Å; T614-L617 PolarHBondContact O-N 3.36Å; L617-A621 HydrophobicContact CB-CB 4.34Å; L617-T622 HydrophobicContact CD1-CG2 4.26Å; L617-I630 HydrophobicContact CD1-CB 4.33Å; L617-I630 HydrophobicContact CD1-CD1 3.57Å; L617-I630 HydrophobicContact CD1-CG1 3.59Å; L617-I630 HydrophobicContact CD1-CG2 3.78Å; L617-L655 HydrophobicContact CD2-CD1 4.38Å
618P81.7Confident82.9Confident75 Ų7560.1 Ų60.149%0.48732%0.315SS..  trans-58.2138.6171.125.7-32.6000109.3E620 A621P618-E620 WeakPolarHBondContact CB-OE2 3.43Å; P618-E620 PolarHBondContact O-N 2.77Å; P618-A621 HydrophobicContact CG-CB 4.09Å; P618-A621 VanDerWaalsContact O-CB 3.29Å; P618-A621 WeakPolarHBondContact O-CB 3.23Å; P618-A621 PolarHBondContact O-N 2.72Å
619P80.8Confident83.2Confident94 Ų9459.4 Ų59.461%0.6131%0.311SS*.G310 helixtrans-51.9-35.7-174.4-28.235000113.7A621 T622 D623P619-A621 PolarHBondContact O-N 3.42Å; P619-T622 PolarHBondContact O-N 3.28Å; P619-T622 VanDerWaalsContact O-N 3.08Å; P619-T622 PolarHBondContact O-OG1 3.47Å; P619-D623 WeakPolarHBondContact O-CB 3.45Å; P619-D623 PolarHBondContact O-N 3.28Å
620E85.5Confident83.5Confident133 Ų13359 Ų5962%0.62131%0.308SS*.G310 helixtrans-61.8-26.5179.8-56.680.4-175.200112.7P618 T622 R631P618-E620 WeakPolarHBondContact CB-OE2 3.43Å; P618-E620 PolarHBondContact O-N 2.77Å; E620-T622 VanDerWaalsContact C-N 3.26Å; E620-T622 PolarHBondContact O-N 2.87Å; E620-R631 WeakPolarHBondContact O-CD 3.17Å
621A86.4Confident84Confident14 Ų1463.5 Ų63.512%0.11632%0.323CS..G310 helixtrans-71.3-21.9178.600000112.6L617 P618 P619 I630 R631L617-A621 HydrophobicContact CB-CB 4.34Å; P618-A621 HydrophobicContact CG-CB 4.09Å; P618-A621 VanDerWaalsContact O-CB 3.29Å; P618-A621 WeakPolarHBondContact O-CB 3.23Å; P618-A621 PolarHBondContact O-N 2.72Å; P619-A621 PolarHBondContact O-N 3.42Å; A621-I630 HydrophobicContact CB-CG2 4.24Å; A621-I630 CarbonylContact O-C 3.58Å; A621-R631 PolarHBondContact O-N 3.3Å
622T87.5Confident84.3Confident47 Ų4762.7 Ų62.729%0.28832%0.32SS..THydrogen-bonded Turntrans-121.3-3.7-179.653.90000113L617 P619 E620 K624 L625 I630L617-T622 HydrophobicContact CD1-CG2 4.26Å; P619-T622 PolarHBondContact O-N 3.28Å; P619-T622 VanDerWaalsContact O-N 3.08Å; P619-T622 PolarHBondContact O-OG1 3.47Å; E620-T622 VanDerWaalsContact C-N 3.26Å; E620-T622 PolarHBondContact O-N 2.87Å; T622-K624 PolarHBondContact O-N 3.43Å; T622-L625 PolarHBondContact O-N 3.27Å; T622-L625 VanDerWaalsContact O-N 3.16Å; T622-I630 HydrophobicContact CG2-CG1 4.43Å
623D87.6Confident84.3Confident87 Ų8763.8 Ų63.847%0.46533%0.326SS..THydrogen-bonded Turntrans-61130.8-175.5-173.840.3000112.2P619 L625 R631P619-D623 WeakPolarHBondContact O-CB 3.45Å; P619-D623 PolarHBondContact O-N 3.28Å; D623-L625 PolarHBondContact O-N 3.28Å; D623-R631 PolarHBondContact O-NH2 3.13Å
624K87.9Confident84Confident164 Ų16465.8 Ų65.871%0.71334%0.34SS*.THydrogen-bonded Turntrans54.924.2-176.5-57.1175.2-172.7177.50114.7T622T622-K624 PolarHBondContact O-N 3.43Å
625L92.7Very high83.1Confident25 Ų2568.9 Ų68.913%0.13136%0.359CS..  trans-107.6152.9176.6-68.5174.5000112.2L384 T622 D623 I629 R631L384-L625 HydrophobicContact CD2-CD2 4.32Å; T622-L625 PolarHBondContact O-N 3.27Å; T622-L625 VanDerWaalsContact O-N 3.16Å; D623-L625 PolarHBondContact O-N 3.28Å; L625-I629 HydrophobicContact CB-CB 4.28Å; L625-I629 HydrophobicContact CB-CG2 4.34Å; L625-I629 HydrophobicContact CD1-CG2 4.02Å; L625-I629 HydrophobicContact CD2-CG2 4.39Å; L625-R631 HydrophobicContact CD1-CG 3.46Å; L625-R631 VanDerWaalsContact CD1-CG 3.46Å
626P92.1Very high81.7Confident10 Ų1067 Ų677%0.06535%0.354CS..  trans-59.3150.7172.1-19.129.9000112L384 G444 G628 I629L384-P626 HydrophobicContact CD1-CG 3.89Å; G444-P626 VanDerWaalsContact CA-CB 3.44Å; P626-G628 PolarHBondContact O-N 3.42Å; P626-I629 HydrophobicContact CB-CG1 4.06Å; P626-I629 HydrophobicContact CG-CG1 4.33Å; P626-I629 WeakPolarHBondContact O-CB 3.4Å; P626-I629 WeakPolarHBondContact O-CG1 3.29Å; P626-I629 PolarHBondContact O-N 2.87Å; P626-I629 VanDerWaalsContact O-N 3.09Å
627F91.3Very high80.1Confident117 Ų11768.3 Ų68.351%0.51336%0.358SS..THydrogen-bonded Turntrans-56.4128.2-179.1-175.8-108.2000112.5F399 L611F399-F627 HydrophobicContact CD1-CD1 4.04Å; F399-F627 HydrophobicContact CD1-CE1 4.4Å; F399-F627 AromaticContact CE1-CD1 3.74Å; F399-F627 HydrophobicContact CE1-CD1 3.74Å; F399-F627 HydrophobicContact CE1-CE1 4.3Å; F399-F627 HydrophobicContact CZ-CD1 4.35Å; L611-F627 HydrophobicContact CB-CZ 4.34Å; L611-F627 HydrophobicContact CD1-CD1 4.48Å; L611-F627 HydrophobicContact CD1-CE1 3.33Å; L611-F627 HydrophobicContact CD1-CZ 3.62Å; L611-F627 HydrophobicContact CD2-CD1 4.14Å; L611-F627 HydrophobicContact CD2-CE1 3.48Å; L611-F627 VanDerWaalsContact CD2-CE1 3.48Å; L611-F627 HydrophobicContact CD2-CE2 4.4Å; L611-F627 HydrophobicContact CD2-CZ 3.63Å; L611-F627 HydrophobicContact CG-CE1 3.99Å; L611-F627 HydrophobicContact CG-CZ 4.05Å
628G92.4Very high78Confident5 Ų574.8 Ų74.85%0.05239%0.393CS..THydrogen-bonded Turntrans84.95.2-178.700000115.3T397 A400 P626T397-G628 WeakPolarHBondContact CB-O 3.42Å; T397-G628 WeakPolarHBondContact CG2-O 3.4Å; T397-G628 PolarHBondContact N-O 3.37Å; T397-G628 VanDerWaalsContact OG1-CA 3.27Å; T397-G628 WeakPolarHBondContact OG1-CA 3.44Å; T397-G628 PolarHBondContact OG1-O 3.47Å; A400-G628 VanDerWaalsContact CB-O 3.29Å; A400-G628 WeakPolarHBondContact CB-O 3.16Å; P626-G628 PolarHBondContact O-N 3.42Å
629I94.7Very high75.7Confident4 Ų477.1 Ų77.12%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-98.2138.8169.8-55.7-63.3000109.3F390 H394 L396 A400 L625 P626F390-I629 HydrophobicContact CE1-CD1 4.07Å; F390-I629 HydrophobicContact CE1-CG2 4.13Å; F390-I629 HydrophobicContact CE2-CG2 4.34Å; F390-I629 HydrophobicContact CZ-CB 4.41Å; F390-I629 HydrophobicContact CZ-CD1 4.03Å; F390-I629 HydrophobicContact CZ-CG1 4.09Å; F390-I629 HydrophobicContact CZ-CG2 3.49Å; F390-I629 VanDerWaalsContact CZ-CG2 3.49Å; H394-I629 HydrophobicContact CB-CG2 3.88Å; L396-I629 HydrophobicContact CB-CD1 4.32Å; L396-I629 HydrophobicContact CD2-CD1 3.61Å; L396-I629 HydrophobicContact CG-CD1 3.6Å; A400-I629 HydrophobicContact CB-CD1 3.61Å; A400-I629 HydrophobicContact CB-CG1 4.26Å; L625-I629 HydrophobicContact CB-CB 4.28Å; L625-I629 HydrophobicContact CB-CG2 4.34Å; L625-I629 HydrophobicContact CD1-CG2 4.02Å; L625-I629 HydrophobicContact CD2-CG2 4.39Å; P626-I629 HydrophobicContact CB-CG1 4.06Å; P626-I629 HydrophobicContact CG-CG1 4.33Å; P626-I629 WeakPolarHBondContact O-CB 3.4Å; P626-I629 WeakPolarHBondContact O-CG1 3.29Å; P626-I629 PolarHBondContact O-N 2.87Å; P626-I629 VanDerWaalsContact O-N 3.09Å
630I93.3Very high73.2Confident4 Ų481.4 Ų81.42%0.02142%0.42CS..EExtended strand (participates in β ladder)trans-127.8134.8179.9-56.1159.8000108.7H394 C395 T397 Y517 T614 L617 A621 T622 C632H394-I630 CarbonylContact C-O 3.59Å; H394-I630 VanDerWaalsContact CA-O 3.27Å; H394-I630 WeakPolarHBondContact CA-O 3.42Å; C395-I630 PolarHBondContact N-O 3.25Å; C395-I630 PolarHBondContact O-N 2.82Å; T397-I630 HydrophobicContact CG2-CD1 4.32Å; Y517-I630 HydrophobicContact CD1-CD1 4.23Å; T614-I630 HydrophobicContact CG2-CD1 4.43Å; L617-I630 HydrophobicContact CD1-CB 4.33Å; L617-I630 HydrophobicContact CD1-CD1 3.57Å; L617-I630 HydrophobicContact CD1-CG1 3.59Å; L617-I630 HydrophobicContact CD1-CG2 3.78Å; A621-I630 HydrophobicContact CB-CG2 4.24Å; A621-I630 CarbonylContact O-C 3.58Å; T622-I630 HydrophobicContact CG2-CG1 4.43Å; I630-C632 PolarHBondContact O-N 3.24Å
631R92.4Very high70.6Confident111 Ų11182 Ų8242%0.41943%0.427SS..EExtended strand (participates in β ladder)trans-65.6120.2169.2-64.4-173.6-172.5-104.1-1.4109.2E620 A621 D623 L625E620-R631 WeakPolarHBondContact O-CD 3.17Å; A621-R631 PolarHBondContact O-N 3.3Å; D623-R631 PolarHBondContact O-NH2 3.13Å; L625-R631 HydrophobicContact CD1-CG 3.46Å; L625-R631 VanDerWaalsContact CD1-CG 3.46Å
632C86.1Confident68Low15 Ų1588.4 Ų88.410%0.10146%0.46CS..  trans-144.479.7177.7-176.40000108.4Q393 C395 R515 P524 I630Q393-C632 CarbonylContact C-O 3.6Å; Q393-C632 CarbonylContact O-C 3.22Å; Q393-C632 PolarHBondContact O-N 3.15Å; C395-C632 HydrophobicContact CB-CB 4Å; C395-C632 VanDerWaalsContact SG-CB 3.54Å; R515-C632 PolarHBondContact NH2-O 3.28Å; P524-C632 HydrophobicContact CG-CB 4.33Å; P524-C632 WeakPolarHBondContact CG-SG 3.28Å; I630-C632 PolarHBondContact O-N 3.24Å
633P72.4Confident65.3Low96 Ų9693.7 Ų93.762%0.62349%0.486SS*.PPolyproline II helixtrans-64.3137.7-177.925.6-32.4000111.2
634S64.1Low62.4Low45 Ų4595.6 Ų95.632%0.31550%0.501SS..PPolyproline II helixtrans-64.3132.4171.6-55.10000109.8Q392 P636Q392-S634 PolarHBondContact O-N 3.38Å; Q392-S634 VanDerWaalsContact O-N 3.14Å; Q392-S634 PolarHBondContact O-OG 2.93Å; S634-P636 WeakPolarHBondContact O-CD 3.42Å
635V50.2Low59.5Low83 Ų8394.9 Ų94.950%0.50351%0.505SS..PPolyproline II helixtrans-71.4125.4175.9-176.60000108.8R637 I652V635-R637 PolarHBondContact O-N 3.14Å; V635-I652 HydrophobicContact CG2-CD1 4.28Å
636P42.5Very low56.4Low100 Ų100100.2 Ų100.265%0.64954%0.539SS*.PPolyproline II helixtrans-64.5128.1176.5-18.730.5000111S634 N638S634-P636 WeakPolarHBondContact O-CD 3.42Å; P636-N638 PolarHBondContact O-N 3.1Å
637R40.6Very low53.3Low184 Ų184107 Ų10769%0.69457%0.573SS**G310 helixtrans-61.4-4-178.5-86.2-173.6-172.7176.33.1116.2E526 V635 T639E526-R637 IonicContact OE2-NE 3.75Å; E526-R637 IonicContact OE2-NH2 3.45Å; V635-R637 PolarHBondContact O-N 3.14Å; R637-T639 VanDerWaalsContact C-N 3.33Å; R637-T639 PolarHBondContact O-N 3.16Å
638N36.6Very low50.2Low158 Ų158108.5 Ų108.585%0.84559%0.586SS**G310 helixtrans-84.810.9-171.5-76-1.2000115.9P636P636-N638 PolarHBondContact O-N 3.1Å
639T31.9Very low47.1Very low123 Ų123116 Ų11676%0.75563%0.625SS**G310 helixtrans-109.112.3176.840.30000115.6R637 N641R637-T639 VanDerWaalsContact C-N 3.33Å; R637-T639 PolarHBondContact O-N 3.16Å; T639-N641 VanDerWaalsContact C-N 3.33Å; T639-N641 PolarHBondContact O-N 2.96Å
640M29.3Very low43.8Very low184 Ų184125.1 Ų125.191%0.90667%0.665SS**  trans-90.869.8164-74.3-156.718000111.1N642M640-N642 PolarHBondContact O-N 3.35Å
641N31.7Very low40.7Very low145 Ų145131.2 Ų131.278%0.77569%0.693SS**  trans-73.6108.1163.4-116.9-10.1000108.7T639 N643T639-N641 VanDerWaalsContact C-N 3.33Å; T639-N641 PolarHBondContact O-N 2.96Å; N641-N643 PolarHBondContact O-N 3.36Å
642N30.7Very low37.6Very low150 Ų150131.5 Ų131.580%0.80270%0.702SS**SBendtrans24.359.9150.7-70-15.3000118.7M640M640-N642 PolarHBondContact O-N 3.35Å
643N30.1Very low34.8Very low158 Ų158135.9 Ų135.985%0.84572%0.724SS**  trans-124.991155-82-26.9000108.4N641 N645N641-N643 PolarHBondContact O-N 3.36Å; N643-N645 PolarHBondContact O-N 3.2Å; N643-N645 VanDerWaalsContact O-N 3.14Å
644T27.5Very low32.9Very low127 Ų127135 Ų13578%0.77971%0.714SS**  trans-49.9112.116246.40000109.2
645N27.2Very low31.3Very low149 Ų149136.8 Ų136.880%0.79772%0.719SS**  trans-174.7120.5140.7-89.9-26.5000110.9N643N643-N645 PolarHBondContact O-N 3.2Å; N643-N645 VanDerWaalsContact O-N 3.14Å
646T27.9Very low30.2Very low136 Ų136138.4 Ų138.483%0.83473%0.732SS**  trans60109.515542.30000119.5N648T646-N648 PolarHBondContact O-N 2.91Å
647I26.8Very low29.5Very low153 Ų153138.8 Ų138.879%0.78573%0.728SS**  trans-36.8123.8160.2-61.3159000111.8
648N26.5Very low28.8Very low148 Ų148138.3 Ų138.379%0.79174%0.739SS**  trans-151.6119.7142.9-94.1-29.4000107.2T646 K650T646-N648 PolarHBondContact O-N 2.91Å; N648-K650 VanDerWaalsContact C-N 3.33Å; N648-K650 PolarHBondContact O-N 3.05Å
649N26.5Very low28.2Very low162 Ų162136.8 Ų136.887%0.86674%0.735SS**  trans-52.593.5174-72.2-23.9000109.4Q651N649-Q651 VanDerWaalsContact C-N 3.27Å; N649-Q651 PolarHBondContact O-N 3.25Å
650K25.9Very low27.9Very low196 Ų196136 Ų13685%0.85274%0.735SS**  trans-79.484.6172.2-81.8-175.4176.5178.90108N648 I652N648-K650 VanDerWaalsContact C-N 3.33Å; N648-K650 PolarHBondContact O-N 3.05Å; K650-I652 PolarHBondContact O-N 3.39Å
651Q27.4Very low27.7Very low133 Ų133133.8 Ų133.862%0.62173%0.732SS**  trans-54.9124.6154.4-141.8169.9-0.900106.7N649 N653N649-Q651 VanDerWaalsContact C-N 3.27Å; N649-Q651 PolarHBondContact O-N 3.25Å; Q651-N653 VanDerWaalsContact C-N 3.34Å; Q651-N653 PolarHBondContact O-N 3.06Å
652I28.9Very low27.5Very low116 Ų116132.3 Ų132.360%0.59573%0.733SS**  trans-66.295.1-178.9-61.9170.8000107V635 K650 L654V635-I652 HydrophobicContact CG2-CD1 4.28Å; K650-I652 PolarHBondContact O-N 3.39Å; I652-L654 VanDerWaalsContact C-N 3.31Å; I652-L654 HydrophobicContact CG2-CG 4.42Å; I652-L654 PolarHBondContact O-N 2.9Å
653N26.8Very low27.2Very low107 Ų107129.8 Ų129.857%0.57273%0.727SS**  trans-72.288.1175.7-75-22.9000108.9Q651 L655Q651-N653 VanDerWaalsContact C-N 3.34Å; Q651-N653 PolarHBondContact O-N 3.06Å; N653-L655 PolarHBondContact O-N 2.88Å
654L32Very low26.9Very low78 Ų78130.2 Ų130.241%0.40873%0.727SS.*  trans-68.6108.7154.8-67.2165.5000106.1I652I652-L654 VanDerWaalsContact C-N 3.31Å; I652-L654 HydrophobicContact CG2-CG 4.42Å; I652-L654 PolarHBondContact O-N 2.9Å
655L30.8Very low26.6Very low82 Ų82127.6 Ų127.643%0.42973%0.726SS.*SBendtrans93.8140.2177.7-60.6128.3000116.9L617 N653 N657L617-L655 HydrophobicContact CD2-CD1 4.38Å; N653-L655 PolarHBondContact O-N 2.88Å; L655-N657 PolarHBondContact O-N 3.38Å
656P27.4Very low26.5Very low118 Ų118125.3 Ų125.377%0.76673%0.728SS**  trans-71.2123.7-174.727.5-31.8000111.2L658P656-L658 PolarHBondContact O-N 3.08Å; P656-L658 VanDerWaalsContact O-N 3.15Å
657N26.5Very low26.4Very low107 Ų107123.5 Ų123.557%0.57273%0.727SS**  trans-57.2114.5171.3-80.8-25.7000110.2L655 T659L655-N657 PolarHBondContact O-N 3.38Å; N657-T659 HydrophobicContact CB-CG2 4.17Å; N657-T659 PolarHBondContact O-N 3.42Å
658L25.7Very low26.2Very low175 Ų175122.3 Ų122.392%0.91673%0.726SS**  trans-70.383.4159.1-79.1158.9000107.8P656 S660P656-L658 PolarHBondContact O-N 3.08Å; P656-L658 VanDerWaalsContact O-N 3.15Å; L658-S660 PolarHBondContact O-N 3.2Å
659T25.5Very low26.4Very low126 Ų126122 Ų12277%0.77373%0.73SS**  trans-66.8100.5171.850.20000109.3N657N657-T659 HydrophobicContact CB-CG2 4.17Å; N657-T659 PolarHBondContact O-N 3.42Å
660S25.6Very low27.2Very low106 Ų106120.1 Ų120.174%0.74173%0.727SS**  trans-113.2109.214758.60000105.9L658L658-S660 PolarHBondContact O-N 3.2Å
661T25.3Very low27.3Very low138 Ų138114.6 Ų114.685%0.84773%0.726SS**  trans-173.1124.3153.519.80000109.1S663T661-S663 PolarHBondContact O-N 3.39Å
662S25.6Very low27.1Very low113 Ų113116 Ų11679%0.7974%0.737SS**  trans-52.4120.3171.641.80000112.4
663S24.7Very low27Very low98 Ų98120.4 Ų120.469%0.68575%0.752SS**  trans-38.3157.214536.60000113.2T661T661-S663 PolarHBondContact O-N 3.39Å
664I23.4Very low26.8Very low166 Ų166120.7 Ų120.785%0.85176%0.762SS**  cis-166.7142.32.3-99.6153.6000103.3
665G22.5Very low26.4Very low73 Ų73125.4 Ų125.475%0.75379%0.787SS**  trans-17486.7173.900000116.2
666A24.7Very low26.1Very low101 Ų101129.4 Ų129.484%0.83581%0.807SS**  trans91.9133138.800000122.1
667A26.6Very low25.9Very low98 Ų98128.7 Ų128.781%0.8181%0.805SS**  trans90.687138.800000119.7
668T21.9Very low25.8Very low127 Ų127126.9 Ų126.978%0.77981%0.812SS**  trans-47.6142.5147.343.30000115.5
669T30.3Very low25.7Very low141 Ų141125.7 Ų125.787%0.86581%0.807SS**  -179.3159.8118.922.50000112.6
670P43.7Very low25.8Very low124 Ų124128.6 Ų128.681%0.80581%0.811SS**  trans-111.2163.2-143.941.3-35.3000115.7
671G28.2Very low25.8Very low80 Ų80131.1 Ų131.183%0.82581%0.814SS**  trans-149.683.7169.200000112
672N22.9Very low25.8Very low162 Ų162131.8 Ų131.887%0.86681%0.813SS**  trans-79.8132.7167.7-93-16.9000109.9
673K26.7Very low25.7Very low208 Ų208133 Ų13390%0.90482%0.815SS**  trans-155.8109.6144.1-106.8172-169.5-175.70109.9
674S23.3Very low25.6Very low113 Ų113134.1 Ų134.179%0.7982%0.819SS**  trans-68.4138.4174.5490000112.1
675L23.7Very low25.6Very low178 Ų178137 Ų13793%0.93282%0.82SS**  trans-125.5145.9161.8-117.2113.4000110.4
676I23.3Very low25.7Very low165 Ų165140.1 Ų140.185%0.84682%0.82SS**PPolyproline II helixtrans-87.9138.8-152.7-69.7164.4000111.9
677S23.7Very low25.8Very low103 Ų103142.8 Ų142.872%0.7282%0.82SS**PPolyproline II helixtrans-70.3132.1176.1166.60000112.8
678G24.3Very low25.7Very low69 Ų69143.5 Ų143.571%0.71181%0.814SS**PPolyproline II helixtrans-101.9125.9167.700000111.2
679N24.1Very low25.9Very low151 Ų151144.6 Ų144.681%0.80782%0.816SS**PPolyproline II helixtrans-68.1127.4-177.7-72.6-27.4000112.5
680H27Very low25.8Very low186 Ų186145.1 Ų145.186%0.86181%0.813SS**  trans-120.3130.7158.7-93.9-80.4000110.4
681I26.4Very low25.2Very low160 Ų160144.8 Ų144.882%0.82181%0.811SS**  trans-77.9118.3-171.8-65.6163.9000108.7
682N24.4Very low25.1Very low152 Ų152148.6 Ų148.681%0.81381%0.812SS**  trans-82.1121.4174.6-83.3-20.8000110.6
683T23.6Very low25.2Very low137 Ų137148.8 Ų148.884%0.8481%0.812SS**  trans-95.2105.2161.741.30000109.2
684T23.7Very low25Very low123 Ų123145.1 Ų145.176%0.75581%0.807SS**PPolyproline II helixtrans-75124.1173.734.60000111.4
685Y22.5Very low24.9Very low225 Ų225145.5 Ų145.588%0.88280%0.804SS**PPolyproline II helixtrans-103.6117.8162.8-132.2-94.7000107.7
686N23.5Very low24.7Very low139 Ų139142.9 Ų142.974%0.74380%0.796SS**PPolyproline II helixtrans-83.8118.3178.4-81.9-23.1000109.2
687D28.1Very low24.7Very low158 Ų158141.7 Ų141.785%0.84579%0.79SS**  trans-122.2105.3155.6-100.7-31.4000109
688T25.1Very low24.5Very low112 Ų112142.8 Ų142.869%0.68779%0.793SS**  trans-81.7126.9171.345.50000109.3
689N25.5Very low24.4Very low151 Ų151146.8 Ų146.881%0.80780%0.796SS**  trans147.492.9138.4-74.5-22.7000111.6
690N27.9Very low24.3Very low152 Ų152145.2 Ų145.281%0.81379%0.792SS**  trans-162.1116.9141.1-122.1-20.7000111.1L692N690-L692 PolarHBondContact O-N 2.91Å
691P30.7Very low24.2Very low117 Ų117142.5 Ų142.576%0.7679%0.791SS**  trans-88105179.333.1-27.3000109.8L693P691-L693 PolarHBondContact O-N 3.15Å
692L27.5Very low24.2Very low160 Ų160141.6 Ų141.684%0.83879%0.793SS**  trans-85.1104.4169-83.4155.6000109.4N690 T694N690-L692 PolarHBondContact O-N 2.91Å; L692-T694 PolarHBondContact O-N 3.38Å
693L24.1Very low24.3Very low166 Ų166141 Ų14187%0.86980%0.795SS**  trans-58.3111.9168.7-85.6135.3000110.1P691P691-L693 PolarHBondContact O-N 3.15Å
694T22.1Very low24.3Very low131 Ų131142.4 Ų142.480%0.80480%0.795SS**  trans-97.696.7171.817.30000108.8L692 T696L692-T694 PolarHBondContact O-N 3.38Å; T694-T696 PolarHBondContact O-N 3.22Å
695T21.2Very low24.3Very low120 Ų120144.8 Ų144.874%0.73680%0.803SS**  trans-82110.4173.8-39.50000108.9
696T20.9Very low24.5Very low123 Ų123141.1 Ų141.176%0.75580%0.798SS**  trans-85.8112.8177.4-54.60000108.8T694T694-T696 PolarHBondContact O-N 3.22Å
697I21.3Very low24.6Very low140 Ų140139.5 Ų139.572%0.71880%0.798SS**  trans-100.5115.8175.3-60.8177.1000108.8I699I697-I699 HydrophobicContact CG2-CG1 4.18Å
698T19.9Very low24.4Very low127 Ų127138.6 Ų138.678%0.77979%0.793SS**  trans-89.6114.3177.7-43.60000109.2
699I22.2Very low24.5Very low153 Ų153140.5 Ų140.579%0.78580%0.799SS**PPolyproline II helixtrans-102.4126.6178.2-56.7176.9000109.4I697I697-I699 HydrophobicContact CG2-CG1 4.18Å
700T22.2Very low24.5Very low117 Ų117140.4 Ų140.472%0.71880%0.797SS**PPolyproline II helixtrans-83.7151.3178.641.40000112.2
701P25.4Very low24.4Very low129 Ų129141.6 Ų141.684%0.83880%0.798SS**PPolyproline II helixtrans-83.5126.4-164.64.313.5000112.2
702T27.2Very low24.2Very low142 Ų142144.2 Ų144.287%0.87180%0.799SS**PPolyproline II helixtrans-81.7144.5172.831.70000112.4
703T25.3Very low24.2Very low138 Ų138147.8 Ų147.885%0.84780%0.802SS**PPolyproline II helixtrans-66.7138.2-165.514.90000114.9L705T703-L705 PolarHBondContact O-N 3.44Å
704I24.1Very low24.4Very low167 Ų167147.5 Ų147.586%0.85680%0.801SS**PPolyproline II helixtrans-64.1119.3178.3-62.5163.5000110.3
705L23.9Very low24.5Very low173 Ų173147.2 Ų147.291%0.90680%0.803SS**PPolyproline II helixtrans-88.5126.1169.2-95.1154.6000110.2T703T703-L705 PolarHBondContact O-N 3.44Å
706N25.9Very low24.8Very low148 Ų148150.6 Ų150.679%0.79181%0.81SS**PPolyproline II helixtrans-62.5124.2-170.9-121.4-15.7000113.4N708N706-N708 PolarHBondContact O-N 3.26Å
707S25.6Very low25Very low105 Ų105149 Ų14973%0.73480%0.803SS**  trans-90.388.4176.158.10000111.3
708N25.4Very low25.6Very low139 Ų139148.8 Ų148.874%0.74380%0.804SS**  trans-137.286.6165.5-86.5-22.4000108.1N706N706-N708 PolarHBondContact O-N 3.26Å
709N26.1Very low26.8Very low153 Ų153150.5 Ų150.582%0.81881%0.808SS**  trans176.774156-88.5-26.2000109.4
710I25Very low27.6Very low149 Ų149150 Ų15076%0.76481%0.807SS**  trans-124.490.5165.5-58.9175.8000106.8
711H26.5Very low28.2Very low177 Ų177151.2 Ų151.282%0.81981%0.809SS**  trans-84.3110.6169.6-93.5-63.4000109.2R713H711-R713 PolarHBondContact O-N 3.41Å
712H25.6Very low28.3Very low171 Ų171151.6 Ų151.679%0.79280%0.804SS**  trans-59.1121.1166.8-78.2-88000110.3
713R27.8Very low28.3Very low236 Ų236152.7 Ų152.789%0.89180%0.801SS**  trans-122.8122.8160.6-81.2-167.2-178.6-172.81.9110H711H711-R713 PolarHBondContact O-N 3.41Å
714N28.6Very low28.4Very low159 Ų159154 Ų15485%0.8580%0.802SS**PPolyproline II helixtrans-63.5127.3-179.1-69.9-25.8000111.4
715C24.9Very low28.5Very low126 Ų126157.1 Ų157.185%0.85181%0.805SS**PPolyproline II helixtrans-82.9120.5168.8-63.50000109.2
716Q27.3Very low28.6Very low190 Ų190154 Ų15489%0.88880%0.798SS**PPolyproline II helixtrans-93126.7170.5-102167.8-34.500109.4
717C25.3Very low28.7Very low90 Ų90151.4 Ų151.461%0.60879%0.791SS**PPolyproline II helixtrans-87142169.3-56.30000108.9
718N33.6Very low28.8Very low136 Ų136154.4 Ų154.473%0.72780%0.798SS**PPolyproline II helixtrans-95.5159.5167.2-955000111.1D720 N721N718-D720 PolarHBondContact O-N 3.12Å; N718-N721 PolarHBondContact O-N 3.16Å
719D44.7Very low28.8Very low163 Ų163155 Ų15587%0.87280%0.8SS**THydrogen-bonded Turntrans-58.7-12.3-158.7-68.7-36.4000117.1
720D39.5Very low28.8Very low143 Ų143157.8 Ų157.877%0.76580%0.801SS**THydrogen-bonded Turntrans-95.715175.4-67.1-34.7000113.8N718 N722N718-D720 PolarHBondContact O-N 3.12Å; D720-N722 PolarHBondContact O-N 3.34Å
721N34.3Very low28.8Very low142 Ų142159.9 Ų159.976%0.75981%0.805SS**  trans54.515.3176.2-89.3-22.4000115.7N718 M723N718-N721 PolarHBondContact O-N 3.16Å; N721-M723 PolarHBondContact O-N 3.23Å
722N28.4Very low28.8Very low136 Ų136158.6 Ų158.673%0.72780%0.804SS**  trans-84.4108.8174.7-80-27.1000110.2D720 L724D720-N722 PolarHBondContact O-N 3.34Å; N722-L724 PolarHBondContact O-N 3.29Å; N722-L724 VanDerWaalsContact O-N 3.13Å
723M27.4Very low29.1Very low165 Ų165153.9 Ų153.981%0.81380%0.801SS**  trans-61.2107.1170.6-82.3-93.2-77.200110.3N721 Y725N721-M723 PolarHBondContact O-N 3.23Å; M723-Y725 PolarHBondContact O-N 3.2Å
724L27.5Very low29.1Very low166 Ų166150.3 Ų150.387%0.86980%0.799SS**  trans-75.8117.5168.1-84.5160.1000109.2N722 S726N722-L724 PolarHBondContact O-N 3.29Å; N722-L724 VanDerWaalsContact O-N 3.13Å; L724-S726 PolarHBondContact O-N 2.96Å
725Y25.3Very low29Very low232 Ų232149.7 Ų149.791%0.9180%0.796SS**  trans-47.2116.6-179-80.6-101.1000113.1M723 S727M723-Y725 PolarHBondContact O-N 3.2Å; Y725-S727 PolarHBondContact O-N 3.11Å
726S26.2Very low29.1Very low108 Ų108148.5 Ų148.576%0.75579%0.787SS**  trans-85101.3165.4165.70000109.3L724 L728L724-S726 PolarHBondContact O-N 2.96Å; S726-L728 PolarHBondContact O-N 2.97Å
727S27.3Very low28.9Very low94 Ų94144.1 Ų144.166%0.65778%0.777SS**  trans-57.2113172.253.10000111.9Y725 L729Y725-S727 PolarHBondContact O-N 3.11Å; S727-L729 PolarHBondContact O-N 3.09Å; S727-L729 VanDerWaalsContact O-N 3.09Å
728L27.2Very low28.9Very low167 Ų167149.6 Ų149.687%0.87479%0.787SS**  trans-71.392.5168.5-86.9150.4000109.8S726 Y730S726-L728 PolarHBondContact O-N 2.97Å; L728-Y730 PolarHBondContact O-N 3.42Å
729L25.6Very low28.3Very low152 Ų152154.8 Ų154.880%0.79680%0.796SS**  trans-82.988.6167.9-90152.9000109.3S727 K731S727-L729 PolarHBondContact O-N 3.09Å; S727-L729 VanDerWaalsContact O-N 3.09Å; L729-K731 PolarHBondContact O-N 3.23Å
730Y26Very low27.3Very low211 Ų211151.5 Ų151.583%0.82779%0.786SS**  trans-79.399.9163.2-136.5-96000108L728 N732L728-Y730 PolarHBondContact O-N 3.42Å; Y730-N732 PolarHBondContact O-N 3.28Å; Y730-N732 VanDerWaalsContact O-N 3.11Å
731K25.2Very low26.5Very low194 Ų194152.9 Ų152.984%0.84379%0.793SS**  trans-70.799.4170.9-95-175.6174.7179.30108.7L729L729-K731 PolarHBondContact O-N 3.23Å
732N28Very low26Very low150 Ų150150.8 Ų150.880%0.80279%0.789SS**  trans-146.4114.6149.3-118.9-3000109.4Y730Y730-N732 PolarHBondContact O-N 3.28Å; Y730-N732 VanDerWaalsContact O-N 3.11Å
733G30.5Very low25.8Very low71 Ų71153.5 Ų153.573%0.73280%0.797SS**SBendtrans53.399.8159.800000118.7N735G733-N735 PolarHBondContact O-N 3.16Å; G733-N735 VanDerWaalsContact O-N 3.12Å
734N29.1Very low25.9Very low161 Ų161155 Ų15586%0.86180%0.795SS**SBendtrans19.676.9149.1-65.3-7000118.1
735N26.3Very low25.7Very low147 Ų147154.2 Ų154.279%0.78679%0.792SS**  trans-176112.5133.4-96.9-21.9000108.8G733 S737G733-N735 PolarHBondContact O-N 3.16Å; G733-N735 VanDerWaalsContact O-N 3.12Å; N735-S737 PolarHBondContact O-N 3.38Å; N735-S737 VanDerWaalsContact O-N 3.09Å
736P26.2Very low25.6Very low101 Ų101152.5 Ų152.566%0.65679%0.789SS**  trans-73.4104.7177.829.1-29.5000109Y738P736-Y738 HydrophobicContact CB-CE2 4.37Å; P736-Y738 HydrophobicContact CG-CE2 4.23Å; P736-Y738 WeakPolarHBondContact O-CD2 3.41Å; P736-Y738 PolarHBondContact O-N 2.96Å
737S24Very low25.5Very low98 Ų98152.9 Ų152.969%0.68578%0.782SS**  trans-74.8103.1169.735.40000109.2N735 W739N735-S737 PolarHBondContact O-N 3.38Å; N735-S737 VanDerWaalsContact O-N 3.09Å; S737-W739 PolarHBondContact O-N 3.32Å
738Y23.7Very low25.4Very low205 Ų205155.6 Ų155.680%0.80479%0.788SS**  trans-69.5115170.9-72.6-92.4000109.1P736 S740P736-Y738 HydrophobicContact CB-CE2 4.37Å; P736-Y738 HydrophobicContact CG-CE2 4.23Å; P736-Y738 WeakPolarHBondContact O-CD2 3.41Å; P736-Y738 PolarHBondContact O-N 2.96Å; Y738-S740 PolarHBondContact O-N 2.88Å; Y738-S740 VanDerWaalsContact O-N 3.16Å
739W21.6Very low25.4Very low245 Ų245154.6 Ų154.693%0.92878%0.783SS**  trans-79.491.4168.7-75.361.6000108.2S737S737-W739 PolarHBondContact O-N 3.32Å
740S23.7Very low25.3Very low94 Ų94156.7 Ų156.766%0.65779%0.786SS**  trans-84.2130.9165.558.40000109.4Y738 C742Y738-S740 PolarHBondContact O-N 2.88Å; Y738-S740 VanDerWaalsContact O-N 3.16Å; S740-C742 PolarHBondContact O-N 3.1Å
741N23Very low25.3Very low172 Ų172154.1 Ų154.192%0.9279%0.787SS**  trans-48.596.3172.9-70.7-26.7000111.4
742C24Very low25.4Very low97 Ų97150.5 Ų150.566%0.65578%0.781SS**  trans-93.5115.1169.8-92.50000109.2S740 Y744S740-C742 PolarHBondContact O-N 3.1Å; C742-Y744 WeakPolarHBondContact O-CD2 3.39Å; C742-Y744 PolarHBondContact O-N 3.04Å
743E24Very low25.4Very low193 Ų193151.5 Ų151.590%0.90278%0.78SS**  trans-52.4112.5161.4-73.3172.7141.900108.9D745E743-D745 VanDerWaalsContact C-N 3.3Å; E743-D745 PolarHBondContact O-N 2.7Å
744Y28.6Very low25.4Very low198 Ų198154.8 Ų154.878%0.77678%0.781SS**  trans-76.579.8178.3-90.7-98.8000110.1C742 L747C742-Y744 WeakPolarHBondContact O-CD2 3.39Å; C742-Y744 PolarHBondContact O-N 3.04Å; Y744-L747 HydrophobicContact CD1-CD1 3.93Å; Y744-L747 HydrophobicContact CE1-CD1 3.42Å; Y744-L747 VanDerWaalsContact CE1-CD1 3.42Å
745D23.9Very low25.3Very low149 Ų149153.2 Ų153.280%0.79777%0.773SS**SBendtrans-126.4122.2150.2-95.7-31.7000107.1E743E743-D745 VanDerWaalsContact C-N 3.3Å; E743-D745 PolarHBondContact O-N 2.7Å
746K24.1Very low25.6Very low195 Ų195152.4 Ų152.485%0.84877%0.768SS**  trans82.370.9178-49.5175.9-177.8177.30116.8
747L24.4Very low26Very low116 Ų116154.9 Ų154.961%0.60778%0.776SS**  trans-9485.3148.3-108.1139.8000108.6Y744 L749Y744-L747 HydrophobicContact CD1-CD1 3.93Å; Y744-L747 HydrophobicContact CE1-CD1 3.42Å; Y744-L747 VanDerWaalsContact CE1-CD1 3.42Å; L747-L749 HydrophobicContact CD2-CD1 4.31Å; L747-L749 HydrophobicContact CD2-CD2 4.41Å; L747-L749 HydrophobicContact CD2-CG 3.98Å; L747-L749 PolarHBondContact O-N 3.18Å
748L24.2Very low26.4Very low152 Ų152156.2 Ų156.280%0.79678%0.775SS**  trans-75.293.6159.5-83.1159000106.8F750L748-F750 PolarHBondContact O-N 3.09Å
749L27.1Very low26.7Very low146 Ų146152.2 Ų152.276%0.76477%0.768SS**  trans-74.5107.2171-87.4155.3000108.6L747 N751L747-L749 HydrophobicContact CD2-CD1 4.31Å; L747-L749 HydrophobicContact CD2-CD2 4.41Å; L747-L749 HydrophobicContact CD2-CG 3.98Å; L747-L749 PolarHBondContact O-N 3.18Å; L749-N751 PolarHBondContact O-N 3.42Å; L749-N751 VanDerWaalsContact O-N 3.1Å
750F24Very low27.2Very low195 Ų195148.5 Ų148.586%0.85577%0.766SS**  trans-55108.9160-89-92.3000108.4L748 T752L748-F750 PolarHBondContact O-N 3.09Å; F750-T752 PolarHBondContact O-N 3.09Å
751N25.4Very low27.4Very low158 Ų158150 Ų15085%0.84577%0.772SS**  trans-81.194.6172.4-146.810.4000107L749 H753L749-N751 PolarHBondContact O-N 3.42Å; L749-N751 VanDerWaalsContact O-N 3.1Å; N751-H753 PolarHBondContact O-N 3.28Å; N751-H753 VanDerWaalsContact O-N 3.11Å
752T27.6Very low27.7Very low117 Ų117148 Ų14872%0.71877%0.766SS**  trans-68.2106.6170.547.30000108.1F750 N754F750-T752 PolarHBondContact O-N 3.09Å; T752-N754 PolarHBondContact O-N 3.11Å
753H27.9Very low27.9Very low172 Ų172150.8 Ų150.880%0.79677%0.774SS**  trans-53.7102.9167.5-101.7-65.2000109.5N751 N755N751-H753 PolarHBondContact O-N 3.28Å; N751-H753 VanDerWaalsContact O-N 3.11Å; H753-N755 VanDerWaalsContact C-N 3.33Å; H753-N755 PolarHBondContact O-N 3.12Å; H753-N755 VanDerWaalsContact O-N 3.09Å
754N29.9Very low28.2Very low140 Ų140150.1 Ų150.175%0.74977%0.771SS**  trans-72.993.1161.5-96.4-6.7000107.8T752 N756T752-N754 PolarHBondContact O-N 3.11Å; N754-N756 PolarHBondContact O-N 3.45Å
755N28.6Very low28.3Very low127 Ų127149.3 Ų149.368%0.67977%0.774SS**  trans-74.191.6161.7-76.6-12.1000108H753 D757H753-N755 VanDerWaalsContact C-N 3.33Å; H753-N755 PolarHBondContact O-N 3.12Å; H753-N755 VanDerWaalsContact O-N 3.09Å; N755-D757 VanDerWaalsContact C-N 3.34Å; N755-D757 PolarHBondContact O-N 3.42Å
756N31.4Very low28.4Very low130 Ų130150.5 Ų150.570%0.69577%0.774SS**  trans-88.980160.3-79.4-3.5000107.9N754 D758N754-N756 PolarHBondContact O-N 3.45Å; N756-D758 PolarHBondContact O-N 3.39Å
757D34Very low28.8Very low154 Ų154147.1 Ų147.182%0.82477%0.772SS**  trans-86.988.1160.1-80.7-35.4000107.5N755N755-D757 VanDerWaalsContact C-N 3.34Å; N755-D757 PolarHBondContact O-N 3.42Å
758D32.9Very low28.9Very low125 Ų125148.7 Ų148.767%0.66878%0.781SS**  trans-78.8119.3174.3-95.8-43.8000110.7N756N756-D758 PolarHBondContact O-N 3.39Å
759N30.7Very low29.2Very low122 Ų122150.1 Ų150.165%0.65278%0.784SS**  trans68.781.6138.4-56.6-42.1000118.5
760N31.2Very low29.3Very low166 Ų166151.7 Ų151.789%0.88879%0.787SS**  trans-108.796.9142.2-99.7-22.7000109.6T762N760-T762 PolarHBondContact O-N 3.12Å
761T28.3Very low29.5Very low126 Ų126147 Ų14777%0.77378%0.779SS**  trans-69.2108.7171.343.10000110.6
762T30.6Very low29.7Very low130 Ų130147.4 Ų147.480%0.79878%0.781SS**  trans-127.7106.715940.10000109.7N760 H764N760-T762 PolarHBondContact O-N 3.12Å; T762-H764 PolarHBondContact O-N 2.98Å
763N26.1Very low29.7Very low155 Ų155148.4 Ų148.483%0.82978%0.782SS**  trans-56.2120.2172.5-72.2-40.1000111.2
764H31.5Very low29.7Very low180 Ų180147.5 Ų147.583%0.83378%0.783SS**  trans-146.4117.3151.3-87.7-58.3000111.7T762T762-H764 PolarHBondContact O-N 2.98Å
765H30.7Very low29.8Very low180 Ų180146.4 Ų146.483%0.83379%0.786SS**  trans4.5120.2163.4-73.6-63.6000121.1
766H24.8Very low29.8Very low175 Ų175148.4 Ų148.481%0.8180%0.797SS**  trans-57143.9153.5-78.7-79.6000113.2
767P33.7Very low29.7Very low124 Ų124146.3 Ų146.381%0.80579%0.792SS**  -124.1144.5123.132.1-21.2000111.9
768N26.7Very low29.5Very low148 Ų148148.5 Ų148.579%0.79180%0.795SS**  trans-71.6147.2179.9-62.4-42.6000112.3
769E30.1Very low29.3Very low183 Ų183150.9 Ų150.986%0.85580%0.801SS**  trans-177.998.7141.8-102.7167.9-16300107.6
770E29.8Very low29.2Very low179 Ų179156.3 Ų156.384%0.83683%0.829SS**  72.892.5104.3-77.6-165.9169.300115.4
771S27.1Very low29.1Very low96 Ų96155.8 Ų155.867%0.67183%0.826SS**  trans30.5114.6130.658.20000118.7
772N29.9Very low29.1Very low167 Ų167157.4 Ų157.489%0.89383%0.829SS**  trans-145.2121.5132.1-112.9-26.8000113.1
773N27.7Very low29Very low137 Ų137158.9 Ų158.973%0.73383%0.83SS**  trans-61139.5173.3-70.7-47.5000111.5
774N28.3Very low29.2Very low154 Ų154159.1 Ų159.182%0.82483%0.831SS**  trans147.5109.8131.8-81.9-25.8000109.9
775S31.8Very low29Very low116 Ų116157.8 Ų157.881%0.81183%0.83SS**  168.5127.9104.546.20000109.6S777S775-S777 PolarHBondContact O-N 3.35Å; S775-S777 VanDerWaalsContact O-N 3.07Å
776N28.6Very low28.9Very low169 Ų169156.3 Ų156.390%0.90483%0.83SS**  trans-59.5101.2175.3-68.7-49.7000110.8
777S29.3Very low29.2Very low87 Ų87155 Ų15561%0.60883%0.832SS**  trans-97.197.7155.262.40000108.2S775 H779S775-S777 PolarHBondContact O-N 3.35Å; S775-S777 VanDerWaalsContact O-N 3.07Å; S777-H779 PolarHBondContact O-N 3.07Å
778K30Very low28.9Very low200 Ų200157.4 Ų157.487%0.8783%0.834SS**  trans-57.2104.9163.9-74.1178.7176178.50107.3L780K778-L780 PolarHBondContact O-N 3.41Å; K778-L780 VanDerWaalsContact O-N 3.12Å
779H28.9Very low29.1Very low174 Ų174158.2 Ų158.281%0.80684%0.837SS**  trans-63.4107.6167.7-82.1-82.4000107.9S777S777-H779 PolarHBondContact O-N 3.07Å
780L27.3Very low29Very low236 Ų236155.9 Ų155.9100%1.23684%0.836SS**  trans-56.90143.5-90.4115.5000108.8K778K778-L780 PolarHBondContact O-N 3.41Å; K778-L780 VanDerWaalsContact O-N 3.12Å

Retrieved 780 of 780 residues in 344 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).