A0A087X5L1_POEFO Loading...

Adenylate kinase isoenzyme 5

Nucleoside monophosphate (NMP) kinase that catalyzes the reversible transfer of the terminal phosphate group between nucleoside triphosphates and monophosphates. Active on AMP and dAMP with ATP as a donor. When GTP is used as phosphate donor, the enzyme phosphorylates AMP, CMP, and to a small extent dCMP. Also displays broad nucleoside diphosphate kinase activity.

AlphaFold DB , UniProt , Accession A0A087X5L1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 560 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
1M59.7Low78.2Confident194 Ų194103.6 Ų103.696%0.95655%0.547SS*.  0110.70-85.2-176.8160.600107.4D5M1-D5 WeakPolarHBondContact CA-OD2 3.45Å; M1-D5 HydrophobicContact CG-CB 4.49Å
2N77.3Confident78.7Confident96 Ų96109.9 Ų109.951%0.51356%0.557SS.*  trans-74161.7168.7-170.63.7000109N4 D5 A6N2-N4 PolarHBondContact O-N 3.45Å; N2-D5 PolarHBondContact N-OD2 2.8Å; N2-D5 WeakPolarHBondContact O-CB 3.38Å; N2-D5 PolarHBondContact O-N 3.08Å; N2-A6 PolarHBondContact O-N 2.98Å
3T71Confident79Confident109 Ų109112.8 Ų112.867%0.66956%0.557SS**Hα-helixtrans-56.7-31.9178.451.10000112.4A6 K7T3-A6 PolarHBondContact O-N 2.97Å; T3-K7 PolarHBondContact O-N 3.49Å; T3-K7 VanDerWaalsContact O-N 3.09Å
4N78Confident79.4Confident107 Ų107109 Ų10957%0.57254%0.537SS*.Hα-helixtrans-67.3-39.5174.2-70.5-23.7000112.9N2 A6 K7 E8N2-N4 PolarHBondContact O-N 3.45Å; N4-A6 VanDerWaalsContact C-N 3.3Å; N4-A6 PolarHBondContact O-N 3.14Å; N4-K7 PolarHBondContact O-N 3.18Å; N4-E8 WeakPolarHBondContact O-CB 3.42Å; N4-E8 PolarHBondContact O-N 3.07Å
5D81.1Confident79.9Confident77 Ų77104.1 Ų104.141%0.41251%0.513SS..Hα-helixtrans-65.2-37.2177.6-52.5-24.4000111M1 N2 Y9M1-D5 WeakPolarHBondContact CA-OD2 3.45Å; M1-D5 HydrophobicContact CG-CB 4.49Å; N2-D5 PolarHBondContact N-OD2 2.8Å; N2-D5 WeakPolarHBondContact O-CB 3.38Å; N2-D5 PolarHBondContact O-N 3.08Å; D5-Y9 VanDerWaalsContact O-CB 3.25Å; D5-Y9 WeakPolarHBondContact O-CB 3.48Å; D5-Y9 PolarHBondContact O-N 3.49Å
6A76Confident80.3Confident41 Ų41102.4 Ų102.434%0.33951%0.513SS..Hα-helixtrans-68.2-43.117700000111.6N2 T3 N4 E8 Y9 L10N2-A6 PolarHBondContact O-N 2.98Å; T3-A6 PolarHBondContact O-N 2.97Å; N4-A6 VanDerWaalsContact C-N 3.3Å; N4-A6 PolarHBondContact O-N 3.14Å; A6-E8 VanDerWaalsContact C-N 3.35Å; A6-Y9 PolarHBondContact O-N 3.48Å; A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.4Å; A6-L10 PolarHBondContact O-N 3.37Å
7K79.9Confident80.6Confident158 Ų158100.4 Ų100.469%0.68750%0.501SS*.Hα-helixtrans-63.6-41.9176.7-168.9176.2-178.71790111.4T3 N4 L10 A11T3-K7 PolarHBondContact O-N 3.49Å; T3-K7 VanDerWaalsContact O-N 3.09Å; N4-K7 PolarHBondContact O-N 3.18Å; K7-L10 PolarHBondContact O-N 3.11Å; K7-A11 WeakPolarHBondContact O-CB 2.98Å; K7-A11 PolarHBondContact O-N 3.36Å
8E84.4Confident81Confident93 Ų9395.9 Ų95.944%0.43548%0.479SS..Hα-helixtrans-66.9-39.9176.4-171.2173-172.600112N4 A6 A11 R12N4-E8 WeakPolarHBondContact O-CB 3.42Å; N4-E8 PolarHBondContact O-N 3.07Å; A6-E8 VanDerWaalsContact C-N 3.35Å; E8-A11 PolarHBondContact O-N 3.49Å; E8-R12 HydrophobicContact CG-CG 4.26Å; E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.24Å; E8-R12 VanDerWaalsContact O-CG 3.25Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 IonicContact OE1-CZ 3.97Å; E8-R12 IonicContact OE1-NE 2.77Å; E8-R12 PolarHBondContact OE1-NE 2.57Å; E8-R12 IonicContact OE1-NH2 3.86Å; E8-R12 PolarHBondContact OE1-NH2 3.04Å
9Y84.5Confident81.5Confident122 Ų12297.3 Ų97.348%0.47848%0.482SS..Hα-helixtrans-60.8-45.6174.4176.8-93.4000112.5D5 A6 R13 I15D5-Y9 VanDerWaalsContact O-CB 3.25Å; D5-Y9 WeakPolarHBondContact O-CB 3.48Å; D5-Y9 PolarHBondContact O-N 3.49Å; A6-Y9 PolarHBondContact O-N 3.48Å; Y9-R13 HydrophobicContact CE2-CG 4.33Å; Y9-R13 WeakPolarHBondContact O-CB 3.45Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 3.26Å; Y9-I15 HydrophobicContact CD1-CD1 4.19Å; Y9-I15 HydrophobicContact CE1-CD1 3.7Å
10L85.4Confident81.8Confident76 Ų7697.7 Ų97.740%0.39848%0.483SS..Hα-helixtrans-64.2-42.8178.9-70.8172000112A6 K7 E14 I15 P16A6-L10 VanDerWaalsContact O-CG 3.3Å; A6-L10 WeakPolarHBondContact O-CG 3.4Å; A6-L10 PolarHBondContact O-N 3.37Å; K7-L10 PolarHBondContact O-N 3.11Å; L10-E14 PolarHBondContact O-N 3.25Å; L10-I15 HydrophobicContact CD2-CB 3.93Å; L10-I15 HydrophobicContact CD2-CD1 3.81Å; L10-I15 HydrophobicContact CD2-CG1 4.46Å; L10-I15 HydrophobicContact CD2-CG2 3.78Å; L10-I15 PolarHBondContact O-N 3.01Å; L10-P16 WeakPolarHBondContact O-CD 3.27Å
11A82.9Confident82.2Confident67 Ų6793 Ų9355%0.55446%0.46SS*.Hα-helixtrans-67.2-47.6178.400000111.8K7 E8 R13 E14K7-A11 WeakPolarHBondContact O-CB 2.98Å; K7-A11 PolarHBondContact O-N 3.36Å; E8-A11 PolarHBondContact O-N 3.49Å; A11-R13 PolarHBondContact O-N 3.06Å; A11-E14 PolarHBondContact O-N 2.86Å; A11-E14 VanDerWaalsContact O-N 3.14Å
12R83.9Confident83.7Confident179 Ų17984.2 Ų84.268%0.67542%0.416SS*.Hα-helixtrans-62.8-23.5179.9-76.4179.9178.7-157.6-0.7114E8E8-R12 HydrophobicContact CG-CG 4.26Å; E8-R12 VanDerWaalsContact O-CB 3.29Å; E8-R12 WeakPolarHBondContact O-CB 3.24Å; E8-R12 VanDerWaalsContact O-CG 3.25Å; E8-R12 WeakPolarHBondContact O-CG 3.45Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 IonicContact OE1-CZ 3.97Å; E8-R12 IonicContact OE1-NE 2.77Å; E8-R12 PolarHBondContact OE1-NE 2.57Å; E8-R12 IonicContact OE1-NH2 3.86Å; E8-R12 PolarHBondContact OE1-NH2 3.04Å
13R82.4Confident84.3Confident147 Ų14784.2 Ų84.256%0.55542%0.416SS*.THydrogen-bonded Turntrans-101.93-179.7-67.6-65-167.3-174.70.6113.2Y9 A11 I15 T51Y9-R13 HydrophobicContact CE2-CG 4.33Å; Y9-R13 WeakPolarHBondContact O-CB 3.45Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 3.26Å; A11-R13 PolarHBondContact O-N 3.06Å; R13-I15 HydrophobicContact CB-CD1 3.71Å; R13-I15 HydrophobicContact CB-CG1 3.67Å; R13-I15 HydrophobicContact CG-CD1 4.44Å; R13-I15 PolarHBondContact O-N 3.47Å; R13-I15 VanDerWaalsContact O-N 3.08Å; R13-T51 WeakPolarHBondContact O-CB 3.37Å; R13-T51 PolarHBondContact O-OG1 3.25Å
14E85.6Confident85.1Confident60 Ų6080.8 Ų80.828%0.2840%0.395SS..THydrogen-bonded Turntrans49.733.3-175.9-60.4-169.2-177.500113L10 A11 Q17 L18 E52L10-E14 PolarHBondContact O-N 3.25Å; A11-E14 PolarHBondContact O-N 2.86Å; A11-E14 VanDerWaalsContact O-N 3.14Å; E14-Q17 HydrophobicContact CB-CB 4.41Å; E14-Q17 PolarHBondContact O-N 3.3Å; E14-Q17 PolarHBondContact OE2-OE1 3.47Å; E14-L18 PolarHBondContact O-N 3.5Å; E14-L18 VanDerWaalsContact O-N 3.08Å; E14-E52 VanDerWaalsContact OE2-CA 3.28Å; E14-E52 WeakPolarHBondContact OE2-CA 3.49Å
15I85.6Confident85.6Confident35 Ų3575.7 Ų75.718%0.17937%0.368CS..Hα-helixtrans-60.8-41.6-177.2-70.6168.5000111.5Y9 L10 R13 Q17 L18 F19Y9-I15 HydrophobicContact CD1-CD1 4.19Å; Y9-I15 HydrophobicContact CE1-CD1 3.7Å; L10-I15 HydrophobicContact CD2-CB 3.93Å; L10-I15 HydrophobicContact CD2-CD1 3.81Å; L10-I15 HydrophobicContact CD2-CG1 4.46Å; L10-I15 HydrophobicContact CD2-CG2 3.78Å; L10-I15 PolarHBondContact O-N 3.01Å; R13-I15 HydrophobicContact CB-CD1 3.71Å; R13-I15 HydrophobicContact CB-CG1 3.67Å; R13-I15 HydrophobicContact CG-CD1 4.44Å; R13-I15 PolarHBondContact O-N 3.47Å; R13-I15 VanDerWaalsContact O-N 3.08Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.82Å; I15-L18 WeakPolarHBondContact O-CB 3.16Å; I15-L18 PolarHBondContact O-N 2.74Å; I15-F19 HydrophobicContact CG2-CD2 3.64Å; I15-F19 HydrophobicContact CG2-CE2 3.48Å; I15-F19 VanDerWaalsContact CG2-CE2 3.48Å; I15-F19 VanDerWaalsContact O-CD2 3.24Å; I15-F19 WeakPolarHBondContact O-CD2 3.39Å; I15-F19 PolarHBondContact O-N 2.99Å; I15-F19 VanDerWaalsContact O-N 3.12Å
16P86.9Confident85.9Confident77 Ų7773.6 Ų73.650%0.536%0.356SS..Hα-helixtrans-58.2-43.2175.9-26.536.3000113.5L10 F19 E20L10-P16 WeakPolarHBondContact O-CD 3.27Å; P16-F19 PolarHBondContact O-N 2.91Å; P16-E20 PolarHBondContact O-N 2.74Å
17Q85.6Confident86.4Confident69 Ų6978.4 Ų78.432%0.32237%0.373SS..Hα-helixtrans-68.6-35.6-178.8-177.6172.3-18.700112.2E14 I15 S21 V54E14-Q17 HydrophobicContact CB-CB 4.41Å; E14-Q17 PolarHBondContact O-N 3.3Å; E14-Q17 PolarHBondContact OE2-OE1 3.47Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 2.82Å; Q17-S21 PolarHBondContact O-N 2.78Å; Q17-S21 VanDerWaalsContact O-N 3.1Å; Q17-V54 WeakPolarHBondContact CG-O 3.28Å; Q17-V54 PolarHBondContact NE2-O 3.39Å
18L88.7Confident86.7Confident20 Ų2077.4 Ų77.411%0.10537%0.366CS..Hα-helixtrans-58.6-51.4169.9173.865.7000111.2E14 I15 E20 S21 L22 L42 V45 T51E14-L18 PolarHBondContact O-N 3.5Å; E14-L18 VanDerWaalsContact O-N 3.08Å; I15-L18 WeakPolarHBondContact O-CB 3.16Å; I15-L18 PolarHBondContact O-N 2.74Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.2Å; L18-S21 PolarHBondContact O-N 2.9Å; L18-L22 HydrophobicContact CD1-CD1 4.05Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 3.98Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.48Å; L18-L42 HydrophobicContact CD1-CD2 4.37Å; L18-L42 HydrophobicContact CD2-CD2 4.16Å; L18-V45 HydrophobicContact CD1-CB 4.41Å; L18-V45 HydrophobicContact CD1-CG1 4.11Å; L18-V45 HydrophobicContact CD1-CG2 3.67Å; L18-T51 HydrophobicContact CB-CG2 4.08Å; L18-T51 HydrophobicContact CD1-CG2 4.27Å; L18-T51 HydrophobicContact CD2-CG2 3.72Å; L18-T51 HydrophobicContact CG-CG2 4.23Å
19F89.7Confident86.7Confident121 Ų12178.6 Ų78.653%0.53137%0.367SS..Hα-helixtrans-63.6-40.3-178.8-83-68.8000112.2I15 P16 S21 L22 L23I15-F19 HydrophobicContact CG2-CD2 3.64Å; I15-F19 HydrophobicContact CG2-CE2 3.48Å; I15-F19 VanDerWaalsContact CG2-CE2 3.48Å; I15-F19 VanDerWaalsContact O-CD2 3.24Å; I15-F19 WeakPolarHBondContact O-CD2 3.39Å; I15-F19 PolarHBondContact O-N 2.99Å; I15-F19 VanDerWaalsContact O-N 3.12Å; P16-F19 PolarHBondContact O-N 2.91Å; F19-S21 VanDerWaalsContact C-N 3.34Å; F19-S21 PolarHBondContact O-N 3.46Å; F19-L22 PolarHBondContact O-N 3.34Å; F19-L23 WeakPolarHBondContact O-CB 3.22Å; F19-L23 WeakPolarHBondContact O-CG 3.43Å; F19-L23 PolarHBondContact O-N 3.19Å
20E88.3Confident86.8Confident106 Ų10682.4 Ų82.450%0.49538%0.381SS..Hα-helixtrans-58.3-45.7175.6-172.1179.9178.200111.8P16 L18 L23 T24 W56P16-E20 PolarHBondContact O-N 2.74Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.2Å; E20-L23 PolarHBondContact O-N 2.77Å; E20-T24 WeakPolarHBondContact O-CB 3.34Å; E20-T24 PolarHBondContact O-N 2.94Å; E20-T24 PolarHBondContact O-OG1 3.35Å; E20-W56 HydrophobicContact CG-CB 4.44Å
21S89.1Confident86.9Confident0 Ų080.6 Ų80.60%037%0.374CS..Hα-helixtrans-63.9-43.7178-165.90000112.9Q17 L18 F19 T24 G25 V54 R55 F59Q17-S21 PolarHBondContact O-N 2.78Å; Q17-S21 VanDerWaalsContact O-N 3.1Å; L18-S21 PolarHBondContact O-N 2.9Å; F19-S21 VanDerWaalsContact C-N 3.34Å; F19-S21 PolarHBondContact O-N 3.46Å; S21-T24 PolarHBondContact O-N 3.41Å; S21-G25 PolarHBondContact O-N 3.32Å; S21-V54 VanDerWaalsContact OG-CG1 3.3Å; S21-V54 WeakPolarHBondContact OG-CG1 3.22Å; S21-R55 VanDerWaalsContact CB-O 3.27Å; S21-R55 WeakPolarHBondContact CB-O 3.41Å; S21-R55 PolarHBondContact OG-O 3.33Å; S21-F59 VanDerWaalsContact OG-CD2 3.22Å; S21-F59 WeakPolarHBondContact OG-CD2 3.46Å
22L91.6Very high86.9Confident8 Ų885.8 Ų85.84%0.04239%0.393CS..Hα-helixtrans-63.7-44.8178-69.5174.8000112.1L18 F19 T24 G25 L26 L38 C41 L42 F59L18-L22 HydrophobicContact CD1-CD1 4.05Å; L18-L22 HydrophobicContact CD1-CG 4.23Å; L18-L22 HydrophobicContact CG-CD1 3.98Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.39Å; L18-L22 PolarHBondContact O-N 3.48Å; F19-L22 PolarHBondContact O-N 3.34Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-G25 PolarHBondContact O-N 2.94Å; L22-L26 PolarHBondContact O-N 3.45Å; L22-L38 HydrophobicContact CB-CD2 3.78Å; L22-L38 HydrophobicContact CD1-CD2 4.42Å; L22-L38 HydrophobicContact CD2-CD2 4.17Å; L22-L38 HydrophobicContact CG-CD2 4.34Å; L22-C41 HydrophobicContact CD2-CB 3.21Å; L22-L42 HydrophobicContact CD1-CD2 3.84Å; L22-L42 HydrophobicContact CD1-CG 4.29Å; L22-F59 HydrophobicContact CD2-CD2 4.36Å; L22-F59 HydrophobicContact CD2-CE2 3.85Å; L22-F59 HydrophobicContact CD2-CZ 4.3Å
23L89.6Confident87.3Confident97 Ų9781.6 Ų81.651%0.50838%0.383SS..Hα-helixtrans-64.3-40.6177-72.5168.8000111.2F19 E20 G25 L26 M27F19-L23 WeakPolarHBondContact O-CB 3.22Å; F19-L23 WeakPolarHBondContact O-CG 3.43Å; F19-L23 PolarHBondContact O-N 3.19Å; E20-L23 PolarHBondContact O-N 2.77Å; L23-G25 PolarHBondContact O-N 2.8Å; L23-L26 PolarHBondContact O-N 3.47Å; L23-M27 WeakPolarHBondContact O-CB 3.44Å; L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.32Å; L23-M27 PolarHBondContact O-N 2.85Å
24T88Confident87.6Confident37 Ų3777.6 Ų77.623%0.22738%0.376CS..Hα-helixtrans-61.5-43.8177.2-56.20000111.1E20 S21 L22 M27 Y28 W56 V60E20-T24 WeakPolarHBondContact O-CB 3.34Å; E20-T24 PolarHBondContact O-N 2.94Å; E20-T24 PolarHBondContact O-OG1 3.35Å; S21-T24 PolarHBondContact O-N 3.41Å; L22-T24 VanDerWaalsContact C-N 3.34Å; T24-M27 PolarHBondContact O-N 3.49Å; T24-Y28 WeakPolarHBondContact O-CB 3.49Å; T24-Y28 PolarHBondContact O-N 2.92Å; T24-W56 HydrophobicContact CG2-CE3 4.29Å; T24-V60 HydrophobicContact CG2-CG2 3.65Å
25G87.7Confident87.9Confident0 Ų080.7 Ų80.70%039%0.394CS..Hα-helixtrans-62-45.8174.600000113.3S21 L22 L23 M27 Y28 Y29 Y37S21-G25 PolarHBondContact O-N 3.32Å; L22-G25 PolarHBondContact O-N 2.94Å; L23-G25 PolarHBondContact O-N 2.8Å; G25-M27 PolarHBondContact O-N 2.89Å; G25-Y28 PolarHBondContact O-N 3.39Å; G25-Y29 PolarHBondContact O-N 3.02Å; G25-Y37 WeakPolarHBondContact CA-OH 3.39Å; G25-Y37 PolarHBondContact O-OH 3.18Å
26L87.9Confident88.2Confident32 Ų3284 Ų8417%0.16841%0.412CS..Hα-helixtrans-58.6-45.8176.4-86.4175.7000112.3L22 L23 Y28 R30 P31 P34 Y37 L38L22-L26 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 3.47Å; L26-Y28 VanDerWaalsContact C-N 3.33Å; L26-R30 WeakPolarHBondContact O-CA 3.5Å; L26-R30 PolarHBondContact O-N 2.7Å; L26-P31 HydrophobicContact CD2-CG 3.83Å; L26-P34 HydrophobicContact CD2-CB 3.74Å; L26-Y37 HydrophobicContact CD2-CD1 3.55Å; L26-Y37 HydrophobicContact CD2-CE1 4.15Å; L26-Y37 HydrophobicContact CD2-CG 4.35Å; L26-Y37 HydrophobicContact CG-CD1 3.94Å; L26-Y37 HydrophobicContact CG-CE1 4.14Å; L26-L38 HydrophobicContact CD1-CD1 3.85Å; L26-L38 HydrophobicContact CD1-CD2 3.59Å; L26-L38 HydrophobicContact CD1-CG 3.74Å; L26-L38 HydrophobicContact CD2-CG 4.32Å; L26-L38 HydrophobicContact CG-CD2 3.94Å; L26-L38 HydrophobicContact CG-CG 4.16Å
27M86.3Confident88.4Confident142 Ų14282.7 Ų82.770%0.740%0.397SS*.Hα-helixtrans-66.9-35.8179.7-73-178.865.500112.3L23 T24 G25 R30L23-M27 WeakPolarHBondContact O-CB 3.44Å; L23-M27 VanDerWaalsContact O-CG 3.32Å; L23-M27 WeakPolarHBondContact O-CG 3.32Å; L23-M27 PolarHBondContact O-N 2.85Å; T24-M27 PolarHBondContact O-N 3.49Å; G25-M27 PolarHBondContact O-N 2.89Å; M27-R30 WeakPolarHBondContact O-CG 3.47Å
28Y86.3Confident88.7Confident137 Ų13781.9 Ų81.954%0.53740%0.395SS..Hα-helixtrans-73.1-49.4-178.5-171.8-88.4000112.3T24 G25 L26 V60T24-Y28 WeakPolarHBondContact O-CB 3.49Å; T24-Y28 PolarHBondContact O-N 2.92Å; G25-Y28 PolarHBondContact O-N 3.39Å; L26-Y28 VanDerWaalsContact C-N 3.33Å; Y28-V60 HydrophobicContact CD1-CG1 4.32Å; Y28-V60 HydrophobicContact CD2-CG1 3.71Å; Y28-V60 HydrophobicContact CE1-CG1 4.32Å; Y28-V60 HydrophobicContact CE2-CG1 3.72Å; Y28-V60 HydrophobicContact CG-CG1 4.02Å; Y28-V60 HydrophobicContact CG-CG2 4.37Å
29Y85Confident88.8Confident118 Ų11885.5 Ų85.546%0.46341%0.411SS..Hα-helixtrans-89.7-21.1-174.1-73.6-78.4000114.2G25 Y37 F59 G61G25-Y29 PolarHBondContact O-N 3.02Å; Y29-Y37 WeakPolarHBondContact CD2-OH 3.44Å; Y29-F59 WeakPolarHBondContact CE2-O 3.38Å; Y29-G61 PolarHBondContact OH-N 2.79Å
30R86.9Confident88.8Confident202 Ų20281.6 Ų81.676%0.76241%0.405SS*.  trans41.558.5-176-61.3-165.2-179.81021.3113L26 M27L26-R30 WeakPolarHBondContact O-CA 3.5Å; L26-R30 PolarHBondContact O-N 2.7Å; M27-R30 WeakPolarHBondContact O-CG 3.47Å
31P86.6Confident88.9Confident39 Ų3976.9 Ų76.925%0.25338%0.383SS..  trans-63.2145.9-179.130-36.8000111L26 D33 Y37L26-P31 HydrophobicContact CD2-CG 3.83Å; P31-D33 VanDerWaalsContact C-N 3.25Å; P31-D33 PolarHBondContact O-N 3.34Å; P31-Y37 HydrophobicContact CB-CD2 4.16Å; P31-Y37 HydrophobicContact CB-CG 4.17Å; P31-Y37 HydrophobicContact CG-CD1 4.05Å; P31-Y37 HydrophobicContact CG-CD2 3.99Å; P31-Y37 HydrophobicContact CG-CG 3.62Å
32D82.6Confident89Confident176 Ų17680.7 Ų80.794%0.94140%0.404SS*.SBendtrans-64.4-30.6177.9-66.2-45.4000112.4
33D92.9Very high89Confident90 Ų9085.3 Ų85.348%0.48142%0.423SS..  trans-114.1100.8169.2-168.9-22.3000110.7P31 I35 D36 Y37P31-D33 VanDerWaalsContact C-N 3.25Å; P31-D33 PolarHBondContact O-N 3.34Å; D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.97Å; D33-I35 PolarHBondContact OD1-N 2.8Å; D33-D36 HydrophobicContact CB-CB 4.23Å; D33-D36 PolarHBondContact OD1-N 3.22Å; D33-Y37 WeakPolarHBondContact O-CB 3.43Å; D33-Y37 PolarHBondContact O-N 3.16Å
34P89.2Confident88.9Confident63 Ų6385.4 Ų85.441%0.40942%0.42SS..Hα-helixtrans-73.2-23.4-178.528.6-34.1000113.4L26 L38L26-P34 HydrophobicContact CD2-CB 3.74Å; P34-L38 WeakPolarHBondContact O-CB 3.48Å; P34-L38 VanDerWaalsContact O-CG 3.25Å; P34-L38 WeakPolarHBondContact O-CG 3.35Å; P34-L38 PolarHBondContact O-N 2.85Å; P34-L38 VanDerWaalsContact O-N 3.1Å
35I91Very high89Confident126 Ų12684 Ų8465%0.64641%0.411SS*.Hα-helixtrans-77.1-47.5-177.7-61.9-178.8000109.6D33 Y37 L38 E39D33-I35 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.97Å; D33-I35 PolarHBondContact OD1-N 2.8Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; I35-Y37 PolarHBondContact O-N 3.32Å; I35-L38 PolarHBondContact O-N 3.38Å; I35-E39 PolarHBondContact O-N 3.49Å
36D92Very high89Confident104 Ų10493.9 Ų93.956%0.55645%0.448SS*.Hα-helixtrans-61.4-40.1176.8-172.760.1000111.3D33 E39 G40D33-D36 HydrophobicContact CB-CB 4.23Å; D33-D36 PolarHBondContact OD1-N 3.22Å; D36-E39 PolarHBondContact O-N 3.16Å; D36-G40 PolarHBondContact O-N 3.27Å
37Y91.4Very high89Confident49 Ų49100 Ų10019%0.19248%0.476CS..Hα-helixtrans-60.7-47.8174.3-179.9-94.2000112.7G25 L26 Y29 P31 D33 I35 E39 G40 C41G25-Y37 WeakPolarHBondContact CA-OH 3.39Å; G25-Y37 PolarHBondContact O-OH 3.18Å; L26-Y37 HydrophobicContact CD2-CD1 3.55Å; L26-Y37 HydrophobicContact CD2-CE1 4.15Å; L26-Y37 HydrophobicContact CD2-CG 4.35Å; L26-Y37 HydrophobicContact CG-CD1 3.94Å; L26-Y37 HydrophobicContact CG-CE1 4.14Å; Y29-Y37 WeakPolarHBondContact CD2-OH 3.44Å; P31-Y37 HydrophobicContact CB-CD2 4.16Å; P31-Y37 HydrophobicContact CB-CG 4.17Å; P31-Y37 HydrophobicContact CG-CD1 4.05Å; P31-Y37 HydrophobicContact CG-CD2 3.99Å; P31-Y37 HydrophobicContact CG-CG 3.62Å; D33-Y37 WeakPolarHBondContact O-CB 3.43Å; D33-Y37 PolarHBondContact O-N 3.16Å; I35-Y37 VanDerWaalsContact C-N 3.29Å; I35-Y37 PolarHBondContact O-N 3.32Å; Y37-E39 VanDerWaalsContact C-N 3.31Å; Y37-E39 PolarHBondContact O-N 3.15Å; Y37-G40 PolarHBondContact O-N 3Å; Y37-C41 VanDerWaalsContact CE1-SG 3.51Å; Y37-C41 PolarHBondContact O-N 3.12Å; Y37-C41 PolarHBondContact O-SG 3Å
38L91.3Very high88.9Confident53 Ų5396.5 Ų96.528%0.27746%0.46SS..Hα-helixtrans-62.6-38.7177.2-78.1176.6000112.1L22 L26 P34 I35 G40 C41 L42L22-L38 HydrophobicContact CB-CD2 3.78Å; L22-L38 HydrophobicContact CD1-CD2 4.42Å; L22-L38 HydrophobicContact CD2-CD2 4.17Å; L22-L38 HydrophobicContact CG-CD2 4.34Å; L26-L38 HydrophobicContact CD1-CD1 3.85Å; L26-L38 HydrophobicContact CD1-CD2 3.59Å; L26-L38 HydrophobicContact CD1-CG 3.74Å; L26-L38 HydrophobicContact CD2-CG 4.32Å; L26-L38 HydrophobicContact CG-CD2 3.94Å; L26-L38 HydrophobicContact CG-CG 4.16Å; P34-L38 WeakPolarHBondContact O-CB 3.48Å; P34-L38 VanDerWaalsContact O-CG 3.25Å; P34-L38 WeakPolarHBondContact O-CG 3.35Å; P34-L38 PolarHBondContact O-N 2.85Å; P34-L38 VanDerWaalsContact O-N 3.1Å; I35-L38 PolarHBondContact O-N 3.38Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-C41 PolarHBondContact O-N 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 2.98Å
39E91.4Very high88.8Confident96 Ų9692.5 Ų92.545%0.44946%0.46SS..Hα-helixtrans-62.5-42.5174.9-163.3-172.4145.900111.2I35 D36 Y37 L42 K43I35-E39 PolarHBondContact O-N 3.49Å; D36-E39 PolarHBondContact O-N 3.16Å; Y37-E39 VanDerWaalsContact C-N 3.31Å; Y37-E39 PolarHBondContact O-N 3.15Å; E39-L42 PolarHBondContact O-N 3.29Å; E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.45Å; E39-K43 WeakPolarHBondContact OE1-CE 3.33Å; E39-K43 IonicContact OE1-NZ 3.67Å; E39-K43 PolarHBondContact OE1-NZ 2.94Å
40G89.5Confident88.7Confident38 Ų3888.2 Ų88.239%0.39245%0.452SS..Hα-helixtrans-60.1-44.5173.200000112.9D36 Y37 L38 K43 K44D36-G40 PolarHBondContact O-N 3.27Å; Y37-G40 PolarHBondContact O-N 3Å; L38-G40 VanDerWaalsContact C-N 3.33Å; G40-K43 PolarHBondContact O-N 3.47Å; G40-K44 PolarHBondContact O-N 3.28Å
41C90.1Very high88.4Confident7 Ų780.2 Ų80.25%0.04743%0.426CS..Hα-helixtrans-63.3-43.5176.2-70.80000112.1L22 Y37 L38 K43 K44 V45 F59L22-C41 HydrophobicContact CD2-CB 3.21Å; Y37-C41 VanDerWaalsContact CE1-SG 3.51Å; Y37-C41 PolarHBondContact O-N 3.12Å; Y37-C41 PolarHBondContact O-SG 3Å; L38-C41 PolarHBondContact O-N 3.31Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.38Å; C41-K44 WeakPolarHBondContact O-CB 3.34Å; C41-K44 PolarHBondContact O-N 3.44Å; C41-K44 VanDerWaalsContact O-N 3.15Å; C41-V45 WeakPolarHBondContact O-CG2 3.32Å; C41-V45 PolarHBondContact O-N 3.01Å; C41-F59 HydrophobicContact CB-CD1 4.05Å; C41-F59 HydrophobicContact CB-CE1 3.69Å; C41-F59 HydrophobicContact CB-CE2 4.21Å; C41-F59 HydrophobicContact CB-CG 4.45Å; C41-F59 HydrophobicContact CB-CZ 3.78Å; C41-F59 WeakPolarHBondContact O-CZ 3.42Å; C41-F59 VanDerWaalsContact SG-CD1 3.58Å
42L91.6Very high88.1Confident81 Ų8185 Ų8542%0.42445%0.445SS..Hα-helixtrans-64.2-36177.1-73.2171.8000112.7L18 L22 L38 E39 V45 R46L18-L42 HydrophobicContact CD1-CD2 4.37Å; L18-L42 HydrophobicContact CD2-CD2 4.16Å; L22-L42 HydrophobicContact CD1-CD2 3.84Å; L22-L42 HydrophobicContact CD1-CG 4.29Å; L38-L42 WeakPolarHBondContact O-CG 3.5Å; L38-L42 PolarHBondContact O-N 2.98Å; E39-L42 PolarHBondContact O-N 3.29Å; L42-V45 PolarHBondContact O-N 2.85Å; L42-R46 PolarHBondContact O-N 3.08Å; L42-R46 VanDerWaalsContact O-N 3.14Å
43K91.1Very high88.1Confident104 Ų10483.2 Ų83.245%0.45243%0.428SS..Hα-helixtrans-61-45.5170.7-75.2170-175.1160.20110.8E39 G40 C41 V45 R46 E47E39-K43 WeakPolarHBondContact O-CG 3.43Å; E39-K43 PolarHBondContact O-N 3.45Å; E39-K43 WeakPolarHBondContact OE1-CE 3.33Å; E39-K43 IonicContact OE1-NZ 3.67Å; E39-K43 PolarHBondContact OE1-NZ 2.94Å; G40-K43 PolarHBondContact O-N 3.47Å; C41-K43 VanDerWaalsContact C-N 3.34Å; C41-K43 PolarHBondContact O-N 3.38Å; K43-V45 PolarHBondContact O-N 2.95Å; K43-R46 VanDerWaalsContact O-CB 3.31Å; K43-R46 WeakPolarHBondContact O-CB 3.46Å; K43-R46 PolarHBondContact O-N 3.5Å; K43-R46 VanDerWaalsContact O-N 3.09Å; K43-E47 PolarHBondContact O-N 3.05Å
44K87.7Confident87.7Confident100 Ų10078.9 Ų78.944%0.43541%0.406SS..Hα-helixtrans-64.8-35.8177.2-170.3172.3179.2-171.50113.1G40 C41 R46 E47 L48 F59G40-K44 PolarHBondContact O-N 3.28Å; C41-K44 WeakPolarHBondContact O-CB 3.34Å; C41-K44 PolarHBondContact O-N 3.44Å; C41-K44 VanDerWaalsContact O-N 3.15Å; K44-R46 VanDerWaalsContact C-N 3.29Å; K44-R46 PolarHBondContact O-N 3.44Å; K44-E47 PolarHBondContact O-N 3.45Å; K44-L48 HydrophobicContact CG-CD1 4.42Å; K44-L48 VanDerWaalsContact O-CG 3.28Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.36Å; K44-F59 HydrophobicContact CB-CE1 4.14Å; K44-F59 HydrophobicContact CD-CD1 4.39Å; K44-F59 HydrophobicContact CD-CE1 3.97Å; K44-F59 HydrophobicContact CG-CE1 4.26Å
45V89.9Confident87.5Confident8 Ų883 Ų835%0.04841%0.413CS..Hα-helixtrans-60.5-41.1171174.10000111.5L18 C41 L42 K43 E47 L48 G49 G50 T51 V54 F59L18-V45 HydrophobicContact CD1-CB 4.41Å; L18-V45 HydrophobicContact CD1-CG1 4.11Å; L18-V45 HydrophobicContact CD1-CG2 3.67Å; C41-V45 WeakPolarHBondContact O-CG2 3.32Å; C41-V45 PolarHBondContact O-N 3.01Å; L42-V45 PolarHBondContact O-N 2.85Å; K43-V45 PolarHBondContact O-N 2.95Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 3Å; V45-L48 PolarHBondContact O-N 3.05Å; V45-G49 PolarHBondContact O-N 3.08Å; V45-G50 PolarHBondContact O-N 3.43Å; V45-G50 VanDerWaalsContact O-N 3.16Å; V45-T51 HydrophobicContact CG1-CG2 4.31Å; V45-V54 HydrophobicContact CB-CG2 4.09Å; V45-V54 HydrophobicContact CG1-CG2 3.6Å; V45-V54 HydrophobicContact CG2-CG2 3.58Å; V45-F59 HydrophobicContact CG2-CE2 4.14Å; V45-F59 HydrophobicContact CG2-CZ 3.58Å
46R87.5Confident87Confident207 Ų20783.4 Ų83.478%0.78141%0.406SS*.Hα-helixtrans-64.2-39.8177.7-165.4178.9-65.1177.30.7111.4L42 K43 K44 G49L42-R46 PolarHBondContact O-N 3.08Å; L42-R46 VanDerWaalsContact O-N 3.14Å; K43-R46 VanDerWaalsContact O-CB 3.31Å; K43-R46 WeakPolarHBondContact O-CB 3.46Å; K43-R46 PolarHBondContact O-N 3.5Å; K43-R46 VanDerWaalsContact O-N 3.09Å; K44-R46 VanDerWaalsContact C-N 3.29Å; K44-R46 PolarHBondContact O-N 3.44Å; R46-G49 PolarHBondContact O-N 3.13Å
47E88.4Confident86.5Confident160 Ų16080.1 Ų80.175%0.74839%0.389SS*.Hα-helixtrans-66.8-35.6175.5-68.8171.3-178.100113K43 K44 V45 G49K43-E47 PolarHBondContact O-N 3.05Å; K44-E47 PolarHBondContact O-N 3.45Å; V45-E47 VanDerWaalsContact C-N 3.32Å; V45-E47 PolarHBondContact O-N 3Å; E47-G49 PolarHBondContact O-N 3.4Å
48L84.9Confident86.3Confident68 Ų6879.6 Ų79.636%0.35639%0.391SS..Hα-helixtrans-69.4-13.8176.4-70169.3000113K44 V45 K53 T58K44-L48 HydrophobicContact CG-CD1 4.42Å; K44-L48 VanDerWaalsContact O-CG 3.28Å; K44-L48 WeakPolarHBondContact O-CG 3.43Å; K44-L48 PolarHBondContact O-N 3.36Å; V45-L48 PolarHBondContact O-N 3.05Å; L48-K53 VanDerWaalsContact O-CD 3.23Å; L48-K53 WeakPolarHBondContact O-CD 3.45Å; L48-K53 WeakPolarHBondContact O-CE 3.44Å; L48-K53 PolarHBondContact O-NZ 3.31Å; L48-T58 HydrophobicContact CD1-CG2 3.78Å
49G83.8Confident86.1Confident54 Ų5477.7 Ų77.756%0.55738%0.38SS*.THydrogen-bonded Turntrans99.126.5175.300000114.3V45 R46 E47V45-G49 PolarHBondContact O-N 3.08Å; R46-G49 PolarHBondContact O-N 3.13Å; E47-G49 PolarHBondContact O-N 3.4Å
50G82.3Confident85.6Confident28 Ų2874.7 Ų74.729%0.28937%0.368SS..SBendtrans115.9176.6172.900000114V45 E52 K53V45-G50 PolarHBondContact O-N 3.43Å; V45-G50 VanDerWaalsContact O-N 3.16Å; G50-E52 VanDerWaalsContact C-N 3.27Å; G50-E52 PolarHBondContact O-N 3.03Å; G50-K53 PolarHBondContact O-N 2.88Å
51T82.1Confident84.8Confident34 Ų3475 Ų7521%0.20937%0.371CS..G310 helixtrans-65.4-29.3-176.546.70000113.2R13 L18 V45 K53 V54R13-T51 WeakPolarHBondContact O-CB 3.37Å; R13-T51 PolarHBondContact O-OG1 3.25Å; L18-T51 HydrophobicContact CB-CG2 4.08Å; L18-T51 HydrophobicContact CD1-CG2 4.27Å; L18-T51 HydrophobicContact CD2-CG2 3.72Å; L18-T51 HydrophobicContact CG-CG2 4.23Å; V45-T51 HydrophobicContact CG1-CG2 4.31Å; T51-K53 PolarHBondContact O-N 3.18Å; T51-K53 VanDerWaalsContact O-N 3.11Å; T51-V54 WeakPolarHBondContact O-CB 3.35Å; T51-V54 PolarHBondContact O-N 2.85Å
52E80.4Confident83.1Confident139 Ų13981.9 Ų81.965%0.6540%0.403SS*.G310 helixtrans-61.9-19.1-179.7-62.2179.7-166.500114.7E14 G50E14-E52 VanDerWaalsContact OE2-CA 3.28Å; E14-E52 WeakPolarHBondContact OE2-CA 3.49Å; G50-E52 VanDerWaalsContact C-N 3.27Å; G50-E52 PolarHBondContact O-N 3.03Å
53K81.3Confident80.9Confident138 Ų13886 Ų8660%0.642%0.42SS*.G310 helixtrans-1002.4178.5-55.7-154-153.6149.30113.5L48 G50 T51L48-K53 VanDerWaalsContact O-CD 3.23Å; L48-K53 WeakPolarHBondContact O-CD 3.45Å; L48-K53 WeakPolarHBondContact O-CE 3.44Å; L48-K53 PolarHBondContact O-NZ 3.31Å; G50-K53 PolarHBondContact O-N 2.88Å; T51-K53 PolarHBondContact O-N 3.18Å; T51-K53 VanDerWaalsContact O-N 3.11Å
54V85.1Confident78.5Confident0 Ų091.9 Ų91.90%044%0.439CS..  trans-93116.6-179.3-178.20000108.7Q17 S21 V45 T51 F59Q17-V54 WeakPolarHBondContact CG-O 3.28Å; Q17-V54 PolarHBondContact NE2-O 3.39Å; S21-V54 VanDerWaalsContact OG-CG1 3.3Å; S21-V54 WeakPolarHBondContact OG-CG1 3.22Å; V45-V54 HydrophobicContact CB-CG2 4.09Å; V45-V54 HydrophobicContact CG1-CG2 3.6Å; V45-V54 HydrophobicContact CG2-CG2 3.58Å; T51-V54 WeakPolarHBondContact O-CB 3.35Å; T51-V54 PolarHBondContact O-N 2.85Å; V54-F59 HydrophobicContact CG1-CE2 4.25Å
55R84.8Confident76.1Confident148 Ų14895.5 Ų95.556%0.55846%0.455SS*.  trans-91.7163.7165.8-68.8174.847123.95.9111.5S21 D57 T58S21-R55 VanDerWaalsContact CB-O 3.27Å; S21-R55 WeakPolarHBondContact CB-O 3.41Å; S21-R55 PolarHBondContact OG-O 3.33Å; R55-D57 VanDerWaalsContact CB-OD1 3.28Å; R55-D57 WeakPolarHBondContact CB-OD1 3.37Å; R55-D57 IonicContact CZ-OD1 3.76Å; R55-D57 IonicContact NE-OD1 3.05Å; R55-D57 PolarHBondContact NE-OD1 3.46Å; R55-D57 IonicContact NH2-OD1 3.55Å; R55-D57 PolarHBondContact O-N 3.24Å; R55-D57 VanDerWaalsContact O-N 3.09Å; R55-T58 WeakPolarHBondContact CA-OG1 3.29Å; R55-T58 PolarHBondContact N-OG1 3.02Å; R55-T58 WeakPolarHBondContact O-CB 3.41Å; R55-T58 PolarHBondContact O-N 3.48Å; R55-T58 VanDerWaalsContact O-N 3.07Å; R55-T58 PolarHBondContact O-OG1 3.37Å
56W80.8Confident73.7Confident136 Ų136100.6 Ų100.652%0.51549%0.491SS..THydrogen-bonded Turntrans-52.6-31.9175.772.2-95.9000113.4E20 T24E20-W56 HydrophobicContact CG-CB 4.44Å; T24-W56 HydrophobicContact CG2-CE3 4.29Å
57D82.4Confident71.2Confident34 Ų3498.6 Ų98.618%0.18250%0.495CS..THydrogen-bonded Turntrans-96.43.9-177.462.3-37.8000114.8R55 F59 V60R55-D57 VanDerWaalsContact CB-OD1 3.28Å; R55-D57 WeakPolarHBondContact CB-OD1 3.37Å; R55-D57 IonicContact CZ-OD1 3.76Å; R55-D57 IonicContact NE-OD1 3.05Å; R55-D57 PolarHBondContact NE-OD1 3.46Å; R55-D57 IonicContact NH2-OD1 3.55Å; R55-D57 PolarHBondContact O-N 3.24Å; R55-D57 VanDerWaalsContact O-N 3.09Å; D57-F59 PolarHBondContact O-N 3.05Å; D57-V60 PolarHBondContact O-N 3.16Å
58T85.9Confident68.8Low38 Ų3896.1 Ų96.123%0.23349%0.493CS..THydrogen-bonded Turntrans-55.8-32.5-172.4-55.40000113.9L48 R55L48-T58 HydrophobicContact CD1-CG2 3.78Å; R55-T58 WeakPolarHBondContact CA-OG1 3.29Å; R55-T58 PolarHBondContact N-OG1 3.02Å; R55-T58 WeakPolarHBondContact O-CB 3.41Å; R55-T58 PolarHBondContact O-N 3.48Å; R55-T58 VanDerWaalsContact O-N 3.07Å; R55-T58 PolarHBondContact O-OG1 3.37Å
59F86.7Confident66.8Low14 Ų1498.7 Ų98.76%0.06151%0.513CS..THydrogen-bonded Turntrans-10110.9-179.7-58.8-69.1000113.5S21 L22 Y29 C41 K44 V45 V54 D57S21-F59 VanDerWaalsContact OG-CD2 3.22Å; S21-F59 WeakPolarHBondContact OG-CD2 3.46Å; L22-F59 HydrophobicContact CD2-CD2 4.36Å; L22-F59 HydrophobicContact CD2-CE2 3.85Å; L22-F59 HydrophobicContact CD2-CZ 4.3Å; Y29-F59 WeakPolarHBondContact CE2-O 3.38Å; C41-F59 HydrophobicContact CB-CD1 4.05Å; C41-F59 HydrophobicContact CB-CE1 3.69Å; C41-F59 HydrophobicContact CB-CE2 4.21Å; C41-F59 HydrophobicContact CB-CG 4.45Å; C41-F59 HydrophobicContact CB-CZ 3.78Å; C41-F59 WeakPolarHBondContact O-CZ 3.42Å; C41-F59 VanDerWaalsContact SG-CD1 3.58Å; K44-F59 HydrophobicContact CB-CE1 4.14Å; K44-F59 HydrophobicContact CD-CD1 4.39Å; K44-F59 HydrophobicContact CD-CE1 3.97Å; K44-F59 HydrophobicContact CG-CE1 4.26Å; V45-F59 HydrophobicContact CG2-CE2 4.14Å; V45-F59 HydrophobicContact CG2-CZ 3.58Å; V54-F59 HydrophobicContact CG1-CE2 4.25Å; D57-F59 PolarHBondContact O-N 3.05Å
60V81.7Confident64.8Low33 Ų33104.6 Ų104.620%0.253%0.531CS..SBendtrans-110.8123.7176.6-176.30000108.8T24 Y28 D57 Q62T24-V60 HydrophobicContact CG2-CG2 3.65Å; Y28-V60 HydrophobicContact CD1-CG1 4.32Å; Y28-V60 HydrophobicContact CD2-CG1 3.71Å; Y28-V60 HydrophobicContact CE1-CG1 4.32Å; Y28-V60 HydrophobicContact CE2-CG1 3.72Å; Y28-V60 HydrophobicContact CG-CG1 4.02Å; Y28-V60 HydrophobicContact CG-CG2 4.37Å; D57-V60 PolarHBondContact O-N 3.16Å; V60-Q62 PolarHBondContact O-N 3.45Å
61G72.8Confident62.6Low44 Ų44111 Ų11145%0.45456%0.559SS.*  trans-63.9131-17400000114.1Y29 E63Y29-G61 PolarHBondContact OH-N 2.79Å; G61-E63 PolarHBondContact O-N 3.29Å
62Q55.3Low60.4Low152 Ų152113.4 Ų113.471%0.7159%0.59SS**  trans-81.186166.1-74.1-171.9-2.300110.7V60 R64V60-Q62 PolarHBondContact O-N 3.45Å; Q62-R64 PolarHBondContact O-N 3.37Å
63E43.7Very low58.1Low167 Ų167110.4 Ų110.478%0.7860%0.596SS**  trans-88.288.1153.8-78.5-157.7177.300109.1G61 K65G61-E63 PolarHBondContact O-N 3.29Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.2Å
64R41.5Very low55.8Low227 Ų227112.9 Ų112.986%0.85761%0.61SS**  trans-71.591.2162.1-77.3-166.5178.1-165.70.5108.7Q62 S66Q62-R64 PolarHBondContact O-N 3.37Å; R64-S66 PolarHBondContact O-N 3.41Å
65K37.5Very low53.1Low177 Ų177118 Ų11877%0.7765%0.646SS**  trans-67.1108159.2-86.5176.3179.1168.20108.2E63 L67E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.2Å; K65-L67 PolarHBondContact O-N 2.88Å
66S39.4Very low50.8Low115 Ų115122.2 Ų122.280%0.80466%0.662SS**PPolyproline II helixtrans-60.4125.2169.948.90000109.9R64R64-S66 PolarHBondContact O-N 3.41Å
67L35.1Very low48.3Very low164 Ų164127 Ų12786%0.85968%0.68SS**PPolyproline II helixtrans-66.1140.6173.9-68.2168000110.3K65K65-L67 PolarHBondContact O-N 2.88Å
68P38.3Very low45.7Very low108 Ų108130.2 Ų130.270%0.70171%0.705SS**PPolyproline II helixtrans-74155.1174.530.9-31.7000110.9
69P42.3Very low43Very low122 Ų122135.4 Ų135.479%0.79273%0.73SS**PPolyproline II helixtrans-73.9139.3-175.230.6-32.3000111.2N71P69-N71 PolarHBondContact O-N 3.38Å
70L42.1Very low40.2Very low178 Ų178143.5 Ų143.593%0.93277%0.766SS**  trans-72105.6173.5-75.9158.3000109.8
71N35.5Very low37.7Very low164 Ų164153.5 Ų153.588%0.87780%0.8SS**  trans-111.5116.5160.3-104.611.3000109.2P69P69-N71 PolarHBondContact O-N 3.38Å
72G35.7Very low35.6Very low83 Ų83158.1 Ų158.186%0.85681%0.814SS**  trans-75.2162.317100000112.7
73G32.5Very low34.4Very low76 Ų76157.6 Ų157.678%0.78482%0.821SS**  trans127.789.5159.800000116.7
74Q32.7Very low33.6Very low191 Ų191157.2 Ų157.289%0.89382%0.824SS**  trans48.5136.5139.9-62.5-169.3-7.900124.1
75S28.7Very low34.3Very low106 Ų106151.3 Ų151.374%0.74182%0.815SS**  trans100.9106.8130.4-101.20000122
76R36Very low33.9Very low237 Ų237152.2 Ų152.289%0.89482%0.822SS**  trans27.2126.3135.3-72.7-174157.5173.1-4.5121.2
77R29.7Very low33.5Very low237 Ų237152.1 Ų152.189%0.89482%0.821SS**  trans145.5119.4130.5-83.6177.9178.3-178.60.6111.1
78S26.3Very low33.8Very low101 Ų101149.4 Ų149.471%0.70681%0.813SS**  91.9112.784.583.90000116.7
79L29.1Very low33.4Very low148 Ų148151.2 Ų151.278%0.77582%0.817SS**  trans58131.9133.8-65.9174.5000124.4
80F29.2Very low32.8Very low183 Ų183154.7 Ų154.780%0.80382%0.82SS**  trans71128.8154.5-67.7-70.6000121.3
81R28.9Very low32.7Very low244 Ų244150.7 Ų150.792%0.92181%0.805SS**  176.8142.7109.6-170.1168.4-119.7172.7-2.9113.5
82N29.3Very low32.5Very low140 Ų140153 Ų15375%0.74980%0.803SS**  trans-71.5167.8-175.7-60.9-34.9000116.3
83V29.8Very low32.3Very low142 Ų142160.1 Ų160.186%0.86180%0.804SS**  145.8126.5120.4177.50000113.7
84L26.9Very low32.3Very low159 Ų159167 Ų16783%0.83281%0.806SS**  trans-88-167.3175.5-87.4145000111.9
85P56Low32.1Very low103 Ų103169 Ų16967%0.66981%0.807SS**  cis-137.3-175.9-49.737.3-19.4000113.4
86E27.7Very low32.3Very low196 Ų196170.9 Ų170.992%0.91681%0.809SS**  trans-176.6145.3131.7-101.4177.3-171.400114.1
87S30.9Very low32.2Very low113 Ų113171.1 Ų171.179%0.7981%0.809SS**  trans-100.1-157.9-165.7-48.40000112
88P42.5Very low32.5Very low107 Ų107167.5 Ų167.570%0.69581%0.807SS**  cis-141165.8-10.538.9-19.1000116.8
89N29.1Very low33Very low146 Ų146167.5 Ų167.578%0.78181%0.805SS**  trans-179.398.1139.4-93.5-19.7000114.8
90F30.8Very low33.3Very low194 Ų194166.5 Ų166.585%0.85181%0.807SS**  trans67.8159.7137.6-88-66.2000123.6
91P40.4Very low33.6Very low94 Ų94165.3 Ų165.361%0.6181%0.807SS**  -125.2161.2-10845.5-31.7000116.7
92Y29.6Very low33.9Very low214 Ų214157.5 Ų157.584%0.83979%0.79SS**  -178.8136.9123.8-112.7-89.6000111.9
93R32.2Very low34.5Very low231 Ų231160.1 Ų160.187%0.87280%0.798SS**  trans25.7124.5166.3-75.8-166.6-175.4-166.14.7123.9
94R31.6Very low34.6Very low222 Ų222161.9 Ų161.984%0.83880%0.795SS**  trans-42.7136.7164.5-60.5176.5-173.51800.9116.5
95Y30.6Very low34.9Very low232 Ų232158.6 Ų158.691%0.9179%0.785SS**  trans-123.6130.1132.4-87.8-84.7000108.2
96D32Very low34.2Very low145 Ų145161.6 Ų161.678%0.77579%0.793SS**PPolyproline II helixtrans-62.2137.5178.7-74.9-50.2000111.4L98D96-L98 PolarHBondContact O-N 2.8Å
97R34Very low34.6Very low242 Ų242160 Ų16091%0.91379%0.786SS**PPolyproline II helixtrans-66.6124.8172.9-76.8-172.3173-176.6-1.8109.7
98L35.5Very low34.9Very low162 Ų162158.3 Ų158.385%0.84877%0.774SS**PPolyproline II helixtrans-61.1148.8158.4-73.7165.1000109.7D96D96-L98 PolarHBondContact O-N 2.8Å
99P36.4Very low34.8Very low101 Ų101160.1 Ų160.166%0.65678%0.778SS**PPolyproline II helixtrans-64159.8-173.327.4-34.3000112.1I101P99-I101 PolarHBondContact O-N 2.88Å
100P35.5Very low35.4Very low127 Ų127156.1 Ų156.183%0.82576%0.762SS**PPolyproline II helixtrans-62.1121.9179.225.5-31.2000109.4S102P100-S102 PolarHBondContact O-N 3.5Å; P100-S102 VanDerWaalsContact O-N 3.1Å
101I36.9Very low35.8Very low157 Ų157153.6 Ų153.681%0.80576%0.757SS**  trans-62.1115.7167.5-62.9171.1000105.9P99 Q103P99-I101 PolarHBondContact O-N 2.88Å; I101-Q103 PolarHBondContact O-N 2.97Å
102S33.7Very low35.8Very low80 Ų80155.8 Ų155.856%0.55976%0.763SS**  trans-49.6134.1170.549.50000109.7P100 F104P100-S102 PolarHBondContact O-N 3.5Å; P100-S102 VanDerWaalsContact O-N 3.1Å; S102-F104 PolarHBondContact O-N 3.36Å
103Q41.6Very low36.5Very low196 Ų196150.1 Ų150.192%0.91676%0.755SS**  trans-42.2101.8166-69.8168.1-44.800110I101I101-Q103 PolarHBondContact O-N 2.97Å
104F32.3Very low37.1Very low179 Ų179147.2 Ų147.279%0.78575%0.751SS**  trans-86.6111.2149.4-76-80.3000105S102 I106S102-F104 PolarHBondContact O-N 3.36Å; F104-I106 PolarHBondContact O-N 3.32Å
105S33.3Very low37.5Very low89 Ų89141.5 Ų141.562%0.62274%0.74SS**  trans-37.1131169.6-62.50000110.4E107S105-E107 PolarHBondContact O-N 3.26Å
106I42.7Very low37.9Very low167 Ų167134.4 Ų134.486%0.85673%0.73SS**  trans-67.980154.8-58.2170.7000104.3F104 S108F104-I106 PolarHBondContact O-N 3.32Å; I106-S108 PolarHBondContact O-N 3.23Å; I106-S108 VanDerWaalsContact O-N 3.16Å
107E34.7Very low38.4Very low161 Ų161133.4 Ų133.475%0.75272%0.721SS**  trans-69.3105.3162.7-82.1176.5-178.200105.7S105S105-E107 PolarHBondContact O-N 3.26Å
108S37.8Very low38.6Very low79 Ų79128.6 Ų128.655%0.55271%0.712SS**  trans43.8116.4147.247.80000117.3I106 S110I106-S108 PolarHBondContact O-N 3.23Å; I106-S108 VanDerWaalsContact O-N 3.16Å; S108-S110 PolarHBondContact O-N 3.11Å; S108-S110 PolarHBondContact O-OG 3.43Å; S108-S110 PolarHBondContact OG-OG 3.36Å
109D40.3Very low39Very low145 Ų145128.2 Ų128.278%0.77571%0.709SS**SBendtrans-57.657.7153.7-72.8-43.6000112
110S41Very low39.2Very low62 Ų62128.2 Ų128.243%0.43470%0.701SS.*  trans-93.5-7.7173.345.20000112.8S108 S113S108-S110 PolarHBondContact O-N 3.11Å; S108-S110 PolarHBondContact O-OG 3.43Å; S108-S110 PolarHBondContact OG-OG 3.36Å; S110-S113 PolarHBondContact O-OG 3.04Å; S110-S113 VanDerWaalsContact O-OG 3.13Å
111D40Very low39.7Very low140 Ų140131 Ų13175%0.74970%0.703SS**THydrogen-bonded Turntrans-1001.3-176.4-70.9-0.9000113.8S113D111-S113 VanDerWaalsContact C-N 3.31Å
112L39.9Very low40.5Very low141 Ų141129 Ų12974%0.73869%0.686SS**THydrogen-bonded Turntrans-87.81.2171.1-73.5172.3000113.1
113S44.2Very low41.8Very low95 Ų95131.7 Ų131.766%0.66469%0.69SS**SBendtrans-110.93.6-177.348.60000116.2S110 D111S110-S113 PolarHBondContact O-OG 3.04Å; S110-S113 VanDerWaalsContact O-OG 3.13Å; D111-S113 VanDerWaalsContact C-N 3.31Å
114E44.2Very low43.2Very low170 Ų170123.3 Ų123.379%0.79465%0.652SS**SBendtrans-113.8-3.7-178.7-87-168.9170.300117.1
115T40.1Very low45.3Very low101 Ų101116.8 Ų116.862%0.6262%0.623SS**SBendtrans-149.627.7167.842.90000114.5E117T115-E117 PolarHBondContact O-N 2.98Å
116A40.2Very low47.1Very low83 Ų83116.2 Ų116.269%0.68661%0.613SS**  trans-73.461.9144.400000107.1L118A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.36Å
117E41.7Very low48.6Very low125 Ų125113.1 Ų113.158%0.58460%0.604SS**  trans-55.4106.2160.3-75178.4-179.200103.5T115 I119 Q205T115-E117 PolarHBondContact O-N 2.98Å; E117-I119 PolarHBondContact O-N 2.96Å; E117-Q205 PolarHBondContact OE2-NE2 3.21Å; E117-Q205 VanDerWaalsContact OE2-NE2 3.13Å
118L38.7Very low50.3Low141 Ų141110.2 Ų110.274%0.73860%0.601SS**  trans-35.6114.1158.6-76.4140.1000105.6A116 E120A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.36Å; L118-E120 HydrophobicContact CB-CG 4.38Å; L118-E120 PolarHBondContact O-N 3.41Å
119I43.4Very low52Low153 Ų153112.1 Ų112.179%0.78560%0.596SS**  trans-69.673.2163.3-54.4171.8000103.2E117 E121E117-I119 PolarHBondContact O-N 2.96Å; I119-E121 PolarHBondContact O-N 3.26Å
120E41.1Very low53.7Low102 Ų102111.2 Ų111.248%0.47760%0.598SS.*  trans-51.7125.1153.7-80.2-177.1-158.500103.7L118 Y122L118-E120 HydrophobicContact CB-CG 4.38Å; L118-E120 PolarHBondContact O-N 3.41Å; E120-Y122 HydrophobicContact CB-CD1 4.41Å; E120-Y122 HydrophobicContact CB-CD2 3.73Å; E120-Y122 HydrophobicContact CB-CE1 4.09Å; E120-Y122 HydrophobicContact CB-CE2 3.42Å; E120-Y122 VanDerWaalsContact CB-CE2 3.42Å; E120-Y122 HydrophobicContact CB-CG 4.25Å; E120-Y122 HydrophobicContact CG-CE2 4.35Å; E120-Y122 WeakPolarHBondContact O-CD2 3.48Å; E120-Y122 PolarHBondContact O-N 2.93Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.24Å; E120-Y122 PolarHBondContact OE2-OH 3.3Å
121E45.4Very low55.7Low185 Ų185114.6 Ų114.686%0.86460%0.602SS**  trans-63.569.2170.2-74.2178.9159.900107.7I119 E123I119-E121 PolarHBondContact O-N 3.26Å; E121-E123 PolarHBondContact O-N 2.91Å
122Y54.1Low58Low115 Ų115108.7 Ų108.745%0.45157%0.571SS.*  trans-68.2120169.6-66.5-69000106.3E120 V124 K204 M208E120-Y122 HydrophobicContact CB-CD1 4.41Å; E120-Y122 HydrophobicContact CB-CD2 3.73Å; E120-Y122 HydrophobicContact CB-CE1 4.09Å; E120-Y122 HydrophobicContact CB-CE2 3.42Å; E120-Y122 VanDerWaalsContact CB-CE2 3.42Å; E120-Y122 HydrophobicContact CB-CG 4.25Å; E120-Y122 HydrophobicContact CG-CE2 4.35Å; E120-Y122 WeakPolarHBondContact O-CD2 3.48Å; E120-Y122 PolarHBondContact O-N 2.93Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.24Å; E120-Y122 PolarHBondContact OE2-OH 3.3Å; Y122-V124 PolarHBondContact O-N 3.48Å; Y122-K204 WeakPolarHBondContact O-CE 3.31Å; Y122-K204 PolarHBondContact O-NZ 3.47Å; Y122-M208 HydrophobicContact CD1-CE 4.26Å; Y122-M208 HydrophobicContact CD2-CE 3.8Å; Y122-M208 HydrophobicContact CG-CE 3.61Å
123E60.7Low60.5Low137 Ų137105.1 Ų105.164%0.6455%0.549SS*.  trans-56.2121.1162.1-65.5-174.7151.300107.5E121 F125 P127E121-E123 PolarHBondContact O-N 2.91Å; E123-F125 PolarHBondContact O-N 2.95Å; E123-P127 WeakPolarHBondContact OE2-CD 3.46Å; E123-P127 VanDerWaalsContact OE2-CG 3.23Å; E123-P127 WeakPolarHBondContact OE2-CG 3.47Å
124V70.9Confident62.8Low19 Ų19100.7 Ų100.712%0.11552%0.518CS..SBendtrans-64.1-28.7-175.7-178.90000111.5Y122 K204 I207 Q234 I235Y122-V124 PolarHBondContact O-N 3.48Å; V124-K204 HydrophobicContact CG2-CD 3.96Å; V124-K204 HydrophobicContact CG2-CG 3.81Å; V124-I207 HydrophobicContact CG1-CB 4.09Å; V124-I207 HydrophobicContact CG1-CG2 3.55Å; V124-Q234 WeakPolarHBondContact CG2-O 3.44Å; V124-I235 HydrophobicContact CB-CG2 4.5Å; V124-I235 HydrophobicContact CG1-CG2 3.94Å; V124-I235 HydrophobicContact CG2-CG1 4.3Å
125F76.4Confident65.3Low43 Ų4392.6 Ų92.619%0.18948%0.48CS..SBendtrans-122.7137.1177.3-56.2-68.2000108.9E123 P127 P132 V134 I207 I216 I235 C236E123-F125 PolarHBondContact O-N 2.95Å; F125-P127 WeakPolarHBondContact O-CD 3.29Å; F125-P132 HydrophobicContact CD1-CG 3.59Å; F125-P132 HydrophobicContact CE1-CG 3.26Å; F125-P132 HydrophobicContact CZ-CG 4.1Å; F125-V134 HydrophobicContact CZ-CG2 4.35Å; F125-I207 HydrophobicContact CD1-CG2 4.36Å; F125-I207 HydrophobicContact CE1-CG2 3.54Å; F125-I207 HydrophobicContact CZ-CG2 3.91Å; F125-I216 HydrophobicContact CE1-CD1 4.22Å; F125-I235 HydrophobicContact CE2-CG2 3.98Å; F125-I235 HydrophobicContact CZ-CG2 4.2Å; F125-C236 HydrophobicContact CD2-CB 4.45Å; F125-C236 HydrophobicContact CE2-CB 3.79Å
126D72.6Confident67.9Low76 Ų7687.8 Ų87.841%0.40645%0.451SS..  trans-66.9118.9174.5-179.6-12.4000109.5S128 R129D126-S128 PolarHBondContact O-N 3.44Å; D126-S128 VanDerWaalsContact O-N 3.15Å; D126-S128 VanDerWaalsContact OD1-CB 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.36Å; D126-S128 PolarHBondContact OD1-N 2.64Å; D126-S128 PolarHBondContact OD1-OG 2.85Å; D126-S128 PolarHBondContact OD2-OG 3.22Å; D126-S128 VanDerWaalsContact OD2-OG 3.07Å; D126-R129 HydrophobicContact CB-CB 4.47Å; D126-R129 HydrophobicContact CB-CG 4.29Å; D126-R129 PolarHBondContact O-N 2.77Å; D126-R129 IonicContact OD2-NE 3.13Å
127P72.4Confident70.5Confident103 Ų10383.9 Ų83.967%0.66942%0.418SS*.THydrogen-bonded Turntrans-66.4-15.7-177.527.6-35.8000113E123 F125 R129E123-P127 WeakPolarHBondContact OE2-CD 3.46Å; E123-P127 VanDerWaalsContact OE2-CG 3.23Å; E123-P127 WeakPolarHBondContact OE2-CG 3.47Å; F125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-R129 VanDerWaalsContact C-N 3.25Å; P127-R129 PolarHBondContact O-N 2.86Å
128S70.8Confident73Confident99 Ų9978.2 Ų78.269%0.69239%0.392SS*.THydrogen-bonded Turntrans-78.6-8.1175.373.60000113.6D126D126-S128 PolarHBondContact O-N 3.44Å; D126-S128 VanDerWaalsContact O-N 3.15Å; D126-S128 VanDerWaalsContact OD1-CB 3.31Å; D126-S128 WeakPolarHBondContact OD1-CB 3.36Å; D126-S128 PolarHBondContact OD1-N 2.64Å; D126-S128 PolarHBondContact OD1-OG 2.85Å; D126-S128 PolarHBondContact OD2-OG 3.22Å; D126-S128 VanDerWaalsContact OD2-OG 3.07Å
129R74.3Confident75.6Confident120 Ų12072 Ų7245%0.45336%0.363SS..SBendtrans-116.8151.8-176.4-64-178178.9-153.8-4.9111.6D126 P127 R131 D212D126-R129 HydrophobicContact CB-CB 4.47Å; D126-R129 HydrophobicContact CB-CG 4.29Å; D126-R129 PolarHBondContact O-N 2.77Å; D126-R129 IonicContact OD2-NE 3.13Å; P127-R129 VanDerWaalsContact C-N 3.25Å; P127-R129 PolarHBondContact O-N 2.86Å; R129-R131 PolarHBondContact O-N 3.32Å; R129-D212 IonicContact CZ-OD1 3.09Å; R129-D212 IonicContact NH1-OD1 3.83Å; R129-D212 PolarHBondContact NH1-OD1 3.03Å; R129-D212 IonicContact NH2-OD1 3.87Å
130P75.9Confident77.8Confident125 Ų12564.8 Ų64.881%0.81233%0.326SS*.PPolyproline II helixtrans-62.4127.8171.726.7-32.7000109.4
131R82.9Confident80.1Confident134 Ų13460.5 Ų60.551%0.50631%0.307SS..PPolyproline II helixtrans-59.9137.7179.269.3177.6-174.777.1-1.6110.8R129 D239R129-R131 PolarHBondContact O-N 3.32Å; R131-D239 IonicContact CZ-OD1 2.66Å; R131-D239 VanDerWaalsContact CZ-OD1 3.27Å; R131-D239 IonicContact CZ-OD2 3.7Å; R131-D239 IonicContact NH1-OD1 3.77Å; R131-D239 PolarHBondContact NH1-OD1 3.34Å; R131-D239 IonicContact NH1-OD2 2.63Å; R131-D239 PolarHBondContact NH1-OD2 3.24Å; R131-D239 IonicContact NH2-OD1 2.85Å; R131-D239 PolarHBondContact NH2-OD1 3.47Å; R131-D239 IonicContact NH2-OD2 3.84Å
132P88.3Confident82Confident16 Ų1652.4 Ų52.410%0.10427%0.272CS..PPolyproline II helixtrans-61.3151.2172.522.5-30.4000111.1F125 V134 A213 I216F125-P132 HydrophobicContact CD1-CG 3.59Å; F125-P132 HydrophobicContact CE1-CG 3.26Å; F125-P132 HydrophobicContact CZ-CG 4.1Å; P132-V134 PolarHBondContact O-N 3.01Å; P132-A213 WeakPolarHBondContact CB-O 3.23Å; P132-I216 HydrophobicContact CB-CD1 4.38Å; P132-I216 HydrophobicContact CB-CG1 4.26Å; P132-I216 HydrophobicContact CG-CD1 4.08Å; P132-I216 HydrophobicContact CG-CG1 4.49Å
133K91.9Very high83.7Confident66 Ų6647 Ų4729%0.28725%0.252SS..EExtended strand (participates in β ladder)trans-71.1125.6169-65-64.1-175.2172.70110.1F158 N214 G215 I216 D239K133-F158 HydrophobicContact CB-CE2 4.26Å; K133-F158 HydrophobicContact CB-CZ 3.91Å; K133-F158 HydrophobicContact CG-CZ 4.4Å; K133-N214 PolarHBondContact N-O 3.4Å; K133-G215 CarbonylContact O-C 3.42Å; K133-G215 WeakPolarHBondContact O-CA 3.46Å; K133-I216 PolarHBondContact O-N 3.4Å; K133-D239 WeakPolarHBondContact CA-OD2 3.49Å; K133-D239 IonicContact NZ-OD1 2.68Å
134V93.7Very high85Confident1 Ų141.6 Ų41.61%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-111.5117.4-178.4178.50000110.3F125 P132 L136 I218 F231 D239 L240F125-V134 HydrophobicContact CZ-CG2 4.35Å; P132-V134 PolarHBondContact O-N 3.01Å; V134-L136 HydrophobicContact CG1-CD2 4.11Å; V134-I218 HydrophobicContact CG1-CD1 4.34Å; V134-F231 HydrophobicContact CG1-CE1 4.15Å; V134-F231 HydrophobicContact CG1-CZ 3.89Å; V134-D239 PolarHBondContact N-OD2 3.42Å; V134-D239 PolarHBondContact O-N 2.91Å; V134-L240 PolarHBondContact O-N 2.93Å
135I95Very high86Confident0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-112.3129177.1-59.7161.1000109.2V137 I152 F158 I216 V217 I218 L240 V242 L316 L320I135-V137 HydrophobicContact CG2-CG2 4.28Å; I135-I152 HydrophobicContact CD1-CG2 4.16Å; I135-F158 HydrophobicContact CD1-CD2 3.85Å; I135-F158 HydrophobicContact CD1-CE2 3.58Å; I135-I216 PolarHBondContact N-O 3.12Å; I135-V217 HydrophobicContact CD1-CG2 4.39Å; I135-V217 WeakPolarHBondContact O-CA 3.14Å; I135-I218 PolarHBondContact O-N 3.4Å; I135-L240 WeakPolarHBondContact CA-O 3.29Å; I135-V242 HydrophobicContact CG2-CG2 4.15Å; I135-L316 HydrophobicContact CD1-CD1 4.35Å; I135-L316 HydrophobicContact CD1-CD2 3.39Å; I135-L316 HydrophobicContact CG1-CD2 3.97Å; I135-L316 HydrophobicContact CG2-CD2 4.39Å; I135-L320 HydrophobicContact CD1-CD1 3.65Å; I135-L320 HydrophobicContact CG1-CD1 3.76Å
136L95.7Very high86.6Confident1 Ų140.9 Ų40.91%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-104.8129174.5-52-179.6000109.5V134 I218 F231 P238 L240 V241 V242 F290V134-L136 HydrophobicContact CG1-CD2 4.11Å; L136-I218 HydrophobicContact CD2-CB 3.78Å; L136-I218 HydrophobicContact CD2-CD1 3.8Å; L136-I218 HydrophobicContact CD2-CG1 4.08Å; L136-I218 HydrophobicContact CD2-CG2 4.45Å; L136-F231 HydrophobicContact CD1-CD1 4.32Å; L136-F231 HydrophobicContact CD1-CE1 4.31Å; L136-F231 HydrophobicContact CD2-CE1 4.17Å; L136-F231 HydrophobicContact CD2-CZ 4.11Å; L136-P238 HydrophobicContact CD1-CB 3.59Å; L136-P238 HydrophobicContact CD1-CG 3.64Å; L136-P238 HydrophobicContact CG-CB 3.71Å; L136-P238 HydrophobicContact CG-CG 4.3Å; L136-L240 PolarHBondContact N-O 3.32Å; L136-V241 HydrophobicContact CB-CG1 4.43Å; L136-V241 HydrophobicContact CB-CG2 4.22Å; L136-V241 HydrophobicContact CD1-CG2 4.24Å; L136-V241 CarbonylContact O-C 3.55Å; L136-V241 WeakPolarHBondContact O-CA 3.31Å; L136-V242 PolarHBondContact O-N 3.09Å; L136-F290 HydrophobicContact CD1-CZ 4.44Å
137V95.3Very high87.5Confident0 Ų039.1 Ų39.10%023%0.226CC..EExtended strand (participates in β ladder)trans-110.4111.3177.9-173.20000109.5I135 K145 S149 I152 V217 I218 G220 V242 L244I135-V137 HydrophobicContact CG2-CG2 4.28Å; V137-K145 HydrophobicContact CG1-CB 3.98Å; V137-K145 HydrophobicContact CG1-CG 4.07Å; V137-S149 WeakPolarHBondContact CB-OG 3.35Å; V137-S149 WeakPolarHBondContact CG2-OG 3.44Å; V137-I152 HydrophobicContact CG2-CD1 4.15Å; V137-V217 HydrophobicContact CG2-CG1 3.85Å; V137-I218 PolarHBondContact N-O 3.05Å; V137-G220 PolarHBondContact O-N 3.17Å; V137-V242 WeakPolarHBondContact CA-O 3.39Å; V137-V242 HydrophobicContact CG2-CB 4.47Å; V137-L244 HydrophobicContact CG1-CD1 4.33Å
138I94.5Very high88.4Confident6 Ų634.4 Ų34.43%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-115.7160.4-177.161.7162.6000111.4P222 V241 V242 F243 L244 L286 I296I138-P222 HydrophobicContact CG2-CG 4.42Å; I138-P222 WeakPolarHBondContact CG2-O 3.48Å; I138-V241 HydrophobicContact CD1-CG1 3.63Å; I138-V241 HydrophobicContact CG1-CG1 3.66Å; I138-V241 HydrophobicContact CG2-CG1 4.36Å; I138-V242 WeakPolarHBondContact CG1-O 3.5Å; I138-V242 PolarHBondContact N-O 2.65Å; I138-F243 HydrophobicContact CD1-CB 4.02Å; I138-F243 HydrophobicContact CD1-CD2 3.99Å; I138-F243 HydrophobicContact CD1-CG 4.3Å; I138-F243 HydrophobicContact CG1-CB 3.83Å; I138-F243 HydrophobicContact CG1-CD2 3.86Å; I138-F243 HydrophobicContact CG1-CG 4.29Å; I138-F243 WeakPolarHBondContact O-CA 3.43Å; I138-L244 PolarHBondContact O-N 3.22Å; I138-L286 HydrophobicContact CD1-CD2 4.37Å; I138-I296 HydrophobicContact CD1-CD1 3.96Å
139G92.1Very high89.5Confident12 Ų1229.7 Ų29.712%0.12416%0.162CC..EExtended strand (participates in β ladder)trans148.4169.1-172.400000114.1K145G139-K145 WeakPolarHBondContact O-CE 3.41Å; G139-K145 PolarHBondContact O-NZ 2.89Å
140G90.4Very high90.4Very high1 Ų127.5 Ų27.51%0.0116%0.159CC..  trans-64149.2-17400000113.7G142 S143 K145G140-G142 PolarHBondContact O-N 3.48Å; G140-G142 VanDerWaalsContact O-N 3.08Å; G140-S143 PolarHBondContact N-OG 3.34Å; G140-S143 VanDerWaalsContact O-CB 3.25Å; G140-S143 WeakPolarHBondContact O-CB 3.48Å; G140-S143 PolarHBondContact O-N 3.01Å; G140-S143 PolarHBondContact O-OG 3.43Å; G140-K145 PolarHBondContact O-NZ 3.2Å
141P88.3Confident91.1Very high12 Ų1223.6 Ų23.68%0.07813%0.129CC..THydrogen-bonded Turntrans-57.4118.417226.3-33.9000109.2L251 L255 R275 L276P141-L251 WeakPolarHBondContact O-CD2 3.41Å; P141-L255 HydrophobicContact CB-CD1 3.99Å; P141-L255 HydrophobicContact CB-CD2 4.04Å; P141-L255 HydrophobicContact CB-CG 4.46Å; P141-L255 HydrophobicContact CG-CD1 3.98Å; P141-L255 VanDerWaalsContact O-CD1 3.23Å; P141-L255 WeakPolarHBondContact O-CD1 3.38Å; P141-L255 WeakPolarHBondContact O-CG 3.33Å; P141-R275 HydrophobicContact CB-CB 4.45Å; P141-R275 HydrophobicContact CG-CB 4.02Å; P141-L276 HydrophobicContact CG-CD2 3.88Å; P141-L276 HydrophobicContact CG-CG 4.43Å
142G85.8Confident91.5Very high14 Ų1417.2 Ų17.214%0.14411%0.105CC..THydrogen-bonded Turntrans941.1-172.200000116.5G140 G144 R254G140-G142 PolarHBondContact O-N 3.48Å; G140-G142 VanDerWaalsContact O-N 3.08Å; G142-G144 PolarHBondContact O-N 3.29Å; G142-G144 VanDerWaalsContact O-N 3.16Å; G142-R254 WeakPolarHBondContact O-CD 3.46Å
143S90.1Very high91.7Very high2 Ų216.9 Ų16.91%0.01410%0.104CC..SBendtrans-756177.770.40000115.1G140 K145G140-S143 PolarHBondContact N-OG 3.34Å; G140-S143 VanDerWaalsContact O-CB 3.25Å; G140-S143 WeakPolarHBondContact O-CB 3.48Å; G140-S143 PolarHBondContact O-N 3.01Å; G140-S143 PolarHBondContact O-OG 3.43Å; S143-K145 WeakPolarHBondContact OG-CG 3.46Å
144G87.7Confident91.6Very high24 Ų2421 Ų2125%0.24712%0.124CC..SBendtrans847.7-179.300000116.2G142 G146 T147 Q148G142-G144 PolarHBondContact O-N 3.29Å; G142-G144 VanDerWaalsContact O-N 3.16Å; G144-G146 PolarHBondContact O-N 3.05Å; G144-T147 WeakPolarHBondContact O-CB 3.44Å; G144-T147 PolarHBondContact O-N 2.96Å; G144-T147 VanDerWaalsContact O-N 3.11Å; G144-Q148 WeakPolarHBondContact O-CG 3.35Å; G144-Q148 PolarHBondContact O-N 2.64Å
145K92.2Very high91.2Very high25 Ų2524.3 Ų24.311%0.10914%0.136CC..Hα-helixtrans-50-48.3-178.1-62.3178.8-68.2-64.70114.7V137 G139 G140 S143 T147 Q148 S149 D219 L244V137-K145 HydrophobicContact CG1-CB 3.98Å; V137-K145 HydrophobicContact CG1-CG 4.07Å; G139-K145 WeakPolarHBondContact O-CE 3.41Å; G139-K145 PolarHBondContact O-NZ 2.89Å; G140-K145 PolarHBondContact O-NZ 3.2Å; S143-K145 WeakPolarHBondContact OG-CG 3.46Å; K145-T147 VanDerWaalsContact C-N 3.31Å; K145-T147 PolarHBondContact O-N 3.4Å; K145-Q148 PolarHBondContact O-N 2.71Å; K145-S149 WeakPolarHBondContact O-CB 3.39Å; K145-S149 PolarHBondContact O-N 2.84Å; K145-S149 PolarHBondContact O-OG 3.07Å; K145-D219 WeakPolarHBondContact CB-OD1 3.41Å; K145-L244 HydrophobicContact CB-CD1 4.31Å; K145-L244 HydrophobicContact CG-CD1 3.96Å
146G89.6Confident90.9Very high21 Ų2126.1 Ų26.122%0.21614%0.144CC..Hα-helixtrans-61.5-42.4-178.200000111.7G144 S149 L150G144-G146 PolarHBondContact O-N 3.05Å; G146-S149 PolarHBondContact O-N 3.43Å; G146-L150 WeakPolarHBondContact O-CG 3.4Å; G146-L150 PolarHBondContact O-N 2.85Å
147T90.3Very high90.5Very high40 Ų4028.9 Ų28.925%0.24517%0.172CC..Hα-helixtrans-64-48.8177.3-40.80000111.5G144 K145 S149 L150 K151 E305G144-T147 WeakPolarHBondContact O-CB 3.44Å; G144-T147 PolarHBondContact O-N 2.96Å; G144-T147 VanDerWaalsContact O-N 3.11Å; K145-T147 VanDerWaalsContact C-N 3.31Å; K145-T147 PolarHBondContact O-N 3.4Å; T147-S149 VanDerWaalsContact C-N 3.35Å; T147-S149 PolarHBondContact O-N 3.24Å; T147-L150 PolarHBondContact O-N 3.32Å; T147-K151 PolarHBondContact O-N 3.21Å; T147-K151 VanDerWaalsContact O-N 3.12Å; T147-E305 HydrophobicContact CG2-CG 4.28Å; T147-E305 WeakPolarHBondContact CG2-OE1 3.5Å
148Q91.8Very high90.4Very high4 Ų429.7 Ų29.72%0.01918%0.176CC..Hα-helixtrans-64.3-40.2178.4-63.7-58.6-18.600112G144 K145 L150 K151 I152 L244 E305 V308 F309 I312G144-Q148 WeakPolarHBondContact O-CG 3.35Å; G144-Q148 PolarHBondContact O-N 2.64Å; K145-Q148 PolarHBondContact O-N 2.71Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 PolarHBondContact O-N 3.44Å; Q148-K151 PolarHBondContact O-N 3.23Å; Q148-I152 WeakPolarHBondContact O-CD1 3.5Å; Q148-I152 WeakPolarHBondContact O-CG1 3.23Å; Q148-I152 PolarHBondContact O-N 3.36Å; Q148-L244 HydrophobicContact CB-CD1 4.15Å; Q148-L244 HydrophobicContact CG-CD1 3.88Å; Q148-E305 PolarHBondContact NE2-O 2.87Å; Q148-V308 HydrophobicContact CG-CG1 4.12Å; Q148-F309 VanDerWaalsContact OE1-CA 3.27Å; Q148-I312 HydrophobicContact CB-CD1 3.69Å; Q148-I312 HydrophobicContact CG-CD1 3.77Å
149S94.3Very high90.4Very high0 Ų034 Ų340%020%0.196CC..Hα-helixtrans-65.3-37179.6-59.30000112.7V137 K145 G146 T147 A153V137-S149 WeakPolarHBondContact CB-OG 3.35Å; V137-S149 WeakPolarHBondContact CG2-OG 3.44Å; K145-S149 WeakPolarHBondContact O-CB 3.39Å; K145-S149 PolarHBondContact O-N 2.84Å; K145-S149 PolarHBondContact O-OG 3.07Å; G146-S149 PolarHBondContact O-N 3.43Å; T147-S149 VanDerWaalsContact C-N 3.35Å; T147-S149 PolarHBondContact O-N 3.24Å; S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.34Å
150L93Very high90.5Very high73 Ų7336.3 Ų36.338%0.38220%0.201SC..Hα-helixtrans-64.7-48.2172.5-78.7165.4000111.1G146 T147 Q148 I152 A153 E154 Y160G146-L150 WeakPolarHBondContact O-CG 3.4Å; G146-L150 PolarHBondContact O-N 2.85Å; T147-L150 PolarHBondContact O-N 3.32Å; Q148-L150 VanDerWaalsContact C-N 3.35Å; Q148-L150 PolarHBondContact O-N 3.44Å; L150-I152 VanDerWaalsContact C-N 3.3Å; L150-I152 PolarHBondContact O-N 2.96Å; L150-A153 PolarHBondContact O-N 3.22Å; L150-A153 VanDerWaalsContact O-N 3.13Å; L150-E154 WeakPolarHBondContact O-CG 3.32Å; L150-E154 PolarHBondContact O-N 3.06Å; L150-Y160 HydrophobicContact CD2-CD1 3.46Å; L150-Y160 VanDerWaalsContact CD2-CD1 3.46Å; L150-Y160 HydrophobicContact CD2-CD2 4.27Å; L150-Y160 HydrophobicContact CD2-CE1 3.6Å; L150-Y160 HydrophobicContact CD2-CE2 4.4Å; L150-Y160 HydrophobicContact CD2-CG 3.79Å; L150-Y160 HydrophobicContact CG-CD1 4.21Å; L150-Y160 HydrophobicContact CG-CD2 4.35Å; L150-Y160 HydrophobicContact CG-CE1 3.96Å; L150-Y160 HydrophobicContact CG-CE2 4.13Å; L150-Y160 HydrophobicContact CG-CG 4.36Å
151K90.3Very high90.6Very high44 Ų4436.7 Ų36.719%0.19120%0.202CC..Hα-helixtrans-59.4-39.9177-71.3179.7161.5173.80112T147 Q148 R155 E305 E306 F309T147-K151 PolarHBondContact O-N 3.21Å; T147-K151 VanDerWaalsContact O-N 3.12Å; Q148-K151 PolarHBondContact O-N 3.23Å; K151-R155 WeakPolarHBondContact O-CB 3.37Å; K151-R155 PolarHBondContact O-N 3.38Å; K151-E305 VanDerWaalsContact CE-OE1 3.22Å; K151-E305 WeakPolarHBondContact CE-OE1 3.4Å; K151-E305 IonicContact NZ-OE1 2.71Å; K151-E305 PolarHBondContact NZ-OE1 2.96Å; K151-E306 IonicContact NZ-OE1 2.7Å; K151-E306 PolarHBondContact NZ-OE1 2.99Å; K151-F309 VanDerWaalsContact C-CE2 3.42Å; K151-F309 HydrophobicContact CB-CD1 4.4Å; K151-F309 HydrophobicContact CB-CD2 3.49Å; K151-F309 VanDerWaalsContact CB-CD2 3.49Å; K151-F309 HydrophobicContact CB-CE1 4.2Å; K151-F309 HydrophobicContact CB-CE2 3.29Å; K151-F309 HydrophobicContact CB-CG 4.07Å; K151-F309 HydrophobicContact CB-CZ 3.67Å; K151-F309 HydrophobicContact CD-CB 4.18Å; K151-F309 HydrophobicContact CD-CD1 4.25Å; K151-F309 HydrophobicContact CD-CD2 4.09Å; K151-F309 HydrophobicContact CD-CG 3.89Å; K151-F309 HydrophobicContact CG-CD2 4.42Å; K151-F309 WeakPolarHBondContact O-CZ 3.43Å
152I91.8Very high90.9Very high0 Ų036.8 Ų36.80%020%0.204CC..Hα-helixtrans-63.2-48.8174.2-63.9161.6000110.1I135 V137 Q148 L150 E154 R155 Y156 V217 F309 I312 L316I135-I152 HydrophobicContact CD1-CG2 4.16Å; V137-I152 HydrophobicContact CG2-CD1 4.15Å; Q148-I152 WeakPolarHBondContact O-CD1 3.5Å; Q148-I152 WeakPolarHBondContact O-CG1 3.23Å; Q148-I152 PolarHBondContact O-N 3.36Å; L150-I152 VanDerWaalsContact C-N 3.3Å; L150-I152 PolarHBondContact O-N 2.96Å; I152-E154 VanDerWaalsContact C-N 3.31Å; I152-E154 PolarHBondContact O-N 3.49Å; I152-R155 PolarHBondContact O-N 3.19Å; I152-Y156 HydrophobicContact CG2-CD2 3.87Å; I152-Y156 HydrophobicContact CG2-CE2 4.33Å; I152-Y156 VanDerWaalsContact O-CD2 3.29Å; I152-Y156 WeakPolarHBondContact O-CD2 3.43Å; I152-Y156 PolarHBondContact O-N 3.08Å; I152-Y156 VanDerWaalsContact O-N 3.09Å; I152-V217 HydrophobicContact CB-CG2 4.36Å; I152-V217 HydrophobicContact CG2-CG2 3.7Å; I152-F309 HydrophobicContact CG1-CE2 4.03Å; I152-I312 HydrophobicContact CD1-CG2 3.58Å; I152-I312 HydrophobicContact CG1-CG2 3.76Å; I152-L316 HydrophobicContact CB-CD1 4.48Å; I152-L316 HydrophobicContact CD1-CD1 4.26Å; I152-L316 HydrophobicContact CG1-CD1 3.99Å; I152-L316 HydrophobicContact CG2-CD1 3.66Å
153A91.9Very high91.1Very high8 Ų836.4 Ų36.47%0.06620%0.198CC..Hα-helixtrans-59.5-42.6-179.100000112.4S149 L150 G157 F158 V217S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.34Å; L150-A153 PolarHBondContact O-N 3.22Å; L150-A153 VanDerWaalsContact O-N 3.13Å; A153-G157 CarbonylContact O-C 3.08Å; A153-G157 WeakPolarHBondContact O-CA 3.26Å; A153-G157 PolarHBondContact O-N 3.2Å; A153-F158 WeakPolarHBondContact CB-O 3.27Å; A153-F158 PolarHBondContact O-N 3.12Å; A153-V217 HydrophobicContact CB-CG2 4.4Å
154E89.8Confident90.9Very high153 Ų15336.6 Ų36.672%0.71520%0.201SC*.Hα-helixtrans-64.9-47.9176.4-72.1176.1179.400112.3L150 I152 Y156L150-E154 WeakPolarHBondContact O-CG 3.32Å; L150-E154 PolarHBondContact O-N 3.06Å; I152-E154 VanDerWaalsContact C-N 3.31Å; I152-E154 PolarHBondContact O-N 3.49Å; E154-Y156 PolarHBondContact O-N 3.46Å
155R86.6Confident90.9Very high71 Ų7139 Ų3927%0.26821%0.206SC..Hα-helixtrans-62.8-41-177.7178.4173.2172.9133.3-3.1113K151 I152 F309 S313 D317 S331K151-R155 WeakPolarHBondContact O-CB 3.37Å; K151-R155 PolarHBondContact O-N 3.38Å; I152-R155 PolarHBondContact O-N 3.19Å; R155-F309 HydrophobicContact CB-CZ 4.03Å; R155-S313 VanDerWaalsContact CZ-CB 3.45Å; R155-D317 IonicContact NH2-OD2 3.84Å; R155-D317 PolarHBondContact NH2-OD2 3.41Å; R155-S331 VanDerWaalsContact CZ-OG 3.3Å; R155-S331 PolarHBondContact NH1-O 2.74Å; R155-S331 PolarHBondContact NH1-OG 3.04Å
156Y87.7Confident90.7Very high38 Ų3839.1 Ų39.115%0.14921%0.207CC..Hα-helixtrans-100.61.9-174-63.4-76.9000113.9I152 E154 F158 S313 L316 D317 F321I152-Y156 HydrophobicContact CG2-CD2 3.87Å; I152-Y156 HydrophobicContact CG2-CE2 4.33Å; I152-Y156 VanDerWaalsContact O-CD2 3.29Å; I152-Y156 WeakPolarHBondContact O-CD2 3.43Å; I152-Y156 PolarHBondContact O-N 3.08Å; I152-Y156 VanDerWaalsContact O-N 3.09Å; E154-Y156 PolarHBondContact O-N 3.46Å; Y156-F158 HydrophobicContact CG-CE2 4.43Å; Y156-F158 WeakPolarHBondContact O-CD1 3.28Å; Y156-F158 WeakPolarHBondContact O-CE1 3.45Å; Y156-F158 PolarHBondContact O-N 3.22Å; Y156-S313 PolarHBondContact OH-O 3.04Å; Y156-L316 HydrophobicContact CD2-CD1 4.29Å; Y156-L316 HydrophobicContact CE2-CB 4.21Å; Y156-L316 HydrophobicContact CE2-CD1 3.67Å; Y156-D317 WeakPolarHBondContact CE1-OD1 3.24Å; Y156-D317 VanDerWaalsContact CZ-OD1 3.23Å; Y156-D317 VanDerWaalsContact OH-CG 3.23Å; Y156-D317 PolarHBondContact OH-OD1 2.88Å; Y156-D317 PolarHBondContact OH-OD2 3.41Å; Y156-F321 HydrophobicContact CD1-CD2 4.41Å; Y156-F321 AromaticContact CD1-CE2 3.57Å; Y156-F321 HydrophobicContact CD1-CE2 3.57Å; Y156-F321 HydrophobicContact CD1-CZ 4.12Å; Y156-F321 HydrophobicContact CE1-CD2 4.15Å; Y156-F321 AromaticContact CE1-CE2 3.71Å; Y156-F321 HydrophobicContact CE1-CE2 3.71Å; Y156-F321 HydrophobicContact CG-CE2 4.49Å
157G88.1Confident90.6Very high58 Ų5838.5 Ų38.560%0.59820%0.199SC*.THydrogen-bonded Turntrans62.132.5-175.100000112.8A153A153-G157 CarbonylContact O-C 3.08Å; A153-G157 WeakPolarHBondContact O-CA 3.26Å; A153-G157 PolarHBondContact O-N 3.2Å
158F93.4Very high90.3Very high18 Ų1838.5 Ų38.58%0.07920%0.195CC..PPolyproline II helixtrans-91.8155.3-179.7-68.4-8.2000111.4K133 I135 A153 Y156 Y160 G215 V217 F321K133-F158 HydrophobicContact CB-CE2 4.26Å; K133-F158 HydrophobicContact CB-CZ 3.91Å; K133-F158 HydrophobicContact CG-CZ 4.4Å; I135-F158 HydrophobicContact CD1-CD2 3.85Å; I135-F158 HydrophobicContact CD1-CE2 3.58Å; A153-F158 WeakPolarHBondContact CB-O 3.27Å; A153-F158 PolarHBondContact O-N 3.12Å; Y156-F158 HydrophobicContact CG-CE2 4.43Å; Y156-F158 WeakPolarHBondContact O-CD1 3.28Å; Y156-F158 WeakPolarHBondContact O-CE1 3.45Å; Y156-F158 PolarHBondContact O-N 3.22Å; F158-Y160 PolarHBondContact O-N 3.47Å; F158-G215 WeakPolarHBondContact CA-O 2.97Å; F158-G215 VanDerWaalsContact CD1-CA 3.44Å; F158-V217 HydrophobicContact CB-CG2 3.89Å; F158-V217 HydrophobicContact CD2-CG2 3.93Å; F158-V217 HydrophobicContact CG-CG2 4.45Å; F158-F321 HydrophobicContact CZ-CE2 4.49Å; F158-F321 AromaticContact CZ-CZ 3.85Å; F158-F321 HydrophobicContact CZ-CZ 3.85Å
159Q93.6Very high90Very high97 Ų9744.2 Ų44.245%0.45322%0.22SC..EExtended strand (participates in β ladder)trans-78.6120.3174.6-75.3-64.7-9.800110.9I210 A213 G215 I216 V217Q159-I210 HydrophobicContact CB-CD1 3.74Å; Q159-I210 HydrophobicContact CG-CD1 4.01Å; Q159-A213 HydrophobicContact CB-CB 4.4Å; Q159-A213 HydrophobicContact CG-CB 3.86Å; Q159-G215 PolarHBondContact N-O 3.22Å; Q159-I216 WeakPolarHBondContact O-CA 3.39Å; Q159-V217 PolarHBondContact O-N 2.94Å
160Y94.4Very high89.4Confident59 Ų5946.8 Ų46.823%0.23123%0.23CC..EExtended strand (participates in β ladder)trans-82.5132.5175.7170.9-110.2000111.7L150 F158 S162 D219L150-Y160 HydrophobicContact CD2-CD1 3.46Å; L150-Y160 VanDerWaalsContact CD2-CD1 3.46Å; L150-Y160 HydrophobicContact CD2-CD2 4.27Å; L150-Y160 HydrophobicContact CD2-CE1 3.6Å; L150-Y160 HydrophobicContact CD2-CE2 4.4Å; L150-Y160 HydrophobicContact CD2-CG 3.79Å; L150-Y160 HydrophobicContact CG-CD1 4.21Å; L150-Y160 HydrophobicContact CG-CD2 4.35Å; L150-Y160 HydrophobicContact CG-CE1 3.96Å; L150-Y160 HydrophobicContact CG-CE2 4.13Å; L150-Y160 HydrophobicContact CG-CG 4.36Å; F158-Y160 PolarHBondContact O-N 3.47Å; Y160-S162 WeakPolarHBondContact OH-CB 3.42Å; Y160-D219 HydrophobicContact CE2-CB 3.84Å
161M93.2Very high88.9Confident9 Ų944.3 Ų44.34%0.04422%0.217CC..EExtended strand (participates in β ladder)trans-136.3114.9173.5-174.9-174.4-4600111.1L166 I203 K206 I207 V217 I218 D219M161-L166 HydrophobicContact SD-CD2 4.39Å; M161-I203 HydrophobicContact SD-CG1 4.4Å; M161-I203 HydrophobicContact SD-CG2 4.19Å; M161-K206 HydrophobicContact CE-CB 3.62Å; M161-K206 HydrophobicContact CE-CG 3.29Å; M161-K206 HydrophobicContact CG-CG 4.28Å; M161-K206 HydrophobicContact SD-CB 3.95Å; M161-K206 HydrophobicContact SD-CG 3.82Å; M161-I207 HydrophobicContact CE-CG1 3.81Å; M161-V217 PolarHBondContact N-O 3.33Å; M161-I218 WeakPolarHBondContact O-CA 3.47Å; M161-D219 PolarHBondContact O-N 2.93Å
162S92.9Very high88.2Confident15 Ų1548.5 Ų48.511%0.10524%0.24CC..EExtended strand (participates in β ladder)trans-93115.5167.1-170.80000111.2Y160 G164 E165 L166 D219Y160-S162 WeakPolarHBondContact OH-CB 3.42Å; S162-G164 VanDerWaalsContact C-N 3.3Å; S162-G164 PolarHBondContact O-N 3.41Å; S162-E165 PolarHBondContact O-N 2.71Å; S162-L166 WeakPolarHBondContact O-CB 3.28Å; S162-L166 PolarHBondContact O-N 2.83Å; S162-D219 PolarHBondContact OG-OD2 3.49Å
163V91Very high87.3Confident5 Ų555.6 Ų55.63%0.0327%0.273CS..Hα-helixtrans-64.5-38.6179.8178.70000111E165 L166 L167 T199 I203 I218 D219 F221V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 3Å; V163-L166 PolarHBondContact O-N 2.77Å; V163-L167 HydrophobicContact CG1-CD1 4.22Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.88Å; V163-T199 HydrophobicContact CG1-CG2 3.4Å; V163-T199 VanDerWaalsContact CG1-CG2 3.4Å; V163-I203 HydrophobicContact CG1-CD1 4.31Å; V163-I203 HydrophobicContact CG2-CD1 3.76Å; V163-I203 HydrophobicContact CG2-CG1 3.91Å; V163-I218 HydrophobicContact CG2-CG2 3.55Å; V163-D219 PolarHBondContact N-O 3.44Å; V163-F221 HydrophobicContact CB-CB 4.12Å; V163-F221 HydrophobicContact CG1-CB 4.43Å; V163-F221 HydrophobicContact CG1-CD2 4.5Å; V163-F221 HydrophobicContact CG2-CB 3.56Å; V163-F221 HydrophobicContact CG2-CG 4.19Å
164G86.7Confident86.4Confident7 Ų756.9 Ų56.97%0.07228%0.279CS..Hα-helixtrans-63.6-38.2176.900000112.9S162 R168S162-G164 VanDerWaalsContact C-N 3.3Å; S162-G164 PolarHBondContact O-N 3.41Å; G164-R168 VanDerWaalsContact C-NH2 3.27Å; G164-R168 WeakPolarHBondContact O-CG 2.99Å; G164-R168 VanDerWaalsContact O-CZ 3.24Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.17Å; G164-R168 PolarHBondContact O-NE 3.34Å; G164-R168 PolarHBondContact O-NH2 3.01Å
165E87.1Confident85Confident74 Ų7451.2 Ų51.235%0.34626%0.258SS..Hα-helixtrans-74.1-39.1177.3-165.4-178.2158.300112.1S162 V163 L167 R168 K169S162-E165 PolarHBondContact O-N 2.71Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E165 PolarHBondContact O-N 3Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.78Å; E165-R168 PolarHBondContact O-N 3.02Å; E165-K169 HydrophobicContact CG-CD 4.36Å; E165-K169 WeakPolarHBondContact O-CG 3.3Å; E165-K169 PolarHBondContact O-N 3.08Å; E165-K169 WeakPolarHBondContact OE1-CE 3.41Å; E165-K169 IonicContact OE1-NZ 3.01Å; E165-K169 PolarHBondContact OE1-NZ 2.91Å
166L87.9Confident83.7Confident27 Ų2754.4 Ų54.414%0.14129%0.286CS..Hα-helixtrans-55.4-49.9174.6-179.362.4000111.2M161 S162 V163 K169 K170 E202 K206M161-L166 HydrophobicContact SD-CD2 4.39Å; S162-L166 WeakPolarHBondContact O-CB 3.28Å; S162-L166 PolarHBondContact O-N 2.83Å; V163-L166 PolarHBondContact O-N 2.77Å; L166-K169 PolarHBondContact O-N 2.89Å; L166-K170 PolarHBondContact O-N 3.44Å; L166-E202 HydrophobicContact CD2-CB 3.83Å; L166-E202 HydrophobicContact CG-CB 4.35Å; L166-K206 HydrophobicContact CD2-CB 4.34Å
167L86.6Confident82.6Confident9 Ų957.4 Ų57.45%0.04731%0.313CS..Hα-helixtrans-64.9-40.9178.1-66.7175.7000112.2V163 E165 K170 M171 W181 I188 A194 T199 E202V163-L167 HydrophobicContact CG1-CD1 4.22Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.88Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.78Å; L167-K170 PolarHBondContact O-N 2.94Å; L167-M171 VanDerWaalsContact O-CB 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.45Å; L167-M171 PolarHBondContact O-N 3.18Å; L167-W181 HydrophobicContact CD2-CH2 4.16Å; L167-W181 HydrophobicContact CD2-CZ3 4.16Å; L167-I188 HydrophobicContact CB-CD1 4.1Å; L167-I188 HydrophobicContact CD1-CD1 4.42Å; L167-A194 HydrophobicContact CD1-CB 3.62Å; L167-T199 HydrophobicContact CD1-CG2 4.5Å; L167-E202 HydrophobicContact CD2-CG 4.3Å
168R84.9Confident82.1Confident39 Ų3957.3 Ų57.315%0.14730%0.298CS..Hα-helixtrans-64.1-40176.2-77.8-175.7-67.9-96.6-6.3112.5G164 E165 M171 I172 D266G164-R168 VanDerWaalsContact C-NH2 3.27Å; G164-R168 WeakPolarHBondContact O-CG 2.99Å; G164-R168 VanDerWaalsContact O-CZ 3.24Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.17Å; G164-R168 PolarHBondContact O-NE 3.34Å; G164-R168 PolarHBondContact O-NH2 3.01Å; E165-R168 PolarHBondContact O-N 3.02Å; R168-M171 WeakPolarHBondContact O-CB 3.17Å; R168-M171 PolarHBondContact O-N 3.39Å; R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.32Å; R168-D266 IonicContact NH1-OD1 2.65Å; R168-D266 IonicContact NH1-OD2 3.81Å
169K84.8Confident81.4Confident125 Ų12567.4 Ų67.454%0.54334%0.336SS..Hα-helixtrans-63.4-47.1175.7-76.4177.2179.6166.60111.4E165 L166 M171 I172 H173E165-K169 HydrophobicContact CG-CD 4.36Å; E165-K169 WeakPolarHBondContact O-CG 3.3Å; E165-K169 PolarHBondContact O-N 3.08Å; E165-K169 WeakPolarHBondContact OE1-CE 3.41Å; E165-K169 IonicContact OE1-NZ 3.01Å; E165-K169 PolarHBondContact OE1-NZ 2.91Å; L166-K169 PolarHBondContact O-N 2.89Å; K169-M171 VanDerWaalsContact C-N 3.31Å; K169-M171 PolarHBondContact O-N 3.3Å; K169-I172 PolarHBondContact O-N 2.84Å; K169-H173 WeakPolarHBondContact O-CB 3.45Å; K169-H173 PolarHBondContact O-N 3.42Å
170K82.1Confident80.7Confident53 Ų5368.1 Ų68.123%0.2334%0.337CS..Hα-helixtrans-62.5-38.4175.8-74.5-72.7-174.7107.10112.1L166 L167 H173 N174 W181 E202L166-K170 PolarHBondContact O-N 3.44Å; L167-K170 PolarHBondContact O-N 2.94Å; K170-H173 PolarHBondContact O-N 2.73Å; K170-N174 VanDerWaalsContact O-CB 3.26Å; K170-N174 WeakPolarHBondContact O-CB 3.47Å; K170-N174 PolarHBondContact O-N 3.13Å; K170-W181 HydrophobicContact CB-CD2 4.37Å; K170-W181 HydrophobicContact CB-CE3 3.99Å; K170-W181 HydrophobicContact CB-CH2 3.43Å; K170-W181 VanDerWaalsContact CB-CH2 3.43Å; K170-W181 HydrophobicContact CB-CZ2 3.85Å; K170-W181 HydrophobicContact CB-CZ3 3.51Å; K170-W181 HydrophobicContact CD-CZ2 4.41Å; K170-W181 HydrophobicContact CG-CH2 3.95Å; K170-W181 HydrophobicContact CG-CZ2 4.21Å; K170-W181 HydrophobicContact CG-CZ3 4.48Å; K170-E202 WeakPolarHBondContact CE-OE2 3.35Å; K170-E202 IonicContact NZ-OE1 2.81Å; K170-E202 PolarHBondContact NZ-OE1 3.1Å; K170-E202 IonicContact NZ-OE2 2.74Å; K170-E202 PolarHBondContact NZ-OE2 3.13Å
171M81.5Confident80.1Confident22 Ų2266 Ų6611%0.10833%0.329CS..Hα-helixtrans-61.1-49.4175-171-171.485.500111.7L167 R168 K169 H173 A175 A185L167-M171 VanDerWaalsContact O-CB 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.45Å; L167-M171 PolarHBondContact O-N 3.18Å; R168-M171 WeakPolarHBondContact O-CB 3.17Å; R168-M171 PolarHBondContact O-N 3.39Å; K169-M171 VanDerWaalsContact C-N 3.31Å; K169-M171 PolarHBondContact O-N 3.3Å; M171-H173 VanDerWaalsContact C-N 3.31Å; M171-H173 PolarHBondContact O-N 2.82Å; M171-A175 WeakPolarHBondContact O-CA 3.37Å; M171-A175 WeakPolarHBondContact O-CB 3.11Å; M171-A175 PolarHBondContact O-N 2.93Å; M171-A185 HydrophobicContact CE-CB 4.45Å; M171-A185 HydrophobicContact CG-CB 3.37Å; M171-A185 WeakPolarHBondContact SD-CA 3.15Å; M171-A185 HydrophobicContact SD-CB 3.31Å; M171-A185 WeakPolarHBondContact SD-CB 3.43Å
172I77.5Confident79.5Confident131 Ų13167.6 Ų67.667%0.67234%0.341SS*.Hα-helixtrans-63.3-39.8179.1-66.9166.3000111.2R168 K169R168-I172 WeakPolarHBondContact O-CG1 3.44Å; R168-I172 PolarHBondContact O-N 3.32Å; K169-I172 PolarHBondContact O-N 2.84Å
173H72.5Confident79Confident150 Ų15072 Ų7269%0.69436%0.363SS*.Hα-helixtrans-75-34.4-177.3-167.6-82000113.4K169 K170 M171K169-H173 WeakPolarHBondContact O-CB 3.45Å; K169-H173 PolarHBondContact O-N 3.42Å; K170-H173 PolarHBondContact O-N 2.73Å; M171-H173 VanDerWaalsContact C-N 3.31Å; M171-H173 PolarHBondContact O-N 2.82Å
174N72.4Confident78.7Confident34 Ų3472 Ų7218%0.18236%0.362CS..Hα-helixtrans-115.9-6.4-169.6-60.4-18.4000114.7K170 T176 S177 N178 W181K170-N174 VanDerWaalsContact O-CB 3.26Å; K170-N174 WeakPolarHBondContact O-CB 3.47Å; K170-N174 PolarHBondContact O-N 3.13Å; N174-T176 PolarHBondContact O-N 2.87Å; N174-S177 PolarHBondContact O-N 2.89Å; N174-S177 PolarHBondContact O-OG 2.76Å; N174-N178 PolarHBondContact O-N 3.32Å; N174-W181 HydrophobicContact CB-CB 4.02Å; N174-W181 HydrophobicContact CB-CD2 4.42Å; N174-W181 HydrophobicContact CB-CG 3.72Å
175A61.3Low78.5Confident34 Ų3472.3 Ų72.328%0.28137%0.365SS..THydrogen-bonded Turntrans-64.3-25.3-176.100000113.7M171M171-A175 WeakPolarHBondContact O-CA 3.37Å; M171-A175 WeakPolarHBondContact O-CB 3.11Å; M171-A175 PolarHBondContact O-N 2.93Å
176T58.9Low78.4Confident139 Ų13975.1 Ų75.185%0.85338%0.376SS*.THydrogen-bonded Turntrans-82.9-26-178.7-24.20000112.5N174N174-T176 PolarHBondContact O-N 2.87Å
177S64.2Low78.2Confident101 Ų10175.6 Ų75.671%0.70638%0.378SS*.THydrogen-bonded Turntrans-108.8-18.5-174.150.80000113.9N174N174-S177 PolarHBondContact O-N 2.89Å; N174-S177 PolarHBondContact O-OG 2.76Å
178N77.8Confident78.1Confident56 Ų5676 Ų7630%0.29938%0.38SS..  trans-130.2118.1-174.2-169.9-37.5000112.9N174 K180 W181 S182N174-N178 PolarHBondContact O-N 3.32Å; N178-K180 PolarHBondContact O-N 3.45Å; N178-K180 WeakPolarHBondContact OD1-CB 3.29Å; N178-K180 PolarHBondContact OD1-N 2.9Å; N178-W181 HydrophobicContact CB-CB 4.43Å; N178-W181 PolarHBondContact O-N 3.06Å; N178-W181 VanDerWaalsContact O-N 3.12Å; N178-S182 PolarHBondContact O-N 2.82Å; N178-S182 VanDerWaalsContact O-N 3.1Å
179R78.7Confident78Confident230 Ų23076.4 Ų76.487%0.86839%0.387SS*.Hα-helixtrans-56.7-34.1179.5-173177.6177.2-178.5-0.7113.1S182 L183R179-S182 PolarHBondContact O-N 3.03Å; R179-L183 PolarHBondContact O-N 3.29Å; R179-L183 VanDerWaalsContact O-N 3.13Å
180K79.4Confident78Confident111 Ų11174.1 Ų74.148%0.48338%0.381SS..Hα-helixtrans-61.8-49.5176.4-178-177.8174.9178.70110.8N178 S182 L183 I184 T198N178-K180 PolarHBondContact O-N 3.45Å; N178-K180 WeakPolarHBondContact OD1-CB 3.29Å; N178-K180 PolarHBondContact OD1-N 2.9Å; K180-S182 VanDerWaalsContact C-N 3.32Å; K180-S182 PolarHBondContact O-N 3.41Å; K180-L183 PolarHBondContact O-N 3.32Å; K180-I184 HydrophobicContact CG-CD1 3.99Å; K180-I184 WeakPolarHBondContact O-CG1 3.42Å; K180-I184 PolarHBondContact O-N 2.97Å; K180-T198 WeakPolarHBondContact CE-OG1 3.33Å; K180-T198 PolarHBondContact NZ-OG1 2.92Å
181W81.8Confident78Confident15 Ų1571.8 Ų71.86%0.05737%0.372CS..Hα-helixtrans-68.3-31.8-179.7-74.7106.3000112.6L167 K170 N174 N178 I184 A185 T198 E202L167-W181 HydrophobicContact CD2-CH2 4.16Å; L167-W181 HydrophobicContact CD2-CZ3 4.16Å; K170-W181 HydrophobicContact CB-CD2 4.37Å; K170-W181 HydrophobicContact CB-CE3 3.99Å; K170-W181 HydrophobicContact CB-CH2 3.43Å; K170-W181 VanDerWaalsContact CB-CH2 3.43Å; K170-W181 HydrophobicContact CB-CZ2 3.85Å; K170-W181 HydrophobicContact CB-CZ3 3.51Å; K170-W181 HydrophobicContact CD-CZ2 4.41Å; K170-W181 HydrophobicContact CG-CH2 3.95Å; K170-W181 HydrophobicContact CG-CZ2 4.21Å; K170-W181 HydrophobicContact CG-CZ3 4.48Å; N174-W181 HydrophobicContact CB-CB 4.02Å; N174-W181 HydrophobicContact CB-CD2 4.42Å; N174-W181 HydrophobicContact CB-CG 3.72Å; N178-W181 HydrophobicContact CB-CB 4.43Å; N178-W181 PolarHBondContact O-N 3.06Å; N178-W181 VanDerWaalsContact O-N 3.12Å; W181-I184 HydrophobicContact CE3-CD1 4.17Å; W181-I184 HydrophobicContact CE3-CG2 4.43Å; W181-I184 HydrophobicContact CZ3-CD1 4.35Å; W181-I184 HydrophobicContact CZ3-CG2 4.45Å; W181-A185 WeakPolarHBondContact O-CB 3.45Å; W181-A185 PolarHBondContact O-N 3.15Å; W181-T198 HydrophobicContact CH2-CG2 3.98Å; W181-T198 HydrophobicContact CZ2-CG2 4.25Å; W181-E202 HydrophobicContact CH2-CG 3.98Å; W181-E202 HydrophobicContact CZ2-CG 4.37Å; W181-E202 VanDerWaalsContact CZ2-OE1 3.29Å; W181-E202 WeakPolarHBondContact CZ2-OE1 3.28Å
182S79.8Confident78.1Confident43 Ų4374.5 Ų74.530%0.30138%0.384SS..Hα-helixtrans-63.1-40.6170.8-172.60000112.8N178 R179 K180 A185 K186N178-S182 PolarHBondContact O-N 2.82Å; N178-S182 VanDerWaalsContact O-N 3.1Å; R179-S182 PolarHBondContact O-N 3.03Å; K180-S182 VanDerWaalsContact C-N 3.32Å; K180-S182 PolarHBondContact O-N 3.41Å; S182-A185 WeakPolarHBondContact O-CB 3.38Å; S182-A185 PolarHBondContact O-N 3.19Å; S182-K186 PolarHBondContact O-N 2.84Å
183L83.1Confident78.5Confident106 Ų10670.4 Ų70.456%0.55536%0.363SS*.Hα-helixtrans-68.6-45.4176.4-176.264.1000111.6R179 K180 A185 K186 I187R179-L183 PolarHBondContact O-N 3.29Å; R179-L183 VanDerWaalsContact O-N 3.13Å; K180-L183 PolarHBondContact O-N 3.32Å; L183-A185 PolarHBondContact O-N 3.2Å; L183-K186 WeakPolarHBondContact O-CB 3.41Å; L183-K186 PolarHBondContact O-N 3Å; L183-K186 VanDerWaalsContact O-N 3.11Å; L183-I187 HydrophobicContact CG-CD1 4.21Å; L183-I187 WeakPolarHBondContact O-CG1 3.25Å; L183-I187 PolarHBondContact O-N 3.19Å; L183-I187 VanDerWaalsContact O-N 3.11Å
184I83.6Confident79.1Confident5 Ų563.8 Ų63.83%0.02634%0.335CS..Hα-helixtrans-58.3-38.4176-66.5168000110.6K180 W181 K186 I187 I188 A194 P195 T198K180-I184 HydrophobicContact CG-CD1 3.99Å; K180-I184 WeakPolarHBondContact O-CG1 3.42Å; K180-I184 PolarHBondContact O-N 2.97Å; W181-I184 HydrophobicContact CE3-CD1 4.17Å; W181-I184 HydrophobicContact CE3-CG2 4.43Å; W181-I184 HydrophobicContact CZ3-CD1 4.35Å; W181-I184 HydrophobicContact CZ3-CG2 4.45Å; I184-K186 VanDerWaalsContact C-N 3.33Å; I184-K186 PolarHBondContact O-N 3.16Å; I184-I187 PolarHBondContact O-N 3.35Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.44Å; I184-I188 PolarHBondContact O-N 3.28Å; I184-A194 HydrophobicContact CG2-CB 4.48Å; I184-P195 HydrophobicContact CG1-CG 4.34Å; I184-T198 HydrophobicContact CD1-CG2 3.75Å
185A82.9Confident79.8Confident15 Ų1564.7 Ų64.712%0.12434%0.343CS..Hα-helixtrans-57.5-45.3175.900000113M171 W181 S182 L183 I188 T189M171-A185 HydrophobicContact CE-CB 4.45Å; M171-A185 HydrophobicContact CG-CB 3.37Å; M171-A185 WeakPolarHBondContact SD-CA 3.15Å; M171-A185 HydrophobicContact SD-CB 3.31Å; M171-A185 WeakPolarHBondContact SD-CB 3.43Å; W181-A185 WeakPolarHBondContact O-CB 3.45Å; W181-A185 PolarHBondContact O-N 3.15Å; S182-A185 WeakPolarHBondContact O-CB 3.38Å; S182-A185 PolarHBondContact O-N 3.19Å; L183-A185 PolarHBondContact O-N 3.2Å; A185-I188 PolarHBondContact O-N 3.45Å; A185-T189 VanDerWaalsContact O-CB 3.29Å; A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.01Å
186K84.1Confident81Confident133 Ų13366.1 Ų66.158%0.57834%0.343SS*.Hα-helixtrans-64.7-43.5178.6-67.9175.9-177.11790111.3S182 L183 I184 T189 N190S182-K186 PolarHBondContact O-N 2.84Å; L183-K186 WeakPolarHBondContact O-CB 3.41Å; L183-K186 PolarHBondContact O-N 3Å; L183-K186 VanDerWaalsContact O-N 3.11Å; I184-K186 VanDerWaalsContact C-N 3.33Å; I184-K186 PolarHBondContact O-N 3.16Å; K186-T189 PolarHBondContact O-N 3.16Å; K186-N190 WeakPolarHBondContact O-CB 3.45Å; K186-N190 PolarHBondContact O-N 2.84Å; K186-N190 PolarHBondContact O-ND2 3.48Å
187I84.8Confident82.2Confident36 Ų3666.9 Ų66.919%0.18534%0.337CS..Hα-helixtrans-59.6-50.3177.5-64.5169.4000110.3L183 I184 N190 G191 E192 L193L183-I187 HydrophobicContact CG-CD1 4.21Å; L183-I187 WeakPolarHBondContact O-CG1 3.25Å; L183-I187 PolarHBondContact O-N 3.19Å; L183-I187 VanDerWaalsContact O-N 3.11Å; I184-I187 PolarHBondContact O-N 3.35Å; I187-N190 WeakPolarHBondContact O-CB 2.88Å; I187-N190 PolarHBondContact O-N 3.04Å; I187-G191 PolarHBondContact O-N 3.37Å; I187-E192 HydrophobicContact CG2-CB 3.59Å; I187-E192 WeakPolarHBondContact O-CB 3.46Å; I187-E192 PolarHBondContact O-N 2.58Å; I187-E192 VanDerWaalsContact O-N 3.08Å; I187-L193 VanDerWaalsContact CG2-O 3.32Å; I187-L193 WeakPolarHBondContact CG2-O 3.34Å
188I84.7Confident83.3Confident17 Ų1762.5 Ų62.59%0.08731%0.306CS..Hα-helixtrans-64.9-44.4-179.3-66.4173.5000111.3L167 I184 A185 N190 G191 A194 D266L167-I188 HydrophobicContact CB-CD1 4.1Å; L167-I188 HydrophobicContact CD1-CD1 4.42Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.24Å; I184-I188 WeakPolarHBondContact O-CG1 3.44Å; I184-I188 PolarHBondContact O-N 3.28Å; A185-I188 PolarHBondContact O-N 3.45Å; I188-N190 PolarHBondContact O-N 3.17Å; I188-G191 WeakPolarHBondContact O-CA 3.36Å; I188-G191 PolarHBondContact O-N 2.99Å; I188-A194 HydrophobicContact CD1-CB 4.23Å; I188-A194 HydrophobicContact CG1-CB 4.28Å; I188-D266 HydrophobicContact CG2-CB 4.29Å; I188-D266 VanDerWaalsContact O-CB 3.24Å; I188-D266 WeakPolarHBondContact O-CB 3.1Å
189T83.4Confident83.9Confident48 Ų4860 Ų6029%0.29429%0.293SS..Hα-helixtrans-60.9-31.4178.7-55.80000111.9A185 K186 G191 P265 N268A185-T189 VanDerWaalsContact O-CB 3.29Å; A185-T189 WeakPolarHBondContact O-CB 3.45Å; A185-T189 PolarHBondContact O-N 2.91Å; A185-T189 PolarHBondContact O-OG1 3.01Å; K186-T189 PolarHBondContact O-N 3.16Å; T189-G191 PolarHBondContact O-N 3.06Å; T189-P265 HydrophobicContact CG2-CB 4.45Å; T189-N268 PolarHBondContact O-ND2 3.17Å; T189-N268 VanDerWaalsContact O-ND2 3.11Å
190N83.6Confident84.3Confident78 Ų7849.1 Ų49.142%0.41725%0.252SS..THydrogen-bonded Turntrans-76.3-1.1174.4-73.9-10.5000114K186 I187 I188 E192 R274K186-N190 WeakPolarHBondContact O-CB 3.45Å; K186-N190 PolarHBondContact O-N 2.84Å; K186-N190 PolarHBondContact O-ND2 3.48Å; I187-N190 WeakPolarHBondContact O-CB 2.88Å; I187-N190 PolarHBondContact O-N 3.04Å; I188-N190 PolarHBondContact O-N 3.17Å; N190-E192 VanDerWaalsContact C-N 3.35Å; N190-R274 WeakPolarHBondContact O-CD 3.46Å; N190-R274 PolarHBondContact O-NH1 3.14Å
191G81.3Confident84.7Confident4 Ų446.8 Ų46.84%0.04125%0.247CC..THydrogen-bonded Turntrans78.815.7-178.300000114.3I187 I188 T189 R275I187-G191 PolarHBondContact O-N 3.37Å; I188-G191 WeakPolarHBondContact O-CA 3.36Å; I188-G191 PolarHBondContact O-N 2.99Å; T189-G191 PolarHBondContact O-N 3.06Å; G191-R275 WeakPolarHBondContact O-CG 3.43Å
192E85.2Confident85.1Confident79 Ų7946.7 Ų46.737%0.36925%0.248SC..PPolyproline II helixtrans-91.1163.9178.6-69167.6-150.500111.6I187 N190 R274I187-E192 HydrophobicContact CG2-CB 3.59Å; I187-E192 WeakPolarHBondContact O-CB 3.46Å; I187-E192 PolarHBondContact O-N 2.58Å; I187-E192 VanDerWaalsContact O-N 3.08Å; N190-E192 VanDerWaalsContact C-N 3.35Å; E192-R274 IonicContact OE1-NH1 3.41Å; E192-R274 PolarHBondContact OE1-NH1 2.87Å
193L84.8Confident85.6Confident44 Ų4444.7 Ų44.723%0.2323%0.233CC..PPolyproline II helixtrans-76.1135.8178.7-65.1172.8000110I187 R223 N282I187-L193 VanDerWaalsContact CG2-O 3.32Å; I187-L193 WeakPolarHBondContact CG2-O 3.34Å; L193-R223 HydrophobicContact CD1-CB 4.33Å; L193-R223 HydrophobicContact CD2-CB 3.61Å; L193-R223 HydrophobicContact CD2-CG 4.03Å; L193-N282 VanDerWaalsContact CD1-ND2 3.34Å; L193-N282 WeakPolarHBondContact CD1-ND2 3.44Å
194A86.4Confident85.8Confident11 Ų1141.3 Ų41.39%0.09121%0.214CC..PPolyproline II helixtrans-64.7151.4172.400000110.5L167 I184 I188 Q196L167-A194 HydrophobicContact CD1-CB 3.62Å; I184-A194 HydrophobicContact CG2-CB 4.48Å; I188-A194 HydrophobicContact CD1-CB 4.23Å; I188-A194 HydrophobicContact CG1-CB 4.28Å; A194-Q196 PolarHBondContact O-N 3.06Å
195P86.8Confident86Confident54 Ų5443.2 Ų43.235%0.35122%0.223SC..PPolyproline II helixtrans-54135.6177.4-26.635000112.3I184 E197 T198 T199I184-P195 HydrophobicContact CG1-CG 4.34Å; P195-E197 PolarHBondContact O-N 3.07Å; P195-T198 PolarHBondContact O-N 3.03Å; P195-T199 PolarHBondContact O-N 3.15Å; P195-T199 VanDerWaalsContact O-N 3.08Å; P195-T199 PolarHBondContact O-OG1 3.32Å
196Q86.3Confident86.3Confident63 Ų6346.9 Ų46.929%0.29424%0.236SC..Hα-helixtrans-57-52.6-175.5174.3175.8-16.100112.4A194 T198 T199 I200 G226 Q227 S230A194-Q196 PolarHBondContact O-N 3.06Å; Q196-T198 VanDerWaalsContact C-N 3.32Å; Q196-T198 PolarHBondContact O-N 3.42Å; Q196-T199 WeakPolarHBondContact O-CB 3.4Å; Q196-T199 PolarHBondContact O-N 3.47Å; Q196-I200 WeakPolarHBondContact O-CG1 3.25Å; Q196-I200 PolarHBondContact O-N 2.75Å; Q196-G226 PolarHBondContact NE2-O 2.97Å; Q196-Q227 HydrophobicContact CB-CG 4.27Å; Q196-Q227 HydrophobicContact CG-CG 4Å; Q196-S230 PolarHBondContact NE2-OG 3.46Å
197E84.1Confident86.5Confident155 Ų15540.7 Ų40.772%0.72421%0.209SC*.Hα-helixtrans-54.7-47.3-179.7-67.3175.1-179.600111.8P195 T199 I200 T201P195-E197 PolarHBondContact O-N 3.07Å; E197-T199 VanDerWaalsContact C-N 3.3Å; E197-T199 PolarHBondContact O-N 3.23Å; E197-I200 PolarHBondContact O-N 3.24Å; E197-T201 PolarHBondContact O-N 2.96Å; E197-T201 PolarHBondContact O-OG1 2.97Å
198T87Confident86.6Confident9 Ų942.4 Ų42.46%0.05522%0.217CC..Hα-helixtrans-65.8-36.4-179.4-56.80000111.6K180 W181 I184 P195 Q196 E202K180-T198 WeakPolarHBondContact CE-OG1 3.33Å; K180-T198 PolarHBondContact NZ-OG1 2.92Å; W181-T198 HydrophobicContact CH2-CG2 3.98Å; W181-T198 HydrophobicContact CZ2-CG2 4.25Å; I184-T198 HydrophobicContact CD1-CG2 3.75Å; P195-T198 PolarHBondContact O-N 3.03Å; Q196-T198 VanDerWaalsContact C-N 3.32Å; Q196-T198 PolarHBondContact O-N 3.42Å; T198-E202 WeakPolarHBondContact O-CB 3.37Å; T198-E202 VanDerWaalsContact O-CG 3.25Å; T198-E202 WeakPolarHBondContact O-CG 3.42Å; T198-E202 PolarHBondContact O-N 3.31Å; T198-E202 VanDerWaalsContact O-N 3.15Å
199T89.6Confident86.6Confident4 Ų448.8 Ų48.83%0.02525%0.245CC..Hα-helixtrans-66.4-44.9178.3-54.30000111.2V163 L167 P195 Q196 E197 E202 I203 F221V163-T199 HydrophobicContact CG1-CG2 3.4Å; V163-T199 VanDerWaalsContact CG1-CG2 3.4Å; L167-T199 HydrophobicContact CD1-CG2 4.5Å; P195-T199 PolarHBondContact O-N 3.15Å; P195-T199 VanDerWaalsContact O-N 3.08Å; P195-T199 PolarHBondContact O-OG1 3.32Å; Q196-T199 WeakPolarHBondContact O-CB 3.4Å; Q196-T199 PolarHBondContact O-N 3.47Å; E197-T199 VanDerWaalsContact C-N 3.3Å; E197-T199 PolarHBondContact O-N 3.23Å; T199-E202 PolarHBondContact O-N 3.1Å; T199-I203 HydrophobicContact CG2-CD1 4.08Å; T199-I203 VanDerWaalsContact O-CG1 3.27Å; T199-I203 WeakPolarHBondContact O-CG1 3.35Å; T199-I203 PolarHBondContact O-N 2.89Å; T199-I203 VanDerWaalsContact O-N 3.09Å; T199-F221 HydrophobicContact CG2-CD2 3.76Å; T199-F221 HydrophobicContact CG2-CE2 3.87Å
200I88.6Confident86.7Confident1 Ų148.3 Ų48.31%0.00524%0.24CC..Hα-helixtrans-64.1-46177.5-64.4-68000111.3Q196 E197 E202 I203 K204 F221 F231 Q234 I235Q196-I200 WeakPolarHBondContact O-CG1 3.25Å; Q196-I200 PolarHBondContact O-N 2.75Å; E197-I200 PolarHBondContact O-N 3.24Å; I200-E202 VanDerWaalsContact C-N 3.3Å; I200-E202 PolarHBondContact O-N 2.98Å; I200-I203 PolarHBondContact O-N 3.39Å; I200-K204 WeakPolarHBondContact O-CB 3.23Å; I200-K204 PolarHBondContact O-N 3.09Å; I200-F221 HydrophobicContact CD1-CE1 4.38Å; I200-F221 HydrophobicContact CD1-CE2 4.09Å; I200-F221 HydrophobicContact CD1-CZ 3.49Å; I200-F221 VanDerWaalsContact CD1-CZ 3.49Å; I200-F231 HydrophobicContact CD1-CB 3.98Å; I200-F231 HydrophobicContact CD1-CD2 4.44Å; I200-Q234 HydrophobicContact CG2-CB 4.18Å; I200-Q234 VanDerWaalsContact CG2-OE1 3.29Å; I200-I235 HydrophobicContact CG2-CD1 4.24Å
201T88Confident86.4Confident63 Ų6348.6 Ų48.639%0.38725%0.246SC..Hα-helixtrans-57.7-43.6178.4-53.50000111.6E197 K204 Q205E197-T201 PolarHBondContact O-N 2.96Å; E197-T201 PolarHBondContact O-OG1 2.97Å; T201-K204 PolarHBondContact O-N 3.47Å; T201-Q205 WeakPolarHBondContact O-CB 3.4Å; T201-Q205 WeakPolarHBondContact O-CG 3.29Å; T201-Q205 PolarHBondContact O-N 3.23Å
202E88.4Confident86.3Confident13 Ų1354.1 Ų54.16%0.06127%0.274CS..Hα-helixtrans-67.3-39.3179.4-72-66.9155.400112.5L166 L167 K170 W181 T198 T199 I200 K206L166-E202 HydrophobicContact CD2-CB 3.83Å; L166-E202 HydrophobicContact CG-CB 4.35Å; L167-E202 HydrophobicContact CD2-CG 4.3Å; K170-E202 WeakPolarHBondContact CE-OE2 3.35Å; K170-E202 IonicContact NZ-OE1 2.81Å; K170-E202 PolarHBondContact NZ-OE1 3.1Å; K170-E202 IonicContact NZ-OE2 2.74Å; K170-E202 PolarHBondContact NZ-OE2 3.13Å; W181-E202 HydrophobicContact CH2-CG 3.98Å; W181-E202 HydrophobicContact CZ2-CG 4.37Å; W181-E202 VanDerWaalsContact CZ2-OE1 3.29Å; W181-E202 WeakPolarHBondContact CZ2-OE1 3.28Å; T198-E202 WeakPolarHBondContact O-CB 3.37Å; T198-E202 VanDerWaalsContact O-CG 3.25Å; T198-E202 WeakPolarHBondContact O-CG 3.42Å; T198-E202 PolarHBondContact O-N 3.31Å; T198-E202 VanDerWaalsContact O-N 3.15Å; T199-E202 PolarHBondContact O-N 3.1Å; I200-E202 VanDerWaalsContact C-N 3.3Å; I200-E202 PolarHBondContact O-N 2.98Å; E202-K206 WeakPolarHBondContact O-CB 3.48Å; E202-K206 PolarHBondContact O-N 2.84Å
203I90.7Very high86.3Confident0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-62.8-48.3173.3-65.3165.7000109.7M161 V163 T199 I200 Q205 K206 I207 I218 F221 F231 I235M161-I203 HydrophobicContact SD-CG1 4.4Å; M161-I203 HydrophobicContact SD-CG2 4.19Å; V163-I203 HydrophobicContact CG1-CD1 4.31Å; V163-I203 HydrophobicContact CG2-CD1 3.76Å; V163-I203 HydrophobicContact CG2-CG1 3.91Å; T199-I203 HydrophobicContact CG2-CD1 4.08Å; T199-I203 VanDerWaalsContact O-CG1 3.27Å; T199-I203 WeakPolarHBondContact O-CG1 3.35Å; T199-I203 PolarHBondContact O-N 2.89Å; T199-I203 VanDerWaalsContact O-N 3.09Å; I200-I203 PolarHBondContact O-N 3.39Å; I203-Q205 PolarHBondContact O-N 2.87Å; I203-K206 PolarHBondContact O-N 3.34Å; I203-K206 VanDerWaalsContact O-N 3.1Å; I203-I207 HydrophobicContact CG2-CD1 3.7Å; I203-I207 HydrophobicContact CG2-CG1 4.28Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 3.19Å; I203-I218 HydrophobicContact CG2-CD1 4.12Å; I203-F221 HydrophobicContact CD1-CD1 3.93Å; I203-F221 HydrophobicContact CD1-CD2 3.81Å; I203-F221 HydrophobicContact CD1-CE1 4.09Å; I203-F221 HydrophobicContact CD1-CE2 3.93Å; I203-F221 HydrophobicContact CD1-CG 3.82Å; I203-F221 HydrophobicContact CD1-CZ 4.09Å; I203-F231 HydrophobicContact CG2-CE2 4.08Å; I203-I235 HydrophobicContact CB-CD1 4.23Å; I203-I235 HydrophobicContact CG2-CD1 3.79Å
204K88.4Confident86.3Confident36 Ų3655.3 Ų55.316%0.15729%0.286CS..Hα-helixtrans-55.1-52.5178-175.3172.8178.31720111.3Y122 V124 I200 T201 K206 I207 M208 I235Y122-K204 WeakPolarHBondContact O-CE 3.31Å; Y122-K204 PolarHBondContact O-NZ 3.47Å; V124-K204 HydrophobicContact CG2-CD 3.96Å; V124-K204 HydrophobicContact CG2-CG 3.81Å; I200-K204 WeakPolarHBondContact O-CB 3.23Å; I200-K204 PolarHBondContact O-N 3.09Å; T201-K204 PolarHBondContact O-N 3.47Å; K204-K206 VanDerWaalsContact C-N 3.25Å; K204-K206 PolarHBondContact O-N 2.7Å; K204-I207 PolarHBondContact O-N 2.97Å; K204-M208 HydrophobicContact CG-SD 4.1Å; K204-M208 VanDerWaalsContact O-CG 3.31Å; K204-M208 WeakPolarHBondContact O-CG 3.47Å; K204-M208 PolarHBondContact O-N 3.12Å; K204-I235 HydrophobicContact CB-CD1 4.34Å
205Q86.9Confident86.5Confident45 Ų4554.8 Ų54.821%0.2128%0.282CS..Hα-helixtrans-58.8-35.3177.5-75.7-174.8-9.600112.9E117 T201 I203 K209E117-Q205 PolarHBondContact OE2-NE2 3.21Å; E117-Q205 VanDerWaalsContact OE2-NE2 3.13Å; T201-Q205 WeakPolarHBondContact O-CB 3.4Å; T201-Q205 WeakPolarHBondContact O-CG 3.29Å; T201-Q205 PolarHBondContact O-N 3.23Å; I203-Q205 PolarHBondContact O-N 2.87Å; Q205-K209 WeakPolarHBondContact O-CG 3.05Å
206K89Confident86.9Confident91 Ų9152.3 Ų52.340%0.39627%0.266SS..Hα-helixtrans-74.8-38.4179.5-173.464.7176.1169.90111.8M161 L166 E202 I203 K204 K209M161-K206 HydrophobicContact CE-CB 3.62Å; M161-K206 HydrophobicContact CE-CG 3.29Å; M161-K206 HydrophobicContact CG-CG 4.28Å; M161-K206 HydrophobicContact SD-CB 3.95Å; M161-K206 HydrophobicContact SD-CG 3.82Å; L166-K206 HydrophobicContact CD2-CB 4.34Å; E202-K206 WeakPolarHBondContact O-CB 3.48Å; E202-K206 PolarHBondContact O-N 2.84Å; I203-K206 PolarHBondContact O-N 3.34Å; I203-K206 VanDerWaalsContact O-N 3.1Å; K204-K206 VanDerWaalsContact C-N 3.25Å; K204-K206 PolarHBondContact O-N 2.7Å; K206-K209 PolarHBondContact O-N 3.34Å
207I88.9Confident87.4Confident3 Ų349.3 Ų49.32%0.01525%0.252CS..Hα-helixtrans-66-42.5176.1-66.1174.4000110.9V124 F125 M161 I203 K204 K209 I210 I216 I235V124-I207 HydrophobicContact CG1-CB 4.09Å; V124-I207 HydrophobicContact CG1-CG2 3.55Å; F125-I207 HydrophobicContact CD1-CG2 4.36Å; F125-I207 HydrophobicContact CE1-CG2 3.54Å; F125-I207 HydrophobicContact CZ-CG2 3.91Å; M161-I207 HydrophobicContact CE-CG1 3.81Å; I203-I207 HydrophobicContact CG2-CD1 3.7Å; I203-I207 HydrophobicContact CG2-CG1 4.28Å; I203-I207 WeakPolarHBondContact O-CG1 3.39Å; I203-I207 PolarHBondContact O-N 3.19Å; K204-I207 PolarHBondContact O-N 2.97Å; I207-K209 PolarHBondContact O-N 3.35Å; I207-I210 CarbonylContact O-C 3.59Å; I207-I210 WeakPolarHBondContact O-CG1 3.5Å; I207-I210 PolarHBondContact O-N 2.99Å; I207-I216 HydrophobicContact CD1-CD1 4.43Å; I207-I216 HydrophobicContact CG1-CD1 4.1Å; I207-I216 HydrophobicContact CG2-CD1 3.87Å; I207-I235 HydrophobicContact CD1-CG2 3.91Å
208M85.7Confident87.9Confident72 Ų7241.9 Ų41.936%0.35522%0.217SC..Hα-helixtrans-60.1-22177.3-69.7175.373.400113.6Y122 K204 I210Y122-M208 HydrophobicContact CD1-CE 4.26Å; Y122-M208 HydrophobicContact CD2-CE 3.8Å; Y122-M208 HydrophobicContact CG-CE 3.61Å; K204-M208 HydrophobicContact CG-SD 4.1Å; K204-M208 VanDerWaalsContact O-CG 3.31Å; K204-M208 WeakPolarHBondContact O-CG 3.47Å; K204-M208 PolarHBondContact O-N 3.12Å; M208-I210 VanDerWaalsContact C-N 3.33Å
209K86.3Confident88.2Confident152 Ų15242.1 Ų42.166%0.66122%0.218SC*.THydrogen-bonded Turntrans-83.6-4.9176.4-69.1174.7-175.9-176.40113.9Q205 K206 I207 P211Q205-K209 WeakPolarHBondContact O-CG 3.05Å; K206-K209 PolarHBondContact O-N 3.34Å; I207-K209 PolarHBondContact O-N 3.35Å; K209-P211 VanDerWaalsContact C-CD 3.42Å
210I85.7Confident88Confident37 Ų3742.2 Ų42.219%0.1922%0.22CC..  trans-128.857.5-179.553.7170.5000111.6Q159 I207 M208 D212 A213 I216Q159-I210 HydrophobicContact CB-CD1 3.74Å; Q159-I210 HydrophobicContact CG-CD1 4.01Å; I207-I210 CarbonylContact O-C 3.59Å; I207-I210 WeakPolarHBondContact O-CG1 3.5Å; I207-I210 PolarHBondContact O-N 2.99Å; M208-I210 VanDerWaalsContact C-N 3.33Å; I210-D212 PolarHBondContact O-N 2.99Å; I210-A213 HydrophobicContact CB-CB 4.42Å; I210-A213 HydrophobicContact CD1-CB 4.4Å; I210-A213 PolarHBondContact O-N 3.27Å; I210-I216 HydrophobicContact CD1-CD1 4.15Å; I210-I216 HydrophobicContact CD1-CG1 4.28Å
211P76.3Confident88.2Confident85 Ų8542.2 Ų42.255%0.55222%0.22SC*.THydrogen-bonded Turntrans-66.9-18.2-174.630.1-37.2000114.1K209K209-P211 VanDerWaalsContact C-CD 3.42Å
212D80.1Confident88.5Confident119 Ų11939.4 Ų39.464%0.63620%0.202SC*.THydrogen-bonded Turntrans-97.19.2-178.1-55.4-51.2000113.3R129 I210R129-D212 IonicContact CZ-OD1 3.09Å; R129-D212 IonicContact NH1-OD1 3.83Å; R129-D212 PolarHBondContact NH1-OD1 3.03Å; R129-D212 IonicContact NH2-OD1 3.87Å; I210-D212 PolarHBondContact O-N 2.99Å
213A84.9Confident88.6Confident18 Ų1842.8 Ų42.815%0.14922%0.215CC..  trans-70.2134.7-178.900000111.4P132 Q159 I210 G215 I216P132-A213 WeakPolarHBondContact CB-O 3.23Å; Q159-A213 HydrophobicContact CB-CB 4.4Å; Q159-A213 HydrophobicContact CG-CB 3.86Å; I210-A213 HydrophobicContact CB-CB 4.42Å; I210-A213 HydrophobicContact CD1-CB 4.4Å; I210-A213 PolarHBondContact O-N 3.27Å; A213-G215 VanDerWaalsContact C-N 3.35Å; A213-I216 HydrophobicContact CB-CG1 4.31Å
214N84.7Confident88.5Confident131 Ų13144.4 Ų44.470%0.70122%0.223SC*.SBendtrans-77.4-24173.3-68.1-28.2000112.5K133K133-N214 PolarHBondContact N-O 3.4Å
215G90.9Very high88.6Confident0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-165.9163.7174.800000111.9K133 F158 Q159 A213K133-G215 CarbonylContact O-C 3.42Å; K133-G215 WeakPolarHBondContact O-CA 3.46Å; F158-G215 WeakPolarHBondContact CA-O 2.97Å; F158-G215 VanDerWaalsContact CD1-CA 3.44Å; Q159-G215 PolarHBondContact N-O 3.22Å; A213-G215 VanDerWaalsContact C-N 3.35Å
216I94.5Very high88.7Confident1 Ų143.6 Ų43.61%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-136.2127.2-173.3-53.5176.8000108.4F125 P132 K133 I135 Q159 I207 I210 A213 I218F125-I216 HydrophobicContact CE1-CD1 4.22Å; P132-I216 HydrophobicContact CB-CD1 4.38Å; P132-I216 HydrophobicContact CB-CG1 4.26Å; P132-I216 HydrophobicContact CG-CD1 4.08Å; P132-I216 HydrophobicContact CG-CG1 4.49Å; K133-I216 PolarHBondContact O-N 3.4Å; I135-I216 PolarHBondContact N-O 3.12Å; Q159-I216 WeakPolarHBondContact O-CA 3.39Å; I207-I216 HydrophobicContact CD1-CD1 4.43Å; I207-I216 HydrophobicContact CG1-CD1 4.1Å; I207-I216 HydrophobicContact CG2-CD1 3.87Å; I210-I216 HydrophobicContact CD1-CD1 4.15Å; I210-I216 HydrophobicContact CD1-CG1 4.28Å; A213-I216 HydrophobicContact CB-CG1 4.31Å; I216-I218 HydrophobicContact CG2-CD1 4.43Å; I216-I218 HydrophobicContact CG2-CG1 3.91Å
217V96Very high88.8Confident0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-109.2117.2173.9-175.10000108.6I135 V137 I152 A153 F158 Q159 M161I135-V217 HydrophobicContact CD1-CG2 4.39Å; I135-V217 WeakPolarHBondContact O-CA 3.14Å; V137-V217 HydrophobicContact CG2-CG1 3.85Å; I152-V217 HydrophobicContact CB-CG2 4.36Å; I152-V217 HydrophobicContact CG2-CG2 3.7Å; A153-V217 HydrophobicContact CB-CG2 4.4Å; F158-V217 HydrophobicContact CB-CG2 3.89Å; F158-V217 HydrophobicContact CD2-CG2 3.93Å; F158-V217 HydrophobicContact CG-CG2 4.45Å; Q159-V217 PolarHBondContact O-N 2.94Å; M161-V217 PolarHBondContact N-O 3.33Å
218I95.7Very high88.9Confident0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-105.1112.1-178.8-52.5-176.9000109.4V134 I135 L136 V137 M161 V163 I203 I216 F221 F231V134-I218 HydrophobicContact CG1-CD1 4.34Å; I135-I218 PolarHBondContact O-N 3.4Å; L136-I218 HydrophobicContact CD2-CB 3.78Å; L136-I218 HydrophobicContact CD2-CD1 3.8Å; L136-I218 HydrophobicContact CD2-CG1 4.08Å; L136-I218 HydrophobicContact CD2-CG2 4.45Å; V137-I218 PolarHBondContact N-O 3.05Å; M161-I218 WeakPolarHBondContact O-CA 3.47Å; V163-I218 HydrophobicContact CG2-CG2 3.55Å; I203-I218 HydrophobicContact CG2-CD1 4.12Å; I216-I218 HydrophobicContact CG2-CD1 4.43Å; I216-I218 HydrophobicContact CG2-CG1 3.91Å; I218-F221 HydrophobicContact CG2-CB 4.01Å; I218-F221 HydrophobicContact CG2-CD1 4.36Å; I218-F231 HydrophobicContact CD1-CE2 3.66Å; I218-F231 HydrophobicContact CD1-CZ 3.74Å
219D93.8Very high89Confident13 Ų1340 Ų407%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-88.9130.2178.7165.941.9000112.2K145 Y160 M161 S162 V163K145-D219 WeakPolarHBondContact CB-OD1 3.41Å; Y160-D219 HydrophobicContact CE2-CB 3.84Å; M161-D219 PolarHBondContact O-N 2.93Å; S162-D219 PolarHBondContact OG-OD2 3.49Å; V163-D219 PolarHBondContact N-O 3.44Å
220G85.5Confident89.2Confident7 Ų733.9 Ų33.97%0.07219%0.192CC..SBendtrans79.423.5165.400000113.8V137 R223V137-G220 PolarHBondContact O-N 3.17Å; G220-R223 WeakPolarHBondContact O-CG 3.17Å; G220-R223 PolarHBondContact O-NE 2.99Å
221F92.5Very high89.5Confident1 Ų132.2 Ų32.20%0.00418%0.184CC..  trans-148146.1177.6178.2-83.7000109.5V163 T199 I200 I203 I218 Q227 F231V163-F221 HydrophobicContact CB-CB 4.12Å; V163-F221 HydrophobicContact CG1-CB 4.43Å; V163-F221 HydrophobicContact CG1-CD2 4.5Å; V163-F221 HydrophobicContact CG2-CB 3.56Å; V163-F221 HydrophobicContact CG2-CG 4.19Å; T199-F221 HydrophobicContact CG2-CD2 3.76Å; T199-F221 HydrophobicContact CG2-CE2 3.87Å; I200-F221 HydrophobicContact CD1-CE1 4.38Å; I200-F221 HydrophobicContact CD1-CE2 4.09Å; I200-F221 HydrophobicContact CD1-CZ 3.49Å; I200-F221 VanDerWaalsContact CD1-CZ 3.49Å; I203-F221 HydrophobicContact CD1-CD1 3.93Å; I203-F221 HydrophobicContact CD1-CD2 3.81Å; I203-F221 HydrophobicContact CD1-CE1 4.09Å; I203-F221 HydrophobicContact CD1-CE2 3.93Å; I203-F221 HydrophobicContact CD1-CG 3.82Å; I203-F221 HydrophobicContact CD1-CZ 4.09Å; I218-F221 HydrophobicContact CG2-CB 4.01Å; I218-F221 HydrophobicContact CG2-CD1 4.36Å; F221-Q227 HydrophobicContact CE2-CB 3.69Å; F221-Q227 HydrophobicContact CE2-CG 3.99Å; F221-Q227 HydrophobicContact CZ-CB 3.84Å; F221-Q227 WeakPolarHBondContact CZ-O 3.5Å; F221-F231 HydrophobicContact CD1-CD2 4.34Å; F221-F231 HydrophobicContact CE1-CB 3.71Å; F221-F231 AromaticContact CE1-CD2 3.54Å; F221-F231 HydrophobicContact CE1-CD2 3.54Å; F221-F231 HydrophobicContact CE1-CE2 4.41Å; F221-F231 AromaticContact CE1-CG 3.76Å; F221-F231 HydrophobicContact CE1-CG 3.76Å; F221-F231 HydrophobicContact CZ-CB 3.98Å; F221-F231 HydrophobicContact CZ-CD2 4.23Å; F221-F231 HydrophobicContact CZ-CG 4.44Å
222P93.1Very high90.1Very high3 Ų329.5 Ų29.52%0.01916%0.164CC..  cis-72.2160.4-9.229.4-36.9000112I138 Q227 A228 L286 F290I138-P222 HydrophobicContact CG2-CG 4.42Å; I138-P222 WeakPolarHBondContact CG2-O 3.48Å; P222-Q227 HydrophobicContact CB-CB 3.71Å; P222-A228 HydrophobicContact CB-CB 4.1Å; P222-A228 HydrophobicContact CG-CB 3.85Å; P222-L286 HydrophobicContact CG-CD1 4.08Å; P222-L286 HydrophobicContact CG-CD2 4.32Å; P222-L286 WeakPolarHBondContact O-CD2 3.38Å; P222-F290 HydrophobicContact CG-CE2 3.8Å; P222-F290 HydrophobicContact CG-CZ 3.88Å
223R90.4Very high90.4Very high84 Ų8430.4 Ų30.432%0.31717%0.168SC..  trans-112.4-8.4177.9-62.8-174.6-178.3-176.69.6113.8L193 G220 N282L193-R223 HydrophobicContact CD1-CB 4.33Å; L193-R223 HydrophobicContact CD2-CB 3.61Å; L193-R223 HydrophobicContact CD2-CG 4.03Å; G220-R223 WeakPolarHBondContact O-CG 3.17Å; G220-R223 PolarHBondContact O-NE 2.99Å; R223-N282 VanDerWaalsContact O-CB 3.23Å; R223-N282 WeakPolarHBondContact O-CB 3.32Å
224D89.9Confident90.4Very high34 Ų3433.6 Ų33.618%0.18218%0.18CC..SBendtrans-149.9171.2172.362.156.6000109.7G226 Q227 A228 N282 L286D224-G226 VanDerWaalsContact C-N 3.34Å; D224-G226 WeakPolarHBondContact OD1-CA 3.33Å; D224-G226 PolarHBondContact OD1-N 3.2Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.45Å; D224-Q227 PolarHBondContact OD1-N 3.4Å; D224-A228 PolarHBondContact O-N 2.95Å; D224-N282 HydrophobicContact CB-CB 4.14Å; D224-L286 WeakPolarHBondContact O-CD1 3.4Å
225V90.1Very high90.5Very high39 Ų3928.1 Ų28.124%0.23615%0.151CC..Hα-helixtrans-67.7-33.9-177.9179.90000112Q227 A228 L229 P285 L286 Y289V225-Q227 PolarHBondContact O-N 3.43Å; V225-A228 WeakPolarHBondContact O-CB 3.27Å; V225-A228 PolarHBondContact O-N 3.32Å; V225-L229 HydrophobicContact CG1-CD1 4.07Å; V225-L229 HydrophobicContact CG1-CG 4.34Å; V225-L229 WeakPolarHBondContact O-CG 3.49Å; V225-L229 PolarHBondContact O-N 2.83Å; V225-P285 HydrophobicContact CG2-CB 4Å; V225-L286 HydrophobicContact CG2-CB 4.3Å; V225-L286 HydrophobicContact CG2-CD1 4.42Å; V225-Y289 HydrophobicContact CG1-CD2 4.11Å; V225-Y289 HydrophobicContact CG1-CG 4.26Å
226G88.4Confident90.4Very high25 Ų2529.1 Ų29.126%0.25816%0.157SC..Hα-helixtrans-60.8-47.8178.700000111Q196 D224 A228 L229 S230Q196-G226 PolarHBondContact NE2-O 2.97Å; D224-G226 VanDerWaalsContact C-N 3.34Å; D224-G226 WeakPolarHBondContact OD1-CA 3.33Å; D224-G226 PolarHBondContact OD1-N 3.2Å; G226-A228 VanDerWaalsContact C-N 3.3Å; G226-A228 PolarHBondContact O-N 3.43Å; G226-L229 PolarHBondContact O-N 3.23Å; G226-S230 PolarHBondContact O-N 2.85Å
227Q91.6Very high90.1Very high5 Ų532.7 Ų32.72%0.02318%0.179CC..Hα-helixtrans-57.5-41.2174.9-72.9-178.85.100112.5Q196 F221 P222 D224 V225 F231Q196-Q227 HydrophobicContact CB-CG 4.27Å; Q196-Q227 HydrophobicContact CG-CG 4Å; F221-Q227 HydrophobicContact CE2-CB 3.69Å; F221-Q227 HydrophobicContact CE2-CG 3.99Å; F221-Q227 HydrophobicContact CZ-CB 3.84Å; F221-Q227 WeakPolarHBondContact CZ-O 3.5Å; P222-Q227 HydrophobicContact CB-CB 3.71Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.45Å; D224-Q227 PolarHBondContact OD1-N 3.4Å; V225-Q227 PolarHBondContact O-N 3.43Å; Q227-F231 WeakPolarHBondContact O-CB 3.46Å; Q227-F231 PolarHBondContact O-N 2.62Å
228A91Very high89.9Confident2 Ų232.8 Ų32.82%0.01718%0.18CC..Hα-helixtrans-61.9-48175.900000111.4P222 D224 V225 G226 F231 E232 L286 Y289 F290P222-A228 HydrophobicContact CB-CB 4.1Å; P222-A228 HydrophobicContact CG-CB 3.85Å; D224-A228 PolarHBondContact O-N 2.95Å; V225-A228 WeakPolarHBondContact O-CB 3.27Å; V225-A228 PolarHBondContact O-N 3.32Å; G226-A228 VanDerWaalsContact C-N 3.3Å; G226-A228 PolarHBondContact O-N 3.43Å; A228-F231 PolarHBondContact O-N 2.85Å; A228-E232 WeakPolarHBondContact O-CG 3.3Å; A228-E232 PolarHBondContact O-N 2.82Å; A228-L286 HydrophobicContact CB-CD1 3.91Å; A228-Y289 HydrophobicContact CB-CD1 4.27Å; A228-Y289 HydrophobicContact CB-CE1 3.95Å; A228-F290 HydrophobicContact CB-CE1 4.43Å; A228-F290 HydrophobicContact CB-CE2 4.14Å; A228-F290 HydrophobicContact CB-CZ 3.66Å
229L88.5Confident89.8Confident83 Ų8334.1 Ų34.144%0.43519%0.187SC..Hα-helixtrans-61.4-46.3179.3-70168.8000112.2V225 G226 F231 E232 D233 Y289V225-L229 HydrophobicContact CG1-CD1 4.07Å; V225-L229 HydrophobicContact CG1-CG 4.34Å; V225-L229 WeakPolarHBondContact O-CG 3.49Å; V225-L229 PolarHBondContact O-N 2.83Å; G226-L229 PolarHBondContact O-N 3.23Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 PolarHBondContact O-N 3.1Å; L229-E232 PolarHBondContact O-N 2.84Å; L229-D233 WeakPolarHBondContact O-CB 3.33Å; L229-D233 PolarHBondContact O-N 3.09Å; L229-Y289 HydrophobicContact CD2-CE2 3.81Å; L229-Y289 WeakPolarHBondContact CD2-OH 3.39Å; L229-Y289 HydrophobicContact CG-CE2 4.44Å
230S89.2Confident89.8Confident25 Ų2533.5 Ų33.518%0.17518%0.184CC..Hα-helixtrans-67.6-30.1177.5-72.50000113.6Q196 G226 Q234Q196-S230 PolarHBondContact NE2-OG 3.46Å; G226-S230 PolarHBondContact O-N 2.85Å; S230-Q234 VanDerWaalsContact O-CB 3.29Å; S230-Q234 WeakPolarHBondContact O-CB 3.41Å; S230-Q234 WeakPolarHBondContact O-CG 3.33Å; S230-Q234 PolarHBondContact O-N 2.62Å
231F91.8Very high90.2Very high1 Ų133.1 Ų33.10%0.00418%0.18CC..Hα-helixtrans-67.3-43.3174.3-177.1-91.3000111.4V134 L136 I200 I203 I218 F221 Q227 A228 L229 I235 C236V134-F231 HydrophobicContact CG1-CE1 4.15Å; V134-F231 HydrophobicContact CG1-CZ 3.89Å; L136-F231 HydrophobicContact CD1-CD1 4.32Å; L136-F231 HydrophobicContact CD1-CE1 4.31Å; L136-F231 HydrophobicContact CD2-CE1 4.17Å; L136-F231 HydrophobicContact CD2-CZ 4.11Å; I200-F231 HydrophobicContact CD1-CB 3.98Å; I200-F231 HydrophobicContact CD1-CD2 4.44Å; I203-F231 HydrophobicContact CG2-CE2 4.08Å; I218-F231 HydrophobicContact CD1-CE2 3.66Å; I218-F231 HydrophobicContact CD1-CZ 3.74Å; F221-F231 HydrophobicContact CD1-CD2 4.34Å; F221-F231 HydrophobicContact CE1-CB 3.71Å; F221-F231 AromaticContact CE1-CD2 3.54Å; F221-F231 HydrophobicContact CE1-CD2 3.54Å; F221-F231 HydrophobicContact CE1-CE2 4.41Å; F221-F231 AromaticContact CE1-CG 3.76Å; F221-F231 HydrophobicContact CE1-CG 3.76Å; F221-F231 HydrophobicContact CZ-CB 3.98Å; F221-F231 HydrophobicContact CZ-CD2 4.23Å; F221-F231 HydrophobicContact CZ-CG 4.44Å; Q227-F231 WeakPolarHBondContact O-CB 3.46Å; Q227-F231 PolarHBondContact O-N 2.62Å; A228-F231 PolarHBondContact O-N 2.85Å; L229-F231 VanDerWaalsContact C-N 3.3Å; L229-F231 PolarHBondContact O-N 3.1Å; F231-I235 HydrophobicContact CD2-CB 4.22Å; F231-I235 HydrophobicContact CD2-CD1 3.64Å; F231-I235 HydrophobicContact CD2-CG1 4.42Å; F231-I235 HydrophobicContact CE2-CB 4.06Å; F231-I235 HydrophobicContact CE2-CD1 3.66Å; F231-I235 HydrophobicContact CE2-CG1 4.44Å; F231-I235 HydrophobicContact CE2-CG2 3.92Å; F231-I235 HydrophobicContact CZ-CB 4.31Å; F231-I235 HydrophobicContact CZ-CG2 3.9Å; F231-I235 WeakPolarHBondContact O-CA 3.39Å; F231-I235 WeakPolarHBondContact O-CB 3.25Å; F231-I235 PolarHBondContact O-N 3.04Å; F231-C236 VanDerWaalsContact CD1-O 3.25Å; F231-C236 WeakPolarHBondContact CD1-O 3.25Å; F231-C236 WeakPolarHBondContact CE1-O 3.33Å; F231-C236 PolarHBondContact O-N 3.16Å
232E89.1Confident90.4Very high29 Ų2933.1 Ų33.114%0.13618%0.18CC..Hα-helixtrans-64.4-40.2177-69.4-179.1-162.400112.6A228 L229 C236 Y289 R293A228-E232 WeakPolarHBondContact O-CG 3.3Å; A228-E232 PolarHBondContact O-N 2.82Å; L229-E232 PolarHBondContact O-N 2.84Å; E232-C236 WeakPolarHBondContact CA-O 3.35Å; E232-Y289 WeakPolarHBondContact OE1-CE1 3.49Å; E232-Y289 PolarHBondContact OE1-OH 3.3Å; E232-Y289 PolarHBondContact OE2-OH 3.27Å; E232-R293 IonicContact OE1-NH1 3.87Å; E232-R293 IonicContact OE2-CZ 3.93Å; E232-R293 IonicContact OE2-NH1 3.06Å; E232-R293 PolarHBondContact OE2-NH1 2.76Å; E232-R293 IonicContact OE2-NH2 3.61Å
233D86.7Confident90.4Very high137 Ų13734 Ų3473%0.73318%0.184SC*.Hα-helixtrans-73.1-44.4-178.8-17562.1000112.8L229L229-D233 WeakPolarHBondContact O-CB 3.33Å; L229-D233 PolarHBondContact O-N 3.09Å
234Q84.4Confident90.6Very high85 Ų8530 Ų3040%0.39717%0.169SC..Hα-helixtrans-98-17-171.3-60.1-178.931.300114.6V124 I200 S230V124-Q234 WeakPolarHBondContact CG2-O 3.44Å; I200-Q234 HydrophobicContact CG2-CB 4.18Å; I200-Q234 VanDerWaalsContact CG2-OE1 3.29Å; S230-Q234 VanDerWaalsContact O-CB 3.29Å; S230-Q234 WeakPolarHBondContact O-CB 3.41Å; S230-Q234 WeakPolarHBondContact O-CG 3.33Å; S230-Q234 PolarHBondContact O-N 2.62Å
235I86.8Confident90.6Very high16 Ų1629.8 Ų29.88%0.08217%0.172CC..THydrogen-bonded Turntrans-124.7-73.9-175.1-59.9173.4000111V124 F125 I200 I203 K204 I207 F231V124-I235 HydrophobicContact CB-CG2 4.5Å; V124-I235 HydrophobicContact CG1-CG2 3.94Å; V124-I235 HydrophobicContact CG2-CG1 4.3Å; F125-I235 HydrophobicContact CE2-CG2 3.98Å; F125-I235 HydrophobicContact CZ-CG2 4.2Å; I200-I235 HydrophobicContact CG2-CD1 4.24Å; I203-I235 HydrophobicContact CB-CD1 4.23Å; I203-I235 HydrophobicContact CG2-CD1 3.79Å; K204-I235 HydrophobicContact CB-CD1 4.34Å; I207-I235 HydrophobicContact CD1-CG2 3.91Å; F231-I235 HydrophobicContact CD2-CB 4.22Å; F231-I235 HydrophobicContact CD2-CD1 3.64Å; F231-I235 HydrophobicContact CD2-CG1 4.42Å; F231-I235 HydrophobicContact CE2-CB 4.06Å; F231-I235 HydrophobicContact CE2-CD1 3.66Å; F231-I235 HydrophobicContact CE2-CG1 4.44Å; F231-I235 HydrophobicContact CE2-CG2 3.92Å; F231-I235 HydrophobicContact CZ-CB 4.31Å; F231-I235 HydrophobicContact CZ-CG2 3.9Å; F231-I235 WeakPolarHBondContact O-CA 3.39Å; F231-I235 WeakPolarHBondContact O-CB 3.25Å; F231-I235 PolarHBondContact O-N 3.04Å
236C88.5Confident90.6Very high21 Ų2128.9 Ų28.914%0.14217%0.167CC..  trans-175161.7175.160.90000111.5F125 F231 E232F125-C236 HydrophobicContact CD2-CB 4.45Å; F125-C236 HydrophobicContact CE2-CB 3.79Å; F231-C236 VanDerWaalsContact CD1-O 3.25Å; F231-C236 WeakPolarHBondContact CD1-O 3.25Å; F231-C236 WeakPolarHBondContact CE1-O 3.33Å; F231-C236 PolarHBondContact O-N 3.16Å; E232-C236 WeakPolarHBondContact CA-O 3.35Å
237T88.8Confident90.5Very high76 Ų7630.6 Ų30.647%0.46617%0.172SC..  trans-69.2127.4163.7-46.30000110.2L295T237-L295 HydrophobicContact CG2-CD1 3.89Å
238P92.7Very high90.2Very high3 Ų333.5 Ų33.52%0.01919%0.188CC..  trans-67.2148.4177.730.2-36.9000111.4L136 V241 F290L136-P238 HydrophobicContact CD1-CB 3.59Å; L136-P238 HydrophobicContact CD1-CG 3.64Å; L136-P238 HydrophobicContact CG-CB 3.71Å; L136-P238 HydrophobicContact CG-CG 4.3Å; P238-V241 HydrophobicContact CB-CG2 4.43Å; P238-V241 HydrophobicContact CG-CG2 4.03Å; P238-F290 HydrophobicContact CG-CE1 4.22Å
239D92.7Very high89.8Confident27 Ų2737.2 Ų37.214%0.14421%0.214CC..SBendtrans-76.8-34.2174.9-65-88.1000111.9R131 K133 V134 L320R131-D239 IonicContact CZ-OD1 2.66Å; R131-D239 VanDerWaalsContact CZ-OD1 3.27Å; R131-D239 IonicContact CZ-OD2 3.7Å; R131-D239 IonicContact NH1-OD1 3.77Å; R131-D239 PolarHBondContact NH1-OD1 3.34Å; R131-D239 IonicContact NH1-OD2 2.63Å; R131-D239 PolarHBondContact NH1-OD2 3.24Å; R131-D239 IonicContact NH2-OD1 2.85Å; R131-D239 PolarHBondContact NH2-OD1 3.47Å; R131-D239 IonicContact NH2-OD2 3.84Å; K133-D239 WeakPolarHBondContact CA-OD2 3.49Å; K133-D239 IonicContact NZ-OD1 2.68Å; V134-D239 PolarHBondContact N-OD2 3.42Å; V134-D239 PolarHBondContact O-N 2.91Å; D239-L320 HydrophobicContact CB-CD2 3.46Å; D239-L320 VanDerWaalsContact CB-CD2 3.46Å
240L93.6Very high89.7Confident0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-151.4143.4176.5-170.168.4000111.9V134 I135 L136 V242 V297 T315 L316 K319 L320V134-L240 PolarHBondContact O-N 2.93Å; I135-L240 WeakPolarHBondContact CA-O 3.29Å; L136-L240 PolarHBondContact N-O 3.32Å; L240-V242 HydrophobicContact CD2-CG2 3.99Å; L240-V242 HydrophobicContact CG-CG2 4.37Å; L240-V297 HydrophobicContact CD1-CG2 4.03Å; L240-T315 HydrophobicContact CD2-CG2 4.17Å; L240-L316 HydrophobicContact CD2-CD2 3.39Å; L240-L316 HydrophobicContact CD2-CG 4.11Å; L240-K319 HydrophobicContact CD1-CD 3.42Å; L240-K319 VanDerWaalsContact CD1-CD 3.42Å; L240-L320 HydrophobicContact CB-CD2 4.3Å
241V95.2Very high89.7Confident0 Ų035.3 Ų35.30%020%0.2CC..EExtended strand (participates in β ladder)trans-114.1119.6169.4-175.70000109.2L136 I138 P238 F290 L295 I296 V297L136-V241 HydrophobicContact CB-CG1 4.43Å; L136-V241 HydrophobicContact CB-CG2 4.22Å; L136-V241 HydrophobicContact CD1-CG2 4.24Å; L136-V241 CarbonylContact O-C 3.55Å; L136-V241 WeakPolarHBondContact O-CA 3.31Å; I138-V241 HydrophobicContact CD1-CG1 3.63Å; I138-V241 HydrophobicContact CG1-CG1 3.66Å; I138-V241 HydrophobicContact CG2-CG1 4.36Å; P238-V241 HydrophobicContact CB-CG2 4.43Å; P238-V241 HydrophobicContact CG-CG2 4.03Å; V241-F290 HydrophobicContact CB-CD2 4.46Å; V241-F290 HydrophobicContact CB-CG 4.39Å; V241-F290 HydrophobicContact CG1-CD2 4.01Å; V241-F290 HydrophobicContact CG1-CE2 4.16Å; V241-F290 HydrophobicContact CG1-CG 4.42Å; V241-F290 HydrophobicContact CG2-CD1 3.74Å; V241-F290 HydrophobicContact CG2-CD2 4.18Å; V241-F290 HydrophobicContact CG2-CE1 3.75Å; V241-F290 HydrophobicContact CG2-CE2 4.16Å; V241-F290 HydrophobicContact CG2-CG 3.97Å; V241-F290 HydrophobicContact CG2-CZ 3.95Å; V241-L295 PolarHBondContact N-O 3.38Å; V241-I296 HydrophobicContact CB-CB 4.23Å; V241-I296 HydrophobicContact CB-CG1 4.28Å; V241-I296 HydrophobicContact CG1-CD1 4.31Å; V241-I296 HydrophobicContact CG1-CG1 4.19Å; V241-I296 CarbonylContact O-C 3.39Å; V241-I296 VanDerWaalsContact O-CA 3.25Å; V241-I296 WeakPolarHBondContact O-CA 3.17Å; V241-V297 PolarHBondContact O-N 3.34Å
242V94.9Very high89.4Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-99.3117.3176.1179.30000108.6I135 L136 V137 I138 L240 L244 L299 I312I135-V242 HydrophobicContact CG2-CG2 4.15Å; L136-V242 PolarHBondContact O-N 3.09Å; V137-V242 WeakPolarHBondContact CA-O 3.39Å; V137-V242 HydrophobicContact CG2-CB 4.47Å; I138-V242 WeakPolarHBondContact CG1-O 3.5Å; I138-V242 PolarHBondContact N-O 2.65Å; L240-V242 HydrophobicContact CD2-CG2 3.99Å; L240-V242 HydrophobicContact CG-CG2 4.37Å; V242-L244 HydrophobicContact CG1-CD2 4.07Å; V242-L299 HydrophobicContact CG1-CD1 4.12Å; V242-I312 HydrophobicContact CG1-CD1 4.36Å; V242-I312 HydrophobicContact CG1-CG1 4.04Å; V242-I312 HydrophobicContact CG1-CG2 4.47Å
243F94.8Very high89.4Confident22 Ų2242.4 Ų42.410%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-104.9113.8176.6176.6-124.2000111.8I138 A245 F279 T283 V287 I296 V297 T298 L299I138-F243 HydrophobicContact CD1-CB 4.02Å; I138-F243 HydrophobicContact CD1-CD2 3.99Å; I138-F243 HydrophobicContact CD1-CG 4.3Å; I138-F243 HydrophobicContact CG1-CB 3.83Å; I138-F243 HydrophobicContact CG1-CD2 3.86Å; I138-F243 HydrophobicContact CG1-CG 4.29Å; I138-F243 WeakPolarHBondContact O-CA 3.43Å; F243-A245 HydrophobicContact CD1-CB 4.4Å; F243-A245 HydrophobicContact CE1-CB 3.91Å; F243-A245 HydrophobicContact CZ-CB 4.38Å; F243-A245 PolarHBondContact O-N 3.38Å; F243-F279 HydrophobicContact CE2-CE2 4.24Å; F243-F279 AromaticContact CE2-CZ 3.99Å; F243-F279 HydrophobicContact CE2-CZ 3.99Å; F243-F279 HydrophobicContact CZ-CZ 4.3Å; F243-T283 HydrophobicContact CD2-CG2 4.49Å; F243-T283 HydrophobicContact CE2-CG2 3.5Å; F243-T283 VanDerWaalsContact CE2-CG2 3.5Å; F243-T283 HydrophobicContact CZ-CG2 3.57Å; F243-V287 HydrophobicContact CD1-CG2 3.84Å; F243-V287 HydrophobicContact CD2-CG2 4.11Å; F243-V287 HydrophobicContact CE1-CG2 3.84Å; F243-V287 HydrophobicContact CE2-CG2 4.08Å; F243-V287 HydrophobicContact CG-CG2 4Å; F243-V287 HydrophobicContact CZ-CG2 3.96Å; F243-I296 HydrophobicContact CB-CD1 3.83Å; F243-I296 HydrophobicContact CB-CG1 4.04Å; F243-V297 PolarHBondContact N-O 3.09Å; F243-T298 HydrophobicContact CD1-CG2 3.65Å; F243-T298 HydrophobicContact CE1-CG2 4.13Å; F243-T298 WeakPolarHBondContact O-CA 3.39Å; F243-L299 PolarHBondContact O-N 3.04Å
244L93.9Very high89.4Confident0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-87.997.6175.1-58.8-175.2000110V137 I138 K145 Q148 V242 L299 A301 V308 I312V137-L244 HydrophobicContact CG1-CD1 4.33Å; I138-L244 PolarHBondContact O-N 3.22Å; K145-L244 HydrophobicContact CB-CD1 4.31Å; K145-L244 HydrophobicContact CG-CD1 3.96Å; Q148-L244 HydrophobicContact CB-CD1 4.15Å; Q148-L244 HydrophobicContact CG-CD1 3.88Å; V242-L244 HydrophobicContact CG1-CD2 4.07Å; L244-L299 HydrophobicContact CD2-CB 4.37Å; L244-A301 HydrophobicContact CB-CB 3.84Å; L244-A301 HydrophobicContact CD2-CB 4.49Å; L244-V308 HydrophobicContact CD2-CG1 3.97Å; L244-I312 HydrophobicContact CD2-CD1 3.91Å; L244-I312 HydrophobicContact CD2-CG1 4.42Å
245A89.8Confident89.4Confident29 Ų2936.1 Ų36.124%0.2419%0.194CC..EExtended strand (participates in β ladder)trans-78.9126.3176.100000109.9F243 T298 L299 A301F243-A245 HydrophobicContact CD1-CB 4.4Å; F243-A245 HydrophobicContact CE1-CB 3.91Å; F243-A245 HydrophobicContact CZ-CB 4.38Å; F243-A245 PolarHBondContact O-N 3.38Å; A245-T298 HydrophobicContact CB-CG2 3.98Å; A245-L299 PolarHBondContact N-O 3.42Å; A245-A301 WeakPolarHBondContact O-CA 3.25Å; A245-A301 WeakPolarHBondContact O-CB 3.41Å; A245-A301 PolarHBondContact O-N 2.7Å
246C89.6Confident89.3Confident20 Ų2040.4 Ų40.414%0.13521%0.214CC..  trans-147.4141.5-176.6174.60000108.8L251 A301 D302C246-L251 HydrophobicContact CB-CD2 3.76Å; C246-L251 HydrophobicContact CB-CG 4.14Å; C246-L251 VanDerWaalsContact SG-CD2 3.54Å; C246-A301 HydrophobicContact CB-CB 4.22Å; C246-D302 WeakPolarHBondContact CA-OD1 3.4Å; C246-D302 PolarHBondContact SG-OD1 2.95Å
247T87.6Confident89.1Confident61 Ų6143.4 Ų43.437%0.37422%0.224SC..  trans-69.5148.1-177.248.40000111.9S249 H250 L251 D302T247-S249 PolarHBondContact O-N 3.4Å; T247-S249 PolarHBondContact OG1-OG 2.87Å; T247-H250 PolarHBondContact O-N 2.95Å; T247-H250 VanDerWaalsContact O-N 3.16Å; T247-H250 PolarHBondContact OG1-ND1 3.41Å; T247-H250 VanDerWaalsContact OG1-ND1 3.07Å; T247-L251 WeakPolarHBondContact O-CG 3.48Å; T247-L251 PolarHBondContact O-N 2.8Å; T247-D302 VanDerWaalsContact CB-OD2 3.28Å; T247-D302 WeakPolarHBondContact CB-OD2 3.41Å; T247-D302 WeakPolarHBondContact CG2-OD2 3.45Å; T247-D302 PolarHBondContact N-OD1 3.46Å; T247-D302 PolarHBondContact N-OD2 3.21Å; T247-D302 PolarHBondContact OG1-OD1 3.27Å; T247-D302 PolarHBondContact OG1-OD2 2.92Å
248N84.8Confident88.7Confident67 Ų6741.1 Ų41.136%0.35821%0.207SC..Hα-helixtrans-61.3-31.5-175.5-67.5-60000113.7K252 K280N248-K252 WeakPolarHBondContact O-CB 3.43Å; N248-K252 PolarHBondContact O-N 3.21Å; N248-K280 WeakPolarHBondContact ND2-CE 3.42Å; N248-K280 PolarHBondContact ND2-NZ 3.32Å; N248-K280 VanDerWaalsContact ND2-NZ 3.14Å; N248-K280 WeakPolarHBondContact OD1-CE 3.41Å
249S83.1Confident88.2Confident80 Ų8042.5 Ų42.556%0.55922%0.219SC*.Hα-helixtrans-59.9-53.3174.339.60000110.6T247 K252 E253T247-S249 PolarHBondContact O-N 3.4Å; T247-S249 PolarHBondContact OG1-OG 2.87Å; S249-K252 PolarHBondContact O-N 2.79Å; S249-E253 PolarHBondContact O-N 3.36Å
250H86.1Confident87.5Confident68 Ų6848.4 Ų48.432%0.31525%0.246SC..Hα-helixtrans-65.8-39.8178.6-66.8153.6000112.6T247 K252 E253 R254 D302T247-H250 PolarHBondContact O-N 2.95Å; T247-H250 VanDerWaalsContact O-N 3.16Å; T247-H250 PolarHBondContact OG1-ND1 3.41Å; T247-H250 VanDerWaalsContact OG1-ND1 3.07Å; H250-K252 VanDerWaalsContact C-N 3.32Å; H250-K252 PolarHBondContact O-N 3.11Å; H250-E253 PolarHBondContact O-N 2.86Å; H250-R254 VanDerWaalsContact O-CB 3.29Å; H250-R254 WeakPolarHBondContact O-CB 3.4Å; H250-R254 VanDerWaalsContact O-CG 3.26Å; H250-R254 WeakPolarHBondContact O-CG 3.46Å; H250-R254 PolarHBondContact O-N 2.79Å; H250-D302 IonicContact CE1-OD1 2.93Å; H250-D302 IonicContact CG-OD1 3.93Å; H250-D302 IonicContact ND1-OD1 3.59Å; H250-D302 PolarHBondContact ND1-OD1 2.82Å; H250-D302 IonicContact ND1-OD2 3.74Å
251L88.5Confident86.6Confident0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-58-45.9175.4-67.8177.8000111.5P141 C246 T247 L255 L276 F279P141-L251 WeakPolarHBondContact O-CD2 3.41Å; C246-L251 HydrophobicContact CB-CD2 3.76Å; C246-L251 HydrophobicContact CB-CG 4.14Å; C246-L251 VanDerWaalsContact SG-CD2 3.54Å; T247-L251 WeakPolarHBondContact O-CG 3.48Å; T247-L251 PolarHBondContact O-N 2.8Å; L251-L255 VanDerWaalsContact O-CB 3.29Å; L251-L255 WeakPolarHBondContact O-CB 2.9Å; L251-L255 WeakPolarHBondContact O-CD1 3.27Å; L251-L255 VanDerWaalsContact O-CG 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.45Å; L251-L276 HydrophobicContact CB-CD2 3.71Å; L251-L276 HydrophobicContact CD1-CD2 3.86Å; L251-L276 HydrophobicContact CG-CD2 4.44Å; L251-F279 HydrophobicContact CD1-CD1 4.48Å; L251-F279 HydrophobicContact CD1-CE1 4.27Å
252K86.8Confident85.3Confident86 Ų8661.2 Ų61.237%0.37431%0.305SS..Hα-helixtrans-66.3-45.2-179.7-171.7164.3-179.2148.20111.6N248 S249 H250 L255 Q256 D273 L276N248-K252 WeakPolarHBondContact O-CB 3.43Å; N248-K252 PolarHBondContact O-N 3.21Å; S249-K252 PolarHBondContact O-N 2.79Å; H250-K252 VanDerWaalsContact C-N 3.32Å; H250-K252 PolarHBondContact O-N 3.11Å; K252-L255 PolarHBondContact O-N 2.81Å; K252-Q256 WeakPolarHBondContact O-CB 3.46Å; K252-Q256 PolarHBondContact O-N 2.84Å; K252-D273 IonicContact NZ-OD1 2.67Å; K252-D273 PolarHBondContact NZ-OD1 3.41Å; K252-D273 IonicContact NZ-OD2 2.84Å; K252-L276 HydrophobicContact CB-CD1 4.09Å; K252-L276 HydrophobicContact CG-CD1 4.44Å
253E87.4Confident84Confident93 Ų9364.1 Ų64.144%0.43534%0.336SS..Hα-helixtrans-59.7-48.6176.1-169.4-167.2153.900111.7S249 H250 L255 Q256 K257S249-E253 PolarHBondContact O-N 3.36Å; H250-E253 PolarHBondContact O-N 2.86Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 2.82Å; E253-Q256 PolarHBondContact O-N 3.35Å; E253-K257 HydrophobicContact CG-CD 4.43Å; E253-K257 WeakPolarHBondContact O-CG 3.48Å; E253-K257 PolarHBondContact O-N 2.91Å; E253-K257 WeakPolarHBondContact OE1-CE 3.48Å; E253-K257 IonicContact OE1-NZ 3.82Å; E253-K257 PolarHBondContact OE1-NZ 3.35Å
254R87.4Confident83.1Confident90 Ų9066.9 Ų66.934%0.3435%0.346SS..Hα-helixtrans-65.2-32.4178.1-70.7178.2179.1176.31112.3G142 H250 R258 A301G142-R254 WeakPolarHBondContact O-CD 3.46Å; H250-R254 VanDerWaalsContact O-CB 3.29Å; H250-R254 WeakPolarHBondContact O-CB 3.4Å; H250-R254 VanDerWaalsContact O-CG 3.26Å; H250-R254 WeakPolarHBondContact O-CG 3.46Å; H250-R254 PolarHBondContact O-N 2.79Å; R254-R258 WeakPolarHBondContact O-CB 3.36Å; R254-R258 PolarHBondContact O-N 3.07Å; R254-A301 PolarHBondContact NH1-O 3.21Å; R254-A301 PolarHBondContact NH2-O 2.88Å
255L85.3Confident82Confident0 Ų069.8 Ų69.80%036%0.364CS..Hα-helixtrans-69.2-42.5173.8-83.3163.5000112P141 L251 K252 E253 R258 A259 I272 L276P141-L255 HydrophobicContact CB-CD1 3.99Å; P141-L255 HydrophobicContact CB-CD2 4.04Å; P141-L255 HydrophobicContact CB-CG 4.46Å; P141-L255 HydrophobicContact CG-CD1 3.98Å; P141-L255 VanDerWaalsContact O-CD1 3.23Å; P141-L255 WeakPolarHBondContact O-CD1 3.38Å; P141-L255 WeakPolarHBondContact O-CG 3.33Å; L251-L255 VanDerWaalsContact O-CB 3.29Å; L251-L255 WeakPolarHBondContact O-CB 2.9Å; L251-L255 WeakPolarHBondContact O-CD1 3.27Å; L251-L255 VanDerWaalsContact O-CG 3.24Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.45Å; K252-L255 PolarHBondContact O-N 2.81Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 2.82Å; L255-R258 PolarHBondContact O-N 3.29Å; L255-A259 PolarHBondContact O-N 3.39Å; L255-I272 HydrophobicContact CB-CD1 4.01Å; L255-I272 HydrophobicContact CB-CG1 4.11Å; L255-I272 HydrophobicContact CB-CG2 4.18Å; L255-I272 HydrophobicContact CD1-CG2 3.94Å; L255-I272 HydrophobicContact CD2-CG1 4.44Å; L255-L276 HydrophobicContact CD1-CD1 4.32Å; L255-L276 HydrophobicContact CD1-CD2 4.02Å; L255-L276 HydrophobicContact CD1-CG 4.09Å
256Q83.6Confident81.1Confident105 Ų10568.6 Ų68.649%0.49135%0.354SS..Hα-helixtrans-68.4-44.3-178.6-167.4148.9-0.500111.7K252 E253 R258 A259 E260K252-Q256 WeakPolarHBondContact O-CB 3.46Å; K252-Q256 PolarHBondContact O-N 2.84Å; E253-Q256 PolarHBondContact O-N 3.35Å; Q256-R258 PolarHBondContact O-N 3.21Å; Q256-A259 WeakPolarHBondContact O-CB 3.28Å; Q256-A259 PolarHBondContact O-N 3.23Å; Q256-A259 VanDerWaalsContact O-N 3.13Å; Q256-E260 PolarHBondContact O-N 3.35Å
257K83.6Confident80.7Confident84 Ų8467.9 Ų67.937%0.36535%0.349SS..Hα-helixtrans-56.2-39.8170.9-74.1174.4170.7171.20112.1E253 E260 Q261E253-K257 HydrophobicContact CG-CD 4.43Å; E253-K257 WeakPolarHBondContact O-CG 3.48Å; E253-K257 PolarHBondContact O-N 2.91Å; E253-K257 WeakPolarHBondContact OE1-CE 3.48Å; E253-K257 IonicContact OE1-NZ 3.82Å; E253-K257 PolarHBondContact OE1-NZ 3.35Å; K257-E260 PolarHBondContact O-N 2.9Å; K257-Q261 VanDerWaalsContact O-CG 3.31Å; K257-Q261 WeakPolarHBondContact O-CG 3.43Å; K257-Q261 PolarHBondContact O-N 3Å; K257-Q261 VanDerWaalsContact O-N 3.17Å
258R81.8Confident80.4Confident29 Ų2967.8 Ų67.811%0.10935%0.346CS..Hα-helixtrans-69.7-36.3178.2-160.3-172.4-30.2115.911.8112.8R254 L255 Q256 E260 Q261 Q262 D267R254-R258 WeakPolarHBondContact O-CB 3.36Å; R254-R258 PolarHBondContact O-N 3.07Å; L255-R258 PolarHBondContact O-N 3.29Å; Q256-R258 PolarHBondContact O-N 3.21Å; R258-E260 VanDerWaalsContact C-N 3.26Å; R258-E260 PolarHBondContact O-N 3.43Å; R258-Q261 PolarHBondContact O-N 3.34Å; R258-Q262 HydrophobicContact CG-CB 4.13Å; R258-Q262 HydrophobicContact CG-CG 3.99Å; R258-Q262 PolarHBondContact O-N 3.22Å; R258-D267 WeakPolarHBondContact CD-OD2 3Å; R258-D267 IonicContact CZ-OD2 2.62Å; R258-D267 IonicContact NH1-OD1 3.42Å; R258-D267 PolarHBondContact NH1-OD1 3.13Å; R258-D267 VanDerWaalsContact NH1-OD1 3.09Å; R258-D267 IonicContact NH1-OD2 3.04Å; R258-D267 PolarHBondContact NH1-OD2 3.16Å; R258-D267 VanDerWaalsContact NH1-OD2 3.13Å
259A81.1Confident80.2Confident32 Ų3269.4 Ų69.426%0.26436%0.36SS..Hα-helixtrans-58.5-42.4175.600000111.1L255 Q256 G263 D267L255-A259 PolarHBondContact O-N 3.39Å; Q256-A259 WeakPolarHBondContact O-CB 3.28Å; Q256-A259 PolarHBondContact O-N 3.23Å; Q256-A259 VanDerWaalsContact O-N 3.13Å; A259-G263 PolarHBondContact O-N 2.95Å; A259-D267 HydrophobicContact CB-CB 3.88Å; A259-D267 WeakPolarHBondContact CB-O 3.26Å
260E78.1Confident80.3Confident151 Ų15173.6 Ų73.671%0.70637%0.368SS*.Hα-helixtrans-69.4-37.5179.3-67.3166.7-171.200112.7Q256 K257 R258Q256-E260 PolarHBondContact O-N 3.35Å; K257-E260 PolarHBondContact O-N 2.9Å; R258-E260 VanDerWaalsContact C-N 3.26Å; R258-E260 PolarHBondContact O-N 3.43Å
261Q74.8Confident80.2Confident155 Ų15570.3 Ų70.372%0.72435%0.353SS*.Hα-helixtrans-91.3-39.9-172.7-68.3174.5-8.600114.8K257 R258K257-Q261 VanDerWaalsContact O-CG 3.31Å; K257-Q261 WeakPolarHBondContact O-CG 3.43Å; K257-Q261 PolarHBondContact O-N 3Å; K257-Q261 VanDerWaalsContact O-N 3.17Å; R258-Q261 PolarHBondContact O-N 3.34Å
262Q67.3Low80.1Confident113 Ų11370.7 Ų70.753%0.52836%0.355SS..Hα-helixtrans-110-11.8-168.1-61.8-175.32.600113.6R258 R264R258-Q262 HydrophobicContact CG-CB 4.13Å; R258-Q262 HydrophobicContact CG-CG 3.99Å; R258-Q262 PolarHBondContact O-N 3.22Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 HydrophobicContact CB-CG 4.33Å; Q262-R264 PolarHBondContact O-N 2.74Å; Q262-R264 VanDerWaalsContact OE1-NE 3.14Å
263G68.1Low80.1Confident62 Ų6270.2 Ų70.264%0.63936%0.357SS*.  trans56.737.4174.900000114.7A259A259-G263 PolarHBondContact O-N 2.95Å
264R76.8Confident80.1Confident80 Ų8071.1 Ų71.130%0.30236%0.356SS..  trans-67.1139.5179.2-59.3-170.2-175.4-173.3-3110.6Q262 D266 D267Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 HydrophobicContact CB-CG 4.33Å; Q262-R264 PolarHBondContact O-N 2.74Å; Q262-R264 VanDerWaalsContact OE1-NE 3.14Å; R264-D266 PolarHBondContact O-N 3.02Å; R264-D266 VanDerWaalsContact O-N 3.15Å; R264-D267 HydrophobicContact CB-CB 4.06Å; R264-D267 WeakPolarHBondContact CD-OD2 3.32Å; R264-D267 PolarHBondContact O-N 3Å; R264-D267 VanDerWaalsContact O-N 3.13Å
265P69.5Low80.1Confident60 Ų6068.1 Ų68.139%0.3935%0.345SS..THydrogen-bonded Turntrans-61.3-28.7-178.524.8-33.7000112.6T189 N268T189-P265 HydrophobicContact CG2-CB 4.45Å; P265-N268 PolarHBondContact O-ND2 3.26Å
266D72.3Confident80.2Confident5 Ų568.8 Ų68.83%0.02735%0.348CS..THydrogen-bonded Turntrans-96.810.2-178.762.7-51.5000114.8R168 I188 R264 A271 R275R168-D266 IonicContact NH1-OD1 2.65Å; R168-D266 IonicContact NH1-OD2 3.81Å; I188-D266 HydrophobicContact CG2-CB 4.29Å; I188-D266 VanDerWaalsContact O-CB 3.24Å; I188-D266 WeakPolarHBondContact O-CB 3.1Å; R264-D266 PolarHBondContact O-N 3.02Å; R264-D266 VanDerWaalsContact O-N 3.15Å; D266-A271 WeakPolarHBondContact O-CB 3.25Å; D266-R275 PolarHBondContact O-NH1 3.49Å; D266-R275 VanDerWaalsContact O-NH1 3.12Å; D266-R275 IonicContact OD2-CZ 3.12Å; D266-R275 IonicContact OD2-NE 3.78Å; D266-R275 IonicContact OD2-NH1 3.98Å; D266-R275 PolarHBondContact OD2-NH1 3.35Å; D266-R275 VanDerWaalsContact OD2-NH1 3.12Å; D266-R275 IonicContact OD2-NH2 2.99Å
267D80.1Confident80.5Confident5 Ų567 Ų673%0.02734%0.344CS..  trans-103.428.1175-75-18.4000111.7R258 A259 R264 I272 R275R258-D267 WeakPolarHBondContact CD-OD2 3Å; R258-D267 IonicContact CZ-OD2 2.62Å; R258-D267 IonicContact NH1-OD1 3.42Å; R258-D267 PolarHBondContact NH1-OD1 3.13Å; R258-D267 VanDerWaalsContact NH1-OD1 3.09Å; R258-D267 IonicContact NH1-OD2 3.04Å; R258-D267 PolarHBondContact NH1-OD2 3.16Å; R258-D267 VanDerWaalsContact NH1-OD2 3.13Å; A259-D267 HydrophobicContact CB-CB 3.88Å; A259-D267 WeakPolarHBondContact CB-O 3.26Å; R264-D267 HydrophobicContact CB-CB 4.06Å; R264-D267 WeakPolarHBondContact CD-OD2 3.32Å; R264-D267 PolarHBondContact O-N 3Å; R264-D267 VanDerWaalsContact O-N 3.13Å; D267-I272 WeakPolarHBondContact O-CD1 3.12Å; D267-R275 IonicContact OD1-CZ 3.79Å; D267-R275 IonicContact OD1-NH1 3.06Å; D267-R275 PolarHBondContact OD1-NH1 3.17Å
268N82.6Confident80.6Confident58 Ų5864.9 Ų64.931%0.3134%0.337SS..SBendtrans-78.4153170.567.274.9000111.3T189 P265 K270 A271 I272T189-N268 PolarHBondContact O-ND2 3.17Å; T189-N268 VanDerWaalsContact O-ND2 3.11Å; P265-N268 PolarHBondContact O-ND2 3.26Å; N268-K270 VanDerWaalsContact C-N 3.28Å; N268-K270 PolarHBondContact O-N 3.14Å; N268-K270 VanDerWaalsContact O-N 3.16Å; N268-K270 PolarHBondContact OD1-N 3.24Å; N268-A271 VanDerWaalsContact CG-CB 3.48Å; N268-A271 WeakPolarHBondContact ND2-CB 3.4Å; N268-A271 CarbonylContact O-C 3.58Å; N268-A271 WeakPolarHBondContact O-CA 3.46Å; N268-A271 PolarHBondContact O-N 3.31Å; N268-A271 VanDerWaalsContact OD1-CB 3.24Å; N268-A271 WeakPolarHBondContact OD1-CB 3.33Å; N268-A271 PolarHBondContact OD1-N 3.26Å; N268-I272 WeakPolarHBondContact O-CG1 3.49Å; N268-I272 PolarHBondContact O-N 3.48Å
269P80.8Confident81Confident102 Ų10265.2 Ų65.266%0.66234%0.34SS*.Hα-helixtrans-57.2-37.7-171.516.5-29.6000113.8D273P269-D273 PolarHBondContact O-N 3.1Å
270K84.1Confident81.2Confident167 Ų16768.6 Ų68.673%0.72635%0.348SS*.Hα-helixtrans-67.5-40.9175.5-68.9-176.5179.2179.10112.1N268 R274N268-K270 VanDerWaalsContact C-N 3.28Å; N268-K270 PolarHBondContact O-N 3.14Å; N268-K270 VanDerWaalsContact O-N 3.16Å; N268-K270 PolarHBondContact OD1-N 3.24Å; K270-R274 VanDerWaalsContact O-CG 3.32Å; K270-R274 WeakPolarHBondContact O-CG 3.23Å; K270-R274 PolarHBondContact O-N 3.09Å
271A84.6Confident81.7Confident0 Ų067.3 Ų67.30%034%0.342CS..Hα-helixtrans-69.4-37176.800000112.2D266 N268 R274 R275D266-A271 WeakPolarHBondContact O-CB 3.25Å; N268-A271 VanDerWaalsContact CG-CB 3.48Å; N268-A271 WeakPolarHBondContact ND2-CB 3.4Å; N268-A271 CarbonylContact O-C 3.58Å; N268-A271 WeakPolarHBondContact O-CA 3.46Å; N268-A271 PolarHBondContact O-N 3.31Å; N268-A271 VanDerWaalsContact OD1-CB 3.24Å; N268-A271 WeakPolarHBondContact OD1-CB 3.33Å; N268-A271 PolarHBondContact OD1-N 3.26Å; A271-R274 PolarHBondContact O-N 3.14Å; A271-R275 WeakPolarHBondContact O-CB 3.5Å; A271-R275 WeakPolarHBondContact O-CG 3.23Å; A271-R275 PolarHBondContact O-N 3.48Å
272I85.8Confident82.3Confident8 Ų862 Ų624%0.04132%0.319CS..Hα-helixtrans-57.6-52175.2-75.2170.5000110.5L255 D267 N268 R274 R275 L276L255-I272 HydrophobicContact CB-CD1 4.01Å; L255-I272 HydrophobicContact CB-CG1 4.11Å; L255-I272 HydrophobicContact CB-CG2 4.18Å; L255-I272 HydrophobicContact CD1-CG2 3.94Å; L255-I272 HydrophobicContact CD2-CG1 4.44Å; D267-I272 WeakPolarHBondContact O-CD1 3.12Å; N268-I272 WeakPolarHBondContact O-CG1 3.49Å; N268-I272 PolarHBondContact O-N 3.48Å; I272-R274 VanDerWaalsContact C-N 3.34Å; I272-R274 PolarHBondContact O-N 3.05Å; I272-R275 PolarHBondContact O-N 2.72Å; I272-L276 HydrophobicContact CG2-CD1 4.12Å; I272-L276 WeakPolarHBondContact O-CG 3.3Å; I272-L276 PolarHBondContact O-N 3.07Å
273D86.4Confident83.1Confident75 Ų7557.3 Ų57.340%0.40130%0.298SS..Hα-helixtrans-64.1-39.4-179.7-76.3-21.4000111.6K252 P269 L276 T277K252-D273 IonicContact NZ-OD1 2.67Å; K252-D273 PolarHBondContact NZ-OD1 3.41Å; K252-D273 IonicContact NZ-OD2 2.84Å; P269-D273 PolarHBondContact O-N 3.1Å; D273-L276 PolarHBondContact O-N 2.9Å; D273-T277 WeakPolarHBondContact O-CB 3.25Å; D273-T277 PolarHBondContact O-N 3.27Å; D273-T277 PolarHBondContact O-OG1 2.82Å
274R87.8Confident83.9Confident112 Ų11260.7 Ų60.742%0.42330%0.3SS..Hα-helixtrans-62.3-43.7174-75.2173.5174.4-149.3-3.1112.4N190 E192 K270 A271 I272 T277 N278N190-R274 WeakPolarHBondContact O-CD 3.46Å; N190-R274 PolarHBondContact O-NH1 3.14Å; E192-R274 IonicContact OE1-NH1 3.41Å; E192-R274 PolarHBondContact OE1-NH1 2.87Å; K270-R274 VanDerWaalsContact O-CG 3.32Å; K270-R274 WeakPolarHBondContact O-CG 3.23Å; K270-R274 PolarHBondContact O-N 3.09Å; A271-R274 PolarHBondContact O-N 3.14Å; I272-R274 VanDerWaalsContact C-N 3.34Å; I272-R274 PolarHBondContact O-N 3.05Å; R274-T277 PolarHBondContact O-N 3.38Å; R274-N278 WeakPolarHBondContact O-CB 3.29Å; R274-N278 VanDerWaalsContact O-CG 3.27Å; R274-N278 PolarHBondContact O-N 2.92Å; R274-N278 PolarHBondContact O-ND2 3.48Å
275R87.7Confident84.5Confident27 Ų2759.9 Ų59.910%0.10231%0.305CS..Hα-helixtrans-65.4-40.3178.9-73172.169.2-170.31.5112P141 G191 D266 D267 A271 I272 F279P141-R275 HydrophobicContact CB-CB 4.45Å; P141-R275 HydrophobicContact CG-CB 4.02Å; G191-R275 WeakPolarHBondContact O-CG 3.43Å; D266-R275 PolarHBondContact O-NH1 3.49Å; D266-R275 VanDerWaalsContact O-NH1 3.12Å; D266-R275 IonicContact OD2-CZ 3.12Å; D266-R275 IonicContact OD2-NE 3.78Å; D266-R275 IonicContact OD2-NH1 3.98Å; D266-R275 PolarHBondContact OD2-NH1 3.35Å; D266-R275 VanDerWaalsContact OD2-NH1 3.12Å; D266-R275 IonicContact OD2-NH2 2.99Å; D267-R275 IonicContact OD1-CZ 3.79Å; D267-R275 IonicContact OD1-NH1 3.06Å; D267-R275 PolarHBondContact OD1-NH1 3.17Å; A271-R275 WeakPolarHBondContact O-CB 3.5Å; A271-R275 WeakPolarHBondContact O-CG 3.23Å; A271-R275 PolarHBondContact O-N 3.48Å; I272-R275 PolarHBondContact O-N 2.72Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 3.15Å
276L87.9Confident85.6Confident14 Ų1457.1 Ų57.17%0.07329%0.287CS..Hα-helixtrans-66-39.8174.2-70.1172.7000111.5P141 L251 K252 L255 I272 D273 F279 K280P141-L276 HydrophobicContact CG-CD2 3.88Å; P141-L276 HydrophobicContact CG-CG 4.43Å; L251-L276 HydrophobicContact CB-CD2 3.71Å; L251-L276 HydrophobicContact CD1-CD2 3.86Å; L251-L276 HydrophobicContact CG-CD2 4.44Å; K252-L276 HydrophobicContact CB-CD1 4.09Å; K252-L276 HydrophobicContact CG-CD1 4.44Å; L255-L276 HydrophobicContact CD1-CD1 4.32Å; L255-L276 HydrophobicContact CD1-CD2 4.02Å; L255-L276 HydrophobicContact CD1-CG 4.09Å; I272-L276 HydrophobicContact CG2-CD1 4.12Å; I272-L276 WeakPolarHBondContact O-CG 3.3Å; I272-L276 PolarHBondContact O-N 3.07Å; D273-L276 PolarHBondContact O-N 2.9Å; L276-F279 PolarHBondContact O-N 2.88Å; L276-K280 WeakPolarHBondContact O-CG 3.46Å; L276-K280 PolarHBondContact O-N 3.02Å
277T88.4Confident86.4Confident67 Ų6757.6 Ų57.641%0.41129%0.29SS..Hα-helixtrans-64.6-50.8177.2-56.80000111.5D273 R274 F279 K280 Q281D273-T277 WeakPolarHBondContact O-CB 3.25Å; D273-T277 PolarHBondContact O-N 3.27Å; D273-T277 PolarHBondContact O-OG1 2.82Å; R274-T277 PolarHBondContact O-N 3.38Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 3.13Å; T277-K280 PolarHBondContact O-N 2.96Å; T277-Q281 WeakPolarHBondContact O-CG 3.42Å; T277-Q281 PolarHBondContact O-N 3.49Å
278N87.3Confident86.7Confident40 Ų4063.1 Ų63.121%0.21431%0.314CS..Hα-helixtrans-60.1-41.5176.9-71.5-18.3000111.4R274 Q281 N282R274-N278 WeakPolarHBondContact O-CB 3.29Å; R274-N278 VanDerWaalsContact O-CG 3.27Å; R274-N278 PolarHBondContact O-N 2.92Å; R274-N278 PolarHBondContact O-ND2 3.48Å; N278-Q281 PolarHBondContact O-N 3.06Å; N278-N282 WeakPolarHBondContact O-CB 3.41Å; N278-N282 PolarHBondContact O-N 2.86Å
279F89Confident87.2Confident37 Ų3761.7 Ų61.716%0.16230%0.304CS..Hα-helixtrans-58.3-50.4174.6172.5-105.3000111.3F243 L251 R275 L276 T277 Q281 N282 T283F243-F279 HydrophobicContact CE2-CE2 4.24Å; F243-F279 AromaticContact CE2-CZ 3.99Å; F243-F279 HydrophobicContact CE2-CZ 3.99Å; F243-F279 HydrophobicContact CZ-CZ 4.3Å; L251-F279 HydrophobicContact CD1-CD1 4.48Å; L251-F279 HydrophobicContact CD1-CE1 4.27Å; R275-F279 WeakPolarHBondContact O-CB 3.43Å; R275-F279 PolarHBondContact O-N 3.15Å; L276-F279 PolarHBondContact O-N 2.88Å; T277-F279 VanDerWaalsContact C-N 3.3Å; T277-F279 PolarHBondContact O-N 3.13Å; F279-Q281 VanDerWaalsContact C-N 3.34Å; F279-Q281 PolarHBondContact O-N 3.21Å; F279-N282 PolarHBondContact O-N 3.43Å; F279-T283 WeakPolarHBondContact CD2-OG1 3.49Å; F279-T283 HydrophobicContact CE2-CG2 3.75Å; F279-T283 WeakPolarHBondContact CE2-OG1 3.22Å; F279-T283 HydrophobicContact CZ-CG2 3.8Å; F279-T283 WeakPolarHBondContact O-CB 3.09Å; F279-T283 PolarHBondContact O-N 2.73Å; F279-T283 PolarHBondContact O-OG1 3.05Å
280K86.6Confident87.7Confident103 Ų10356.9 Ų56.945%0.44827%0.273SS..Hα-helixtrans-58.8-43.9178.9-73.9177.3-178.5-170.10112.8N248 L276 T277N248-K280 WeakPolarHBondContact ND2-CE 3.42Å; N248-K280 PolarHBondContact ND2-NZ 3.32Å; N248-K280 VanDerWaalsContact ND2-NZ 3.14Å; N248-K280 WeakPolarHBondContact OD1-CE 3.41Å; L276-K280 WeakPolarHBondContact O-CG 3.46Å; L276-K280 PolarHBondContact O-N 3.02Å; T277-K280 PolarHBondContact O-N 2.96Å
281Q86.9Confident88Confident123 Ų12354.1 Ų54.158%0.57526%0.263SS*.Hα-helixtrans-66.3-41.4-178.1-72.5176.1-19.500112.1T277 N278 F279 P285T277-Q281 WeakPolarHBondContact O-CG 3.42Å; T277-Q281 PolarHBondContact O-N 3.49Å; N278-Q281 PolarHBondContact O-N 3.06Å; F279-Q281 VanDerWaalsContact C-N 3.34Å; F279-Q281 PolarHBondContact O-N 3.21Å; Q281-P285 WeakPolarHBondContact O-CD 3.38Å
282N87.5Confident88.1Confident43 Ų4360.9 Ų60.923%0.2329%0.294CS..Hα-helixtrans-94.1-22.3-171.5-62.1-14000113.9L193 R223 D224 N278 F279 P285 L286L193-N282 VanDerWaalsContact CD1-ND2 3.34Å; L193-N282 WeakPolarHBondContact CD1-ND2 3.44Å; R223-N282 VanDerWaalsContact O-CB 3.23Å; R223-N282 WeakPolarHBondContact O-CB 3.32Å; D224-N282 HydrophobicContact CB-CB 4.14Å; N278-N282 WeakPolarHBondContact O-CB 3.41Å; N278-N282 PolarHBondContact O-N 2.86Å; F279-N282 PolarHBondContact O-N 3.43Å; N282-P285 WeakPolarHBondContact O-CD 3.35Å; N282-P285 WeakPolarHBondContact O-CG 3.46Å; N282-L286 VanDerWaalsContact O-CB 3.26Å; N282-L286 WeakPolarHBondContact O-CB 3.37Å; N282-L286 PolarHBondContact O-N 3.02Å
283T85.5Confident88.1Confident16 Ų1666.3 Ų66.310%0.09831%0.314CS..Hα-helixtrans-73.8-39.9-174.3-62.10000112.8F243 F279 L286 V287F243-T283 HydrophobicContact CD2-CG2 4.49Å; F243-T283 HydrophobicContact CE2-CG2 3.5Å; F243-T283 VanDerWaalsContact CE2-CG2 3.5Å; F243-T283 HydrophobicContact CZ-CG2 3.57Å; F279-T283 WeakPolarHBondContact CD2-OG1 3.49Å; F279-T283 HydrophobicContact CE2-CG2 3.75Å; F279-T283 WeakPolarHBondContact CE2-OG1 3.22Å; F279-T283 HydrophobicContact CZ-CG2 3.8Å; F279-T283 WeakPolarHBondContact O-CB 3.09Å; F279-T283 PolarHBondContact O-N 2.73Å; F279-T283 PolarHBondContact O-OG1 3.05Å; T283-L286 PolarHBondContact O-N 3.12Å; T283-V287 HydrophobicContact CG2-CG2 3.66Å; T283-V287 WeakPolarHBondContact O-CB 3.4Å; T283-V287 VanDerWaalsContact O-CG2 3.31Å; T283-V287 WeakPolarHBondContact O-CG2 3.34Å; T283-V287 PolarHBondContact O-N 3.19Å
284I85.1Confident88.1Confident133 Ų13365 Ų6568%0.68232%0.318SS*.Hα-helixtrans-56.2-53.6179.6-62.3171.9000111.3L286 K288I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.17Å; I284-K288 WeakPolarHBondContact O-CB 3.26Å; I284-K288 PolarHBondContact O-N 3.22Å; I284-K288 VanDerWaalsContact O-N 3.11Å
285P88.5Confident88.2Confident62 Ų6261.3 Ų61.340%0.40331%0.307SS..Hα-helixtrans-66.9-33177.725.5-33.8000112.7V225 Q281 N282 Y289V225-P285 HydrophobicContact CG2-CB 4Å; Q281-P285 WeakPolarHBondContact O-CD 3.38Å; N282-P285 WeakPolarHBondContact O-CD 3.35Å; N282-P285 WeakPolarHBondContact O-CG 3.46Å; P285-Y289 WeakPolarHBondContact O-CB 3.45Å; P285-Y289 PolarHBondContact O-N 2.9Å
286L92.3Very high88.4Confident3 Ų360.8 Ų60.82%0.01631%0.306CS..Hα-helixtrans-67.5-44.9178.1-177.461.5000113.4I138 P222 D224 V225 A228 N282 T283 I284 Y289 F290I138-L286 HydrophobicContact CD1-CD2 4.37Å; P222-L286 HydrophobicContact CG-CD1 4.08Å; P222-L286 HydrophobicContact CG-CD2 4.32Å; P222-L286 WeakPolarHBondContact O-CD2 3.38Å; D224-L286 WeakPolarHBondContact O-CD1 3.4Å; V225-L286 HydrophobicContact CG2-CB 4.3Å; V225-L286 HydrophobicContact CG2-CD1 4.42Å; A228-L286 HydrophobicContact CB-CD1 3.91Å; N282-L286 VanDerWaalsContact O-CB 3.26Å; N282-L286 WeakPolarHBondContact O-CB 3.37Å; N282-L286 PolarHBondContact O-N 3.02Å; T283-L286 PolarHBondContact O-N 3.12Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.17Å; L286-Y289 WeakPolarHBondContact O-CB 3.33Å; L286-Y289 PolarHBondContact O-N 3.45Å; L286-F290 HydrophobicContact CD1-CD2 4Å; L286-F290 HydrophobicContact CD1-CE2 3.52Å; L286-F290 HydrophobicContact CD1-CZ 4.42Å; L286-F290 HydrophobicContact CG-CD2 4.26Å; L286-F290 HydrophobicContact CG-CE2 4.09Å; L286-F290 WeakPolarHBondContact O-CD2 3.47Å; L286-F290 PolarHBondContact O-N 3.17Å
287V89.6Confident88.6Confident15 Ų1561.4 Ų61.49%0.09131%0.31CS..Hα-helixtrans-64-45.6176.9168.60000109.4F243 T283 Y289 F290 Q291 I296F243-V287 HydrophobicContact CD1-CG2 3.84Å; F243-V287 HydrophobicContact CD2-CG2 4.11Å; F243-V287 HydrophobicContact CE1-CG2 3.84Å; F243-V287 HydrophobicContact CE2-CG2 4.08Å; F243-V287 HydrophobicContact CG-CG2 4Å; F243-V287 HydrophobicContact CZ-CG2 3.96Å; T283-V287 HydrophobicContact CG2-CG2 3.66Å; T283-V287 WeakPolarHBondContact O-CB 3.4Å; T283-V287 VanDerWaalsContact O-CG2 3.31Å; T283-V287 WeakPolarHBondContact O-CG2 3.34Å; T283-V287 PolarHBondContact O-N 3.19Å; V287-Y289 VanDerWaalsContact C-N 3.32Å; V287-Y289 PolarHBondContact O-N 3.06Å; V287-F290 PolarHBondContact O-N 2.98Å; V287-Q291 HydrophobicContact CG1-CG 4.08Å; V287-Q291 WeakPolarHBondContact O-CB 3.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.39Å; V287-Q291 PolarHBondContact O-N 3.05Å; V287-I296 HydrophobicContact CB-CD1 4.28Å; V287-I296 HydrophobicContact CG1-CD1 4.07Å; V287-I296 HydrophobicContact CG2-CD1 4.14Å
288K86.8Confident88.7Confident120 Ų12061.5 Ų61.552%0.52231%0.311SS..Hα-helixtrans-57.6-44.9176-175.7174.3173.6177.50111.9I284 F290 Q291 E292I284-K288 WeakPolarHBondContact O-CB 3.26Å; I284-K288 PolarHBondContact O-N 3.22Å; I284-K288 VanDerWaalsContact O-N 3.11Å; K288-F290 PolarHBondContact O-N 3.47Å; K288-Q291 PolarHBondContact O-N 2.9Å; K288-E292 WeakPolarHBondContact CE-OE1 3.38Å; K288-E292 HydrophobicContact CG-CG 4.48Å; K288-E292 IonicContact NZ-OE1 2.92Å; K288-E292 WeakPolarHBondContact O-CG 3.48Å; K288-E292 PolarHBondContact O-N 2.79Å
289Y92.6Very high88.8Confident28 Ų2860.5 Ų60.511%0.1131%0.305CS..Hα-helixtrans-55.2-47.5177.2170.7-94.8000112.8V225 A228 L229 E232 P285 L286 V287 R293V225-Y289 HydrophobicContact CG1-CD2 4.11Å; V225-Y289 HydrophobicContact CG1-CG 4.26Å; A228-Y289 HydrophobicContact CB-CD1 4.27Å; A228-Y289 HydrophobicContact CB-CE1 3.95Å; L229-Y289 HydrophobicContact CD2-CE2 3.81Å; L229-Y289 WeakPolarHBondContact CD2-OH 3.39Å; L229-Y289 HydrophobicContact CG-CE2 4.44Å; E232-Y289 WeakPolarHBondContact OE1-CE1 3.49Å; E232-Y289 PolarHBondContact OE1-OH 3.3Å; E232-Y289 PolarHBondContact OE2-OH 3.27Å; P285-Y289 WeakPolarHBondContact O-CB 3.45Å; P285-Y289 PolarHBondContact O-N 2.9Å; L286-Y289 WeakPolarHBondContact O-CB 3.33Å; L286-Y289 PolarHBondContact O-N 3.45Å; V287-Y289 VanDerWaalsContact C-N 3.32Å; V287-Y289 PolarHBondContact O-N 3.06Å; Y289-R293 PolarHBondContact OH-NE 3.18Å; Y289-R293 PolarHBondContact OH-NH1 2.88Å; Y289-R293 PolarHBondContact OH-NH2 2.89Å
290F91.3Very high88.7Confident1 Ų161.9 Ų61.90%0.00431%0.314CS..Hα-helixtrans-78.5-25.7178.4-68.8-64.3000113.8L136 P222 A228 P238 V241 L286 V287 K288 R293 G294 L295 I296L136-F290 HydrophobicContact CD1-CZ 4.44Å; P222-F290 HydrophobicContact CG-CE2 3.8Å; P222-F290 HydrophobicContact CG-CZ 3.88Å; A228-F290 HydrophobicContact CB-CE1 4.43Å; A228-F290 HydrophobicContact CB-CE2 4.14Å; A228-F290 HydrophobicContact CB-CZ 3.66Å; P238-F290 HydrophobicContact CG-CE1 4.22Å; V241-F290 HydrophobicContact CB-CD2 4.46Å; V241-F290 HydrophobicContact CB-CG 4.39Å; V241-F290 HydrophobicContact CG1-CD2 4.01Å; V241-F290 HydrophobicContact CG1-CE2 4.16Å; V241-F290 HydrophobicContact CG1-CG 4.42Å; V241-F290 HydrophobicContact CG2-CD1 3.74Å; V241-F290 HydrophobicContact CG2-CD2 4.18Å; V241-F290 HydrophobicContact CG2-CE1 3.75Å; V241-F290 HydrophobicContact CG2-CE2 4.16Å; V241-F290 HydrophobicContact CG2-CG 3.97Å; V241-F290 HydrophobicContact CG2-CZ 3.95Å; L286-F290 HydrophobicContact CD1-CD2 4Å; L286-F290 HydrophobicContact CD1-CE2 3.52Å; L286-F290 HydrophobicContact CD1-CZ 4.42Å; L286-F290 HydrophobicContact CG-CD2 4.26Å; L286-F290 HydrophobicContact CG-CE2 4.09Å; L286-F290 WeakPolarHBondContact O-CD2 3.47Å; L286-F290 PolarHBondContact O-N 3.17Å; V287-F290 PolarHBondContact O-N 2.98Å; K288-F290 PolarHBondContact O-N 3.47Å; F290-R293 PolarHBondContact O-N 2.83Å; F290-G294 PolarHBondContact O-N 2.75Å; F290-L295 HydrophobicContact CD1-CB 4.44Å; F290-L295 PolarHBondContact O-N 2.89Å; F290-L295 VanDerWaalsContact O-N 3.15Å; F290-I296 VanDerWaalsContact C-CG2 3.47Å; F290-I296 HydrophobicContact CB-CB 3.64Å; F290-I296 HydrophobicContact CB-CD1 4.07Å; F290-I296 HydrophobicContact CB-CG1 4.42Å; F290-I296 HydrophobicContact CB-CG2 3.93Å
291Q89.9Confident88.8Confident109 Ų10957.1 Ų57.151%0.50929%0.294SS..Hα-helixtrans-64.7-46.4174.6-80.8178.5-27.200110.9V287 K288 R293 G294 I296V287-Q291 HydrophobicContact CG1-CG 4.08Å; V287-Q291 WeakPolarHBondContact O-CB 3.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.39Å; V287-Q291 PolarHBondContact O-N 3.05Å; K288-Q291 PolarHBondContact O-N 2.9Å; Q291-R293 PolarHBondContact O-N 3.5Å; Q291-R293 VanDerWaalsContact O-N 3.16Å; Q291-G294 PolarHBondContact O-N 3.37Å; Q291-I296 VanDerWaalsContact CA-CG2 3.46Å; Q291-I296 HydrophobicContact CB-CG2 4.04Å; Q291-I296 HydrophobicContact CG-CG2 3.43Å; Q291-I296 VanDerWaalsContact CG-CG2 3.43Å; Q291-I296 VanDerWaalsContact N-CG2 3.33Å
292E88.3Confident88.7Confident143 Ų14353.4 Ų53.467%0.66828%0.279SS*.Hα-helixtrans-60.9-24.5177.6-72.5174.7179.500112.7K288K288-E292 WeakPolarHBondContact CE-OE1 3.38Å; K288-E292 HydrophobicContact CG-CG 4.48Å; K288-E292 IonicContact NZ-OE1 2.92Å; K288-E292 WeakPolarHBondContact O-CG 3.48Å; K288-E292 PolarHBondContact O-N 2.79Å
293R85.7Confident88.4Confident121 Ų12157 Ų5746%0.45729%0.289SS..THydrogen-bonded Turntrans-93.7-5.4177.1-66.5-176.8171.4-142.78114.3E232 Y289 F290 Q291 L295E232-R293 IonicContact OE1-NH1 3.87Å; E232-R293 IonicContact OE2-CZ 3.93Å; E232-R293 IonicContact OE2-NH1 3.06Å; E232-R293 PolarHBondContact OE2-NH1 2.76Å; E232-R293 IonicContact OE2-NH2 3.61Å; Y289-R293 PolarHBondContact OH-NE 3.18Å; Y289-R293 PolarHBondContact OH-NH1 2.88Å; Y289-R293 PolarHBondContact OH-NH2 2.89Å; F290-R293 PolarHBondContact O-N 2.83Å; Q291-R293 PolarHBondContact O-N 3.5Å; Q291-R293 VanDerWaalsContact O-N 3.16Å; R293-L295 HydrophobicContact CB-CD1 4.12Å; R293-L295 HydrophobicContact CB-CG 4.1Å; R293-L295 PolarHBondContact O-N 2.87Å
294G85.6Confident88.3Confident47 Ų4759 Ų5949%0.48530%0.299SS..THydrogen-bonded Turntrans69.412.2-177.700000115.1F290 Q291 K319F290-G294 PolarHBondContact O-N 2.75Å; Q291-G294 PolarHBondContact O-N 3.37Å; G294-K319 PolarHBondContact O-NZ 2.92Å
295L88.7Confident88.1Confident36 Ų3654.3 Ų54.319%0.18827%0.274CS..  trans-92.4-8.2-173.8-65.6176.8000113.8T237 V241 F290 R293T237-L295 HydrophobicContact CG2-CD1 3.89Å; V241-L295 PolarHBondContact N-O 3.38Å; F290-L295 HydrophobicContact CD1-CB 4.44Å; F290-L295 PolarHBondContact O-N 2.89Å; F290-L295 VanDerWaalsContact O-N 3.15Å; R293-L295 HydrophobicContact CB-CD1 4.12Å; R293-L295 HydrophobicContact CB-CG 4.1Å; R293-L295 PolarHBondContact O-N 2.87Å
296I92.4Very high87.8Confident16 Ų1653.9 Ų53.98%0.08227%0.267CS..EExtended strand (participates in β ladder)trans-106.4149.1-175.7-169.4165.2000113I138 V241 F243 V287 F290 Q291I138-I296 HydrophobicContact CD1-CD1 3.96Å; V241-I296 HydrophobicContact CB-CB 4.23Å; V241-I296 HydrophobicContact CB-CG1 4.28Å; V241-I296 HydrophobicContact CG1-CD1 4.31Å; V241-I296 HydrophobicContact CG1-CG1 4.19Å; V241-I296 CarbonylContact O-C 3.39Å; V241-I296 VanDerWaalsContact O-CA 3.25Å; V241-I296 WeakPolarHBondContact O-CA 3.17Å; F243-I296 HydrophobicContact CB-CD1 3.83Å; F243-I296 HydrophobicContact CB-CG1 4.04Å; V287-I296 HydrophobicContact CB-CD1 4.28Å; V287-I296 HydrophobicContact CG1-CD1 4.07Å; V287-I296 HydrophobicContact CG2-CD1 4.14Å; F290-I296 VanDerWaalsContact C-CG2 3.47Å; F290-I296 HydrophobicContact CB-CB 3.64Å; F290-I296 HydrophobicContact CB-CD1 4.07Å; F290-I296 HydrophobicContact CB-CG1 4.42Å; F290-I296 HydrophobicContact CB-CG2 3.93Å; Q291-I296 VanDerWaalsContact CA-CG2 3.46Å; Q291-I296 HydrophobicContact CB-CG2 4.04Å; Q291-I296 HydrophobicContact CG-CG2 3.43Å; Q291-I296 VanDerWaalsContact CG-CG2 3.43Å; Q291-I296 VanDerWaalsContact N-CG2 3.33Å
297V91.7Very high87.1Confident27 Ų2755.7 Ų55.716%0.16428%0.275CS..EExtended strand (participates in β ladder)trans-129.7131.7165.8177.10000108.9L240 V241 F243 L299 T315 K319L240-V297 HydrophobicContact CD1-CG2 4.03Å; V241-V297 PolarHBondContact O-N 3.34Å; F243-V297 PolarHBondContact N-O 3.09Å; V297-L299 HydrophobicContact CG1-CD2 4.16Å; V297-L299 HydrophobicContact CG1-CG 4.22Å; V297-T315 HydrophobicContact CB-CG2 3.66Å; V297-T315 HydrophobicContact CG1-CG2 3.55Å; V297-T315 HydrophobicContact CG2-CG2 3.47Å; V297-T315 VanDerWaalsContact CG2-CG2 3.47Å; V297-K319 HydrophobicContact CG2-CD 4.06Å
298T90.5Very high86.9Confident68 Ų6855.2 Ų55.242%0.41727%0.272SS..EExtended strand (participates in β ladder)trans-102.3128.7-178.5-59.60000109.5F243 A245F243-T298 HydrophobicContact CD1-CG2 3.65Å; F243-T298 HydrophobicContact CE1-CG2 4.13Å; F243-T298 WeakPolarHBondContact O-CA 3.39Å; A245-T298 HydrophobicContact CB-CG2 3.98Å
299L90.1Very high87Confident19 Ų1950.6 Ų50.610%0.09925%0.252CS..EExtended strand (participates in β ladder)trans-129.2138.2-178.5-62.6174000110.2V242 F243 L244 A245 V297 A301 N311 I312V242-L299 HydrophobicContact CG1-CD1 4.12Å; F243-L299 PolarHBondContact O-N 3.04Å; L244-L299 HydrophobicContact CD2-CB 4.37Å; A245-L299 PolarHBondContact N-O 3.42Å; V297-L299 HydrophobicContact CG1-CD2 4.16Å; V297-L299 HydrophobicContact CG1-CG 4.22Å; L299-A301 PolarHBondContact O-N 3.44Å; L299-N311 HydrophobicContact CD1-CB 4.41Å; L299-N311 HydrophobicContact CD2-CB 3.83Å; L299-I312 HydrophobicContact CD1-CB 4.01Å; L299-I312 HydrophobicContact CD1-CD1 4.44Å; L299-I312 HydrophobicContact CD1-CG1 3.21Å
300D87.4Confident86.5Confident66 Ų6650.1 Ų50.135%0.35325%0.252SS..EExtended strand (participates in β ladder)trans-76111.3177.4177.613.1000110.4D302 R303 V308D300-D302 WeakPolarHBondContact OD1-CB 2.93Å; D300-D302 PolarHBondContact OD1-N 3.26Å; D300-R303 HydrophobicContact CB-CG 4.47Å; D300-R303 WeakPolarHBondContact OD2-CG 3.08Å; D300-R303 IonicContact OD2-CZ 3.24Å; D300-R303 IonicContact OD2-NE 2.88Å; D300-R303 PolarHBondContact OD2-NE 3.45Å; D300-R303 IonicContact OD2-NH2 2.74Å; D300-V308 WeakPolarHBondContact O-CG2 2.88Å
301A89.1Confident86.1Confident3 Ų352.3 Ų52.33%0.02526%0.264CS..  trans-101.511-17800000113.7L244 A245 C246 R254 L299L244-A301 HydrophobicContact CB-CB 3.84Å; L244-A301 HydrophobicContact CD2-CB 4.49Å; A245-A301 WeakPolarHBondContact O-CA 3.25Å; A245-A301 WeakPolarHBondContact O-CB 3.41Å; A245-A301 PolarHBondContact O-N 2.7Å; C246-A301 HydrophobicContact CB-CB 4.22Å; R254-A301 PolarHBondContact NH1-O 3.21Å; R254-A301 PolarHBondContact NH2-O 2.88Å; L299-A301 PolarHBondContact O-N 3.44Å
302D83.8Confident86.1Confident46 Ų4647.1 Ų47.125%0.24624%0.24CC..SBendtrans-75.8-18.8165.4-74.8-19.2000112.2C246 T247 H250 D300C246-D302 WeakPolarHBondContact CA-OD1 3.4Å; C246-D302 PolarHBondContact SG-OD1 2.95Å; T247-D302 VanDerWaalsContact CB-OD2 3.28Å; T247-D302 WeakPolarHBondContact CB-OD2 3.41Å; T247-D302 WeakPolarHBondContact CG2-OD2 3.45Å; T247-D302 PolarHBondContact N-OD1 3.46Å; T247-D302 PolarHBondContact N-OD2 3.21Å; T247-D302 PolarHBondContact OG1-OD1 3.27Å; T247-D302 PolarHBondContact OG1-OD2 2.92Å; H250-D302 IonicContact CE1-OD1 2.93Å; H250-D302 IonicContact CG-OD1 3.93Å; H250-D302 IonicContact ND1-OD1 3.59Å; H250-D302 PolarHBondContact ND1-OD1 2.82Å; H250-D302 IonicContact ND1-OD2 3.74Å; D300-D302 WeakPolarHBondContact OD1-CB 2.93Å; D300-D302 PolarHBondContact OD1-N 3.26Å
303R81.9Confident86Confident118 Ų11840.4 Ų40.445%0.44521%0.209SC..SBendtrans-73.8178.1177.4-50.3-168-170.7-175.6-1.9112.6D300 E307 V308D300-R303 HydrophobicContact CB-CG 4.47Å; D300-R303 WeakPolarHBondContact OD2-CG 3.08Å; D300-R303 IonicContact OD2-CZ 3.24Å; D300-R303 IonicContact OD2-NE 2.88Å; D300-R303 PolarHBondContact OD2-NE 3.45Å; D300-R303 IonicContact OD2-NH2 2.74Å; R303-E307 VanDerWaalsContact CD-CD 3.48Å; R303-E307 WeakPolarHBondContact CD-OE1 2.89Å; R303-E307 IonicContact CZ-OE1 3.63Å; R303-E307 IonicContact NE-OE1 3.38Å; R303-E307 IonicContact NH1-OE1 2.77Å; R303-E307 PolarHBondContact NH1-OE1 2.79Å; R303-V308 HydrophobicContact CB-CG2 4.18Å
304D83.4Confident85.7Confident59 Ų5938.1 Ų38.132%0.31620%0.204SC..  trans-62144.8177.7-168.3-109.6000111.4E306 E307 V308D304-E306 VanDerWaalsContact C-N 3.25Å; D304-E306 PolarHBondContact O-N 3.46Å; D304-E306 VanDerWaalsContact OD1-OE2 3.05Å; D304-E307 HydrophobicContact CB-CB 4.36Å; D304-E307 PolarHBondContact O-N 3.13Å; D304-V308 VanDerWaalsContact O-CG2 3.27Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.12Å
305E81.6Confident85.6Confident34 Ų3437.1 Ų37.116%0.15919%0.189CC..Hα-helixtrans-60.4-37.8-172-173.6-170.8126.800112.1T147 Q148 K151 F309 S503T147-E305 HydrophobicContact CG2-CG 4.28Å; T147-E305 WeakPolarHBondContact CG2-OE1 3.5Å; Q148-E305 PolarHBondContact NE2-O 2.87Å; K151-E305 VanDerWaalsContact CE-OE1 3.22Å; K151-E305 WeakPolarHBondContact CE-OE1 3.4Å; K151-E305 IonicContact NZ-OE1 2.71Å; K151-E305 PolarHBondContact NZ-OE1 2.96Å; E305-F309 PolarHBondContact O-N 3.01Å; E305-S503 WeakPolarHBondContact OE2-CB 3.22Å
306E81.7Confident85.5Confident53 Ų5335.4 Ų35.425%0.24818%0.18CC..Hα-helixtrans-66.3-49.5176.6-71.955.1-129.100110.3K151 D304 V308 F309 C310 L333K151-E306 IonicContact NZ-OE1 2.7Å; K151-E306 PolarHBondContact NZ-OE1 2.99Å; D304-E306 VanDerWaalsContact C-N 3.25Å; D304-E306 PolarHBondContact O-N 3.46Å; D304-E306 VanDerWaalsContact OD1-OE2 3.05Å; E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 2.88Å; E306-F309 WeakPolarHBondContact O-CA 3.47Å; E306-F309 WeakPolarHBondContact O-CB 3.38Å; E306-F309 PolarHBondContact O-N 2.61Å; E306-C310 PolarHBondContact O-N 3.39Å; E306-L333 HydrophobicContact CB-CD2 4.33Å; E306-L333 WeakPolarHBondContact O-CD2 3.07Å
307E77.8Confident85.2Confident41 Ų4136.9 Ų36.919%0.19219%0.188CC..Hα-helixtrans-58.5-41.5178.5-167.5-169.115600112.1R303 D304 F309 C310 N311 L335R303-E307 VanDerWaalsContact CD-CD 3.48Å; R303-E307 WeakPolarHBondContact CD-OE1 2.89Å; R303-E307 IonicContact CZ-OE1 3.63Å; R303-E307 IonicContact NE-OE1 3.38Å; R303-E307 IonicContact NH1-OE1 2.77Å; R303-E307 PolarHBondContact NH1-OE1 2.79Å; D304-E307 HydrophobicContact CB-CB 4.36Å; D304-E307 PolarHBondContact O-N 3.13Å; E307-F309 VanDerWaalsContact C-N 3.33Å; E307-F309 PolarHBondContact O-N 3.36Å; E307-C310 VanDerWaalsContact O-CB 3.28Å; E307-C310 WeakPolarHBondContact O-CB 2.99Å; E307-C310 PolarHBondContact O-N 3.26Å; E307-N311 PolarHBondContact O-N 2.93Å; E307-N311 VanDerWaalsContact O-N 3.13Å; E307-N311 PolarHBondContact O-ND2 2.98Å; E307-N311 VanDerWaalsContact O-ND2 3.1Å; E307-L335 HydrophobicContact CG-CD2 4.31Å
308V85.6Confident84.7Confident4 Ų440.6 Ų40.62%0.02421%0.207CC..Hα-helixtrans-60.2-45.7174.6176.40000110.5Q148 L244 D300 R303 D304 E306 C310 N311 I312Q148-V308 HydrophobicContact CG-CG1 4.12Å; L244-V308 HydrophobicContact CD2-CG1 3.97Å; D300-V308 WeakPolarHBondContact O-CG2 2.88Å; R303-V308 HydrophobicContact CB-CG2 4.18Å; D304-V308 VanDerWaalsContact O-CG2 3.27Å; D304-V308 WeakPolarHBondContact O-CG2 3.37Å; D304-V308 PolarHBondContact O-N 3.12Å; E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 2.88Å; V308-C310 PolarHBondContact O-N 3.44Å; V308-N311 PolarHBondContact O-N 2.82Å; V308-I312 HydrophobicContact CG1-CD1 3.95Å; V308-I312 HydrophobicContact CG1-CG1 4.49Å; V308-I312 VanDerWaalsContact O-CG1 3.25Å; V308-I312 WeakPolarHBondContact O-CG1 3.42Å; V308-I312 PolarHBondContact O-N 3.35Å
309F88.6Confident84.3Confident24 Ų2442 Ų4211%0.10521%0.207CC..Hα-helixtrans-62.7-33.7177.9-174.6-118000112.5Q148 K151 I152 R155 E305 E306 E307 I312 S313 L333Q148-F309 VanDerWaalsContact OE1-CA 3.27Å; K151-F309 VanDerWaalsContact C-CE2 3.42Å; K151-F309 HydrophobicContact CB-CD1 4.4Å; K151-F309 HydrophobicContact CB-CD2 3.49Å; K151-F309 VanDerWaalsContact CB-CD2 3.49Å; K151-F309 HydrophobicContact CB-CE1 4.2Å; K151-F309 HydrophobicContact CB-CE2 3.29Å; K151-F309 HydrophobicContact CB-CG 4.07Å; K151-F309 HydrophobicContact CB-CZ 3.67Å; K151-F309 HydrophobicContact CD-CB 4.18Å; K151-F309 HydrophobicContact CD-CD1 4.25Å; K151-F309 HydrophobicContact CD-CD2 4.09Å; K151-F309 HydrophobicContact CD-CG 3.89Å; K151-F309 HydrophobicContact CG-CD2 4.42Å; K151-F309 WeakPolarHBondContact O-CZ 3.43Å; I152-F309 HydrophobicContact CG1-CE2 4.03Å; R155-F309 HydrophobicContact CB-CZ 4.03Å; E305-F309 PolarHBondContact O-N 3.01Å; E306-F309 WeakPolarHBondContact O-CA 3.47Å; E306-F309 WeakPolarHBondContact O-CB 3.38Å; E306-F309 PolarHBondContact O-N 2.61Å; E307-F309 VanDerWaalsContact C-N 3.33Å; E307-F309 PolarHBondContact O-N 3.36Å; F309-I312 PolarHBondContact O-N 3.11Å; F309-S313 WeakPolarHBondContact CZ-OG 3.31Å; F309-S313 WeakPolarHBondContact O-CB 3.42Å; F309-S313 PolarHBondContact O-N 2.92Å; F309-S313 PolarHBondContact O-OG 2.85Å; F309-L333 HydrophobicContact CB-CD2 4.34Å; F309-L333 HydrophobicContact CD1-CD1 4.43Å; F309-L333 HydrophobicContact CD1-CD2 4.11Å
310C81.9Confident83.8Confident17 Ų1741.7 Ų41.712%0.11521%0.206CC..Hα-helixtrans-60.1-54.4175.1-172.50000112.2E306 E307 V308 I312 S313 M314 L333E306-C310 PolarHBondContact O-N 3.39Å; E307-C310 VanDerWaalsContact O-CB 3.28Å; E307-C310 WeakPolarHBondContact O-CB 2.99Å; E307-C310 PolarHBondContact O-N 3.26Å; V308-C310 PolarHBondContact O-N 3.44Å; C310-I312 VanDerWaalsContact C-N 3.25Å; C310-I312 PolarHBondContact O-N 3.25Å; C310-S313 PolarHBondContact O-N 3.39Å; C310-S313 VanDerWaalsContact O-N 3.1Å; C310-M314 WeakPolarHBondContact O-CG 3.36Å; C310-M314 PolarHBondContact O-N 3.03Å; C310-M314 VanDerWaalsContact SG-CE 3.54Å; C310-L333 HydrophobicContact CB-CB 3.55Å; C310-L333 HydrophobicContact CB-CD1 3.43Å; C310-L333 VanDerWaalsContact CB-CD1 3.43Å; C310-L333 HydrophobicContact CB-CD2 3.5Å; C310-L333 VanDerWaalsContact CB-CD2 3.5Å; C310-L333 HydrophobicContact CB-CG 3.55Å; C310-L333 WeakPolarHBondContact SG-CB 3.32Å
311N83.7Confident83.5Confident48 Ų4843.3 Ų43.326%0.25721%0.209SC..Hα-helixtrans-61.9-37.3-179.8-66.9-46.2000111.6L299 E307 V308 T315L299-N311 HydrophobicContact CD1-CB 4.41Å; L299-N311 HydrophobicContact CD2-CB 3.83Å; E307-N311 PolarHBondContact O-N 2.93Å; E307-N311 VanDerWaalsContact O-N 3.13Å; E307-N311 PolarHBondContact O-ND2 2.98Å; E307-N311 VanDerWaalsContact O-ND2 3.1Å; V308-N311 PolarHBondContact O-N 2.82Å; N311-T315 WeakPolarHBondContact O-CB 3.26Å; N311-T315 PolarHBondContact O-N 3.02Å; N311-T315 VanDerWaalsContact O-N 3.07Å; N311-T315 PolarHBondContact O-OG1 2.95Å
312I87.9Confident81.9Confident0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-61.5-49.5173.9-66.3167.9000110.8Q148 I152 V242 L244 L299 V308 F309 C310 T315 L316Q148-I312 HydrophobicContact CB-CD1 3.69Å; Q148-I312 HydrophobicContact CG-CD1 3.77Å; I152-I312 HydrophobicContact CD1-CG2 3.58Å; I152-I312 HydrophobicContact CG1-CG2 3.76Å; V242-I312 HydrophobicContact CG1-CD1 4.36Å; V242-I312 HydrophobicContact CG1-CG1 4.04Å; V242-I312 HydrophobicContact CG1-CG2 4.47Å; L244-I312 HydrophobicContact CD2-CD1 3.91Å; L244-I312 HydrophobicContact CD2-CG1 4.42Å; L299-I312 HydrophobicContact CD1-CB 4.01Å; L299-I312 HydrophobicContact CD1-CD1 4.44Å; L299-I312 HydrophobicContact CD1-CG1 3.21Å; V308-I312 HydrophobicContact CG1-CD1 3.95Å; V308-I312 HydrophobicContact CG1-CG1 4.49Å; V308-I312 VanDerWaalsContact O-CG1 3.25Å; V308-I312 WeakPolarHBondContact O-CG1 3.42Å; V308-I312 PolarHBondContact O-N 3.35Å; F309-I312 PolarHBondContact O-N 3.11Å; C310-I312 VanDerWaalsContact C-N 3.25Å; C310-I312 PolarHBondContact O-N 3.25Å; I312-T315 WeakPolarHBondContact O-CB 3.29Å; I312-T315 PolarHBondContact O-N 3.14Å; I312-L316 HydrophobicContact CG2-CD1 3.64Å; I312-L316 HydrophobicContact CG2-CG 4.24Å; I312-L316 WeakPolarHBondContact O-CB 3.24Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.16Å
313S86.5Confident79.8Confident1 Ų150.8 Ų50.81%0.00726%0.263CS..Hα-helixtrans-63.6-45.9-176.5-58.90000111.3R155 Y156 F309 C310 T315 L316 D317R155-S313 VanDerWaalsContact CZ-CB 3.45Å; Y156-S313 PolarHBondContact OH-O 3.04Å; F309-S313 WeakPolarHBondContact CZ-OG 3.31Å; F309-S313 WeakPolarHBondContact O-CB 3.42Å; F309-S313 PolarHBondContact O-N 2.92Å; F309-S313 PolarHBondContact O-OG 2.85Å; C310-S313 PolarHBondContact O-N 3.39Å; C310-S313 VanDerWaalsContact O-N 3.1Å; S313-T315 VanDerWaalsContact C-N 3.28Å; S313-T315 PolarHBondContact O-N 2.68Å; S313-L316 PolarHBondContact O-N 3.21Å; S313-L316 VanDerWaalsContact O-N 3.16Å; S313-D317 WeakPolarHBondContact O-CB 3.3Å; S313-D317 PolarHBondContact O-N 3.04Å
314M79.1Confident77.5Confident74 Ų7454.6 Ų54.637%0.36528%0.283SS..Hα-helixtrans-55.4-44.7173.9-71.3175.1167.300112.1C310 N318 C411C310-M314 WeakPolarHBondContact O-CG 3.36Å; C310-M314 PolarHBondContact O-N 3.03Å; C310-M314 VanDerWaalsContact SG-CE 3.54Å; M314-N318 WeakPolarHBondContact O-CB 3.24Å; M314-N318 PolarHBondContact O-N 3.35Å; M314-N318 PolarHBondContact O-ND2 2.81Å; M314-C411 WeakPolarHBondContact CE-SG 3.44Å
315T84.9Confident74.8Confident25 Ų2560.5 Ų60.515%0.15331%0.308CS..Hα-helixtrans-63.2-44.9178.7-62.50000111.8L240 V297 N311 I312 S313 K319L240-T315 HydrophobicContact CD2-CG2 4.17Å; V297-T315 HydrophobicContact CB-CG2 3.66Å; V297-T315 HydrophobicContact CG1-CG2 3.55Å; V297-T315 HydrophobicContact CG2-CG2 3.47Å; V297-T315 VanDerWaalsContact CG2-CG2 3.47Å; N311-T315 WeakPolarHBondContact O-CB 3.26Å; N311-T315 PolarHBondContact O-N 3.02Å; N311-T315 VanDerWaalsContact O-N 3.07Å; N311-T315 PolarHBondContact O-OG1 2.95Å; I312-T315 WeakPolarHBondContact O-CB 3.29Å; I312-T315 PolarHBondContact O-N 3.14Å; S313-T315 VanDerWaalsContact C-N 3.28Å; S313-T315 PolarHBondContact O-N 2.68Å; T315-K319 WeakPolarHBondContact O-CB 3.3Å; T315-K319 PolarHBondContact O-N 3.35Å
316L86.4Confident72.3Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-65.2-44.7-179.8-76.9169.8000111.5I135 I152 Y156 L240 I312 S313 N318 K319 L320I135-L316 HydrophobicContact CD1-CD1 4.35Å; I135-L316 HydrophobicContact CD1-CD2 3.39Å; I135-L316 HydrophobicContact CG1-CD2 3.97Å; I135-L316 HydrophobicContact CG2-CD2 4.39Å; I152-L316 HydrophobicContact CB-CD1 4.48Å; I152-L316 HydrophobicContact CD1-CD1 4.26Å; I152-L316 HydrophobicContact CG1-CD1 3.99Å; I152-L316 HydrophobicContact CG2-CD1 3.66Å; Y156-L316 HydrophobicContact CD2-CD1 4.29Å; Y156-L316 HydrophobicContact CE2-CB 4.21Å; Y156-L316 HydrophobicContact CE2-CD1 3.67Å; L240-L316 HydrophobicContact CD2-CD2 3.39Å; L240-L316 HydrophobicContact CD2-CG 4.11Å; I312-L316 HydrophobicContact CG2-CD1 3.64Å; I312-L316 HydrophobicContact CG2-CG 4.24Å; I312-L316 WeakPolarHBondContact O-CB 3.24Å; I312-L316 WeakPolarHBondContact O-CG 3.18Å; I312-L316 PolarHBondContact O-N 3.16Å; S313-L316 PolarHBondContact O-N 3.21Å; S313-L316 VanDerWaalsContact O-N 3.16Å; L316-N318 PolarHBondContact O-N 3.06Å; L316-K319 PolarHBondContact O-N 3.29Å; L316-L320 HydrophobicContact CD2-CD1 3.46Å; L316-L320 VanDerWaalsContact CD2-CD1 3.46Å; L316-L320 HydrophobicContact CD2-CG 4.27Å; L316-L320 WeakPolarHBondContact O-CB 3.37Å; L316-L320 PolarHBondContact O-N 3.08Å
317D85.9Confident69.5Low48 Ų4867.2 Ų67.226%0.25737%0.368SS..Hα-helixtrans-58.9-48.3177.5-68.2-18.9000110.1R155 Y156 S313 K319 F321R155-D317 IonicContact NH2-OD2 3.84Å; R155-D317 PolarHBondContact NH2-OD2 3.41Å; Y156-D317 WeakPolarHBondContact CE1-OD1 3.24Å; Y156-D317 VanDerWaalsContact CZ-OD1 3.23Å; Y156-D317 VanDerWaalsContact OH-CG 3.23Å; Y156-D317 PolarHBondContact OH-OD1 2.88Å; Y156-D317 PolarHBondContact OH-OD2 3.41Å; S313-D317 WeakPolarHBondContact O-CB 3.3Å; S313-D317 PolarHBondContact O-N 3.04Å; D317-K319 PolarHBondContact O-N 2.92Å; D317-F321 CarbonylContact O-C 3.52Å; D317-F321 WeakPolarHBondContact O-CA 3.45Å; D317-F321 PolarHBondContact O-N 2.86Å
318N81.9Confident67Low104 Ų10470.5 Ų70.556%0.55640%0.402SS*.Hα-helixtrans-64.3-39.8179.4-71.1-21.8000113.9M314 L316M314-N318 WeakPolarHBondContact O-CB 3.24Å; M314-N318 PolarHBondContact O-N 3.35Å; M314-N318 PolarHBondContact O-ND2 2.81Å; L316-N318 PolarHBondContact O-N 3.06Å
319K81.4Confident64.2Low97 Ų9773.5 Ų73.542%0.42243%0.434SS..Hα-helixtrans-90.8-38.3-173.3-78.2-164.2169.1-158.90114.4L240 G294 V297 T315 L316 D317L240-K319 HydrophobicContact CD1-CD 3.42Å; L240-K319 VanDerWaalsContact CD1-CD 3.42Å; G294-K319 PolarHBondContact O-NZ 2.92Å; V297-K319 HydrophobicContact CG2-CD 4.06Å; T315-K319 WeakPolarHBondContact O-CB 3.3Å; T315-K319 PolarHBondContact O-N 3.35Å; L316-K319 PolarHBondContact O-N 3.29Å; D317-K319 PolarHBondContact O-N 2.92Å
320L80Confident61.9Low14 Ų1475.1 Ų75.17%0.07345%0.447CS..Hα-helixtrans-97.6-25.3-173.5-61-177.9000113.1I135 D239 L240 L316I135-L320 HydrophobicContact CD1-CD1 3.65Å; I135-L320 HydrophobicContact CG1-CD1 3.76Å; D239-L320 HydrophobicContact CB-CD2 3.46Å; D239-L320 VanDerWaalsContact CB-CD2 3.46Å; L240-L320 HydrophobicContact CB-CD2 4.3Å; L316-L320 HydrophobicContact CD2-CD1 3.46Å; L316-L320 VanDerWaalsContact CD2-CD1 3.46Å; L316-L320 HydrophobicContact CD2-CG 4.27Å; L316-L320 WeakPolarHBondContact O-CB 3.37Å; L316-L320 PolarHBondContact O-N 3.08Å
321F80.2Confident59.5Low99 Ų9977.4 Ų77.443%0.43446%0.463SS..SBendtrans-128.852.8-177.6-52.3-76.2000112Y156 F158 D317 S323Y156-F321 HydrophobicContact CD1-CD2 4.41Å; Y156-F321 AromaticContact CD1-CE2 3.57Å; Y156-F321 HydrophobicContact CD1-CE2 3.57Å; Y156-F321 HydrophobicContact CD1-CZ 4.12Å; Y156-F321 HydrophobicContact CE1-CD2 4.15Å; Y156-F321 AromaticContact CE1-CE2 3.71Å; Y156-F321 HydrophobicContact CE1-CE2 3.71Å; Y156-F321 HydrophobicContact CG-CE2 4.49Å; F158-F321 HydrophobicContact CZ-CE2 4.49Å; F158-F321 AromaticContact CZ-CZ 3.85Å; F158-F321 HydrophobicContact CZ-CZ 3.85Å; D317-F321 CarbonylContact O-C 3.52Å; D317-F321 WeakPolarHBondContact O-CA 3.45Å; D317-F321 PolarHBondContact O-N 2.86Å; F321-S323 PolarHBondContact O-N 3.31Å
322P54.9Low57Low91 Ų9178 Ų7859%0.59147%0.465SS*.  trans-57128.817524.7-32.2000109.3K324P322-K324 PolarHBondContact O-N 3.41Å
323S39.7Very low54.1Low115 Ų11580.6 Ų80.680%0.80448%0.478SS*.  trans-57.1109.7-172.127.40000111.6F321F321-S323 PolarHBondContact O-N 3.31Å
324K34.9Very low51.4Low198 Ų19885.6 Ų85.686%0.86151%0.505SS*.SBendtrans-60.3142133.3-75.8-178.1176.7179.70106.2P322P322-K324 PolarHBondContact O-N 3.41Å
325E25.4Very low49.1Very low183 Ų18387.1 Ų87.186%0.85551%0.514SS*.SBendtrans-36.2150.9-179.6-85.3-176.3160.900115.5A327E325-A327 PolarHBondContact O-N 2.83Å
326P29.7Very low46.5Very low128 Ų12889.1 Ų89.183%0.83152%0.524SS*.  trans-79.5122.7-142.231.3-33.7000112.3
327A23.4Very low43.8Very low100 Ų10095.5 Ų95.583%0.82656%0.557SS**  trans-107.4130.6155.800000108.2E325E325-A327 PolarHBondContact O-N 2.83Å
328A24.8Very low41.1Very low110 Ų11099.1 Ų99.191%0.90958%0.576SS**  trans-56.4151.2-170.800000115.6
329G26.6Very low38.4Very low67 Ų6797.2 Ų97.269%0.69158%0.58SS**  trans128.8145.2139.600000116.5
330P40.8Very low35.8Very low59 Ų59100.9 Ų100.938%0.38360%0.599SS.*  trans-124.1157-13211.713.9000113.9R403P330-R403 VanDerWaalsContact CG-NH2 3.25Å
331S31.3Very low33.1Very low65 Ų65107.2 Ų107.246%0.45564%0.638SS.*  trans-156.886.415643.50000113.8R155R155-S331 VanDerWaalsContact CZ-OG 3.3Å; R155-S331 PolarHBondContact NH1-O 2.74Å; R155-S331 PolarHBondContact NH1-OG 3.04Å
332E30.6Very low30.3Very low61 Ų61105.9 Ų105.929%0.28565%0.653SS.*  trans16.8129.3131.4-83179.8179.900119.2A389 R403 T405E332-A389 WeakPolarHBondContact OE2-CB 3.38Å; E332-R403 VanDerWaalsContact CG-NH1 3.3Å; E332-R403 IonicContact OE1-CZ 3.63Å; E332-R403 IonicContact OE1-NH1 2.8Å; E332-R403 PolarHBondContact OE1-NH1 3.19Å; E332-R403 IonicContact OE2-NH1 2.79Å; E332-T405 HydrophobicContact CG-CG2 3.82Å; E332-T405 WeakPolarHBondContact OE1-CG2 3.42Å
333L27.3Very low28.8Very low54 Ų54106.8 Ų106.828%0.28366%0.661SS.*  trans-136.6146.8152-84.5115000111.2E306 F309 C310E306-L333 HydrophobicContact CB-CD2 4.33Å; E306-L333 WeakPolarHBondContact O-CD2 3.07Å; F309-L333 HydrophobicContact CB-CD2 4.34Å; F309-L333 HydrophobicContact CD1-CD1 4.43Å; F309-L333 HydrophobicContact CD1-CD2 4.11Å; C310-L333 HydrophobicContact CB-CB 3.55Å; C310-L333 HydrophobicContact CB-CD1 3.43Å; C310-L333 VanDerWaalsContact CB-CD1 3.43Å; C310-L333 HydrophobicContact CB-CD2 3.5Å; C310-L333 VanDerWaalsContact CB-CD2 3.5Å; C310-L333 HydrophobicContact CB-CG 3.55Å; C310-L333 WeakPolarHBondContact SG-CB 3.32Å
334D30.1Very low28Very low106 Ų106108.7 Ų108.757%0.56766%0.661SS**  trans-109.9127.6-166.1-154.40.3000110
335L31.5Very low27.4Very low106 Ų106103.4 Ų103.456%0.55566%0.655SS**  trans-122.5110.2179-98.3158.5000108.7E307E307-L335 HydrophobicContact CG-CD2 4.31Å
336N29.9Very low27.3Very low67 Ų67103.9 Ų103.936%0.35866%0.657SS.*  trans-11790.9163.7-83.3-25.1000108.4K464 R513N336-K464 PolarHBondContact OD1-NZ 3.01Å; N336-R513 PolarHBondContact O-NH2 3.14Å
337L30.3Very low26.9Very low134 Ų134105.9 Ų105.970%0.70266%0.655SS**  trans-154.659.5169.9-141.1122.8000112.1
338L28.2Very low26.9Very low124 Ų124108 Ų10865%0.64966%0.658SS**  trans-143.8116.8166.9-66.5179.8000111.7K433L338-K433 HydrophobicContact CD1-CB 4.19Å; L338-K433 HydrophobicContact CD1-CD 4.4Å; L338-K433 HydrophobicContact CD1-CG 4.3Å; L338-K433 HydrophobicContact CD2-CB 4.24Å; L338-K433 HydrophobicContact CD2-CD 3.55Å; L338-K433 VanDerWaalsContact CD2-CE 3.46Å; L338-K433 HydrophobicContact CD2-CG 3.49Å; L338-K433 VanDerWaalsContact CD2-CG 3.49Å; L338-K433 HydrophobicContact CG-CD 4.46Å
339G26.4Very low26.8Very low63 Ų63110.6 Ų110.665%0.64965%0.651SS**  trans154.1114.5171.200000106.5
340E25.7Very low26.6Very low175 Ų175116.8 Ų116.882%0.81866%0.659SS**  -155.4161.859.3-68.2176.5150.800112.7
341T22.8Very low25.7Very low147 Ų147121.9 Ų121.990%0.90268%0.678SS**  trans136.2126.1153.4630000107
342G22.7Very low25.4Very low71 Ų71126.6 Ų126.673%0.73270%0.698SS**  cis155126.18.300000106.5
343S22Very low25Very low109 Ų109132.5 Ų132.576%0.76273%0.725SS**  trans59.6135143.4-165.10000122.3
344L22.6Very low24.9Very low156 Ų156134.8 Ų134.882%0.81775%0.752SS**  trans90.9106.8161.2-61154.5000115.7
345A22.6Very low24.5Very low87 Ų87136.6 Ų136.672%0.71976%0.761SS**  71.9123.796.600000110.8
346E23Very low24.2Very low193 Ų193141.2 Ų141.290%0.90278%0.78SS**  cis-169.7160.149.7-122.2165.1-16600109.5
347E23.2Very low23.9Very low169 Ų169147 Ų14779%0.7981%0.805SS**  trans-63.2150.2176-58.4168.9151.500113
348T22.6Very low23.7Very low145 Ų145150.3 Ų150.389%0.8982%0.817SS**  -167.1131.8127.510.60000113.8
349H22.8Very low23.4Very low165 Ų165151.8 Ų151.876%0.76482%0.821SS**  trans-54.3150.3169.9-64.6-91.5000114.7
350K22.9Very low23.2Very low197 Ų197159.1 Ų159.186%0.85783%0.83SS**  171146.298.4-92.5-175.3-178.9178.90113.8
351E21.9Very low23.2Very low166 Ų166155.5 Ų155.578%0.77683%0.83SS**  trans-47.5153.6170.4-61.4151.5152.600114.6
352N24.6Very low23.2Very low164 Ų164158.3 Ų158.388%0.87783%0.833SS**  -167.4129.9119.1-91.2-23.3000112.5
353Q22.3Very low23.3Very low185 Ų185158.5 Ų158.586%0.86484%0.835SS**  trans-68.4151.4164.6-71.8163.8-28.500111.2
354A24.6Very low23.4Very low102 Ų102158 Ų15884%0.84384%0.838SS**  trans-158.8115.7140.700000109.4
355D22.2Very low23.4Very low143 Ų143156.7 Ų156.777%0.76584%0.836SS**  trans-67.8143.7166.9-57.6-58.9000110.9
356E25.7Very low23.5Very low203 Ų203161.2 Ų161.295%0.94984%0.843SS**  trans-141.6110.6145.4-73.8-168.3164.900108.8
357E22.5Very low23.9Very low189 Ų189157.5 Ų157.588%0.88384%0.838SS**  trans-85.9136.8167.3-68.1176.315200109.4
358E25.8Very low24Very low204 Ų204157.6 Ų157.695%0.95384%0.838SS**  trans-130.4117.2151.6-87.5-167.3163.300109.3
359E21.9Very low24.1Very low155 Ų155156.9 Ų156.972%0.72484%0.837SS**  trans-98.5145175-172.2178.6-15100109.1
360Y23Very low24.3Very low217 Ų217154.6 Ų154.685%0.85184%0.835SS**  trans164.3112133.1-86.7-61.6000110.9
361A25.2Very low24.9Very low99 Ų99153.4 Ų153.482%0.81883%0.833SS**  17499126.100000110.3
362E23.3Very low25.8Very low206 Ų206155.1 Ų155.196%0.96384%0.838SS**  trans-72.2130.4167.8-73.8-176.8139.200111.3
363G23.9Very low27.2Very low74 Ų74156.4 Ų156.476%0.76384%0.835SS**  trans-141.597.4162.800000107.9T365G363-T365 PolarHBondContact O-N 2.66Å
364A25Very low29Very low100 Ų100155.5 Ų155.583%0.82683%0.828SS**  trans-68.4121.6-174.300000112.6
365T23.2Very low30.9Very low128 Ų128152.6 Ų152.679%0.78580%0.801SS**  trans-160127.3145.233.20000110G363G363-T365 PolarHBondContact O-N 2.66Å
366E24.7Very low33.9Very low182 Ų182149.2 Ų149.285%0.8578%0.78SS**  trans76.1104.8158.9-62.8-178169.600118.6H368E366-H368 PolarHBondContact O-N 3.13Å; E366-H368 VanDerWaalsContact O-N 3.08Å
367S30.9Very low37Very low115 Ų115139.7 Ų139.780%0.80474%0.735SS**  trans-46.5103159.650.50000113
368H25.6Very low40.2Very low170 Ų170130.7 Ų130.779%0.78769%0.693SS**  trans-129.6102.9145-86.1-38000108.1E366 T370E366-H368 PolarHBondContact O-N 3.13Å; E366-H368 VanDerWaalsContact O-N 3.08Å; H368-T370 PolarHBondContact O-N 3.49Å
369C23.7Very low43.5Very low130 Ų130121 Ų12188%0.87865%0.648SS**  trans-5889155.2-89.30000107.2E371C369-E371 PolarHBondContact O-N 3.21Å
370T27.7Very low46.8Very low118 Ų118113.6 Ų113.672%0.72461%0.614SS**  trans-72.588.3158.550.10000105.6H368 K372H368-T370 PolarHBondContact O-N 3.49Å; T370-K372 PolarHBondContact O-N 3.4Å
371E34.5Very low50.1Low171 Ų171103.5 Ų103.580%0.79957%0.574SS**  trans-45.5114.1157.5-71.1-173.3166.600106.4C369 K373C369-E371 PolarHBondContact O-N 3.21Å; E371-K373 PolarHBondContact O-N 2.73Å
372K41.2Very low53Low203 Ų20398.9 Ų98.988%0.88354%0.536SS*.  trans-60.693.9173.4-76.8-179.4178.2176.50106.1T370 K374T370-K372 PolarHBondContact O-N 3.4Å; K372-K374 PolarHBondContact O-N 2.86Å
373K54.3Low56Low191 Ų19189 Ų8983%0.8349%0.49SS*.  trans-52.6114.7177.7-80.2-177.7176.2178.70107.1E371E371-K373 PolarHBondContact O-N 2.73Å
374K59.8Low58.7Low165 Ų16586.7 Ų86.772%0.71746%0.461SS*.  trans-52.4137.9174.6-79.3-174.7175.7-175.30108.3K372 K376K372-K374 PolarHBondContact O-N 2.86Å; K374-K376 PolarHBondContact O-N 3.46Å
375P65.8Low61.3Low42 Ų4282.5 Ų82.527%0.27343%0.428SS..  trans-62.1131.2179.427.3-34.8000110.1V377 V451 S480P375-V377 HydrophobicContact CB-CG2 4.16Å; P375-V377 HydrophobicContact CG-CG2 4.46Å; P375-V377 PolarHBondContact O-N 2.91Å; P375-V451 HydrophobicContact CB-CB 4.18Å; P375-V451 HydrophobicContact CB-CG1 4.13Å; P375-V451 HydrophobicContact CB-CG2 3.29Å; P375-V451 HydrophobicContact CG-CG2 3.73Å; P375-S480 PolarHBondContact O-OG 3.38Å
376K84.2Confident64.3Low72 Ų7276.6 Ų76.631%0.31339%0.391SS..  trans-75.292.2177.5-70.9-177.3169-161.40108.6K374 G456 L457 S480 F560K374-K376 PolarHBondContact O-N 3.46Å; K376-G456 CarbonylContact O-C 3.18Å; K376-G456 WeakPolarHBondContact O-CA 3.4Å; K376-L457 PolarHBondContact O-N 3.09Å; K376-S480 WeakPolarHBondContact CA-OG 3.47Å; K376-F560 HydrophobicContact CB-CE2 3.78Å; K376-F560 HydrophobicContact CB-CZ 3.93Å; K376-F560 HydrophobicContact CD-CD1 4.32Å; K376-F560 HydrophobicContact CD-CD2 4.26Å; K376-F560 HydrophobicContact CD-CE1 3.95Å; K376-F560 HydrophobicContact CD-CE2 3.88Å; K376-F560 HydrophobicContact CD-CG 4.48Å; K376-F560 HydrophobicContact CD-CZ 3.73Å; K376-F560 HydrophobicContact CG-CD2 4.45Å; K376-F560 HydrophobicContact CG-CE2 3.98Å; K376-F560 HydrophobicContact CG-CZ 4.22Å; K376-F560 PolarHBondContact NZ-OXT 2.89Å
377V90.2Very high67.2Low3 Ų368.5 Ų68.52%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-114120.6178.8-1750000109.2P375 F379 V447 L457 V459 S480P375-V377 HydrophobicContact CB-CG2 4.16Å; P375-V377 HydrophobicContact CG-CG2 4.46Å; P375-V377 PolarHBondContact O-N 2.91Å; V377-F379 HydrophobicContact CG1-CD1 4.02Å; V377-F379 HydrophobicContact CG1-CE1 3.57Å; V377-F379 HydrophobicContact CG1-CZ 4.4Å; V377-V447 HydrophobicContact CG2-CG1 3.8Å; V377-V447 HydrophobicContact CG2-CG2 4.34Å; V377-L457 WeakPolarHBondContact CA-O 3.35Å; V377-L457 HydrophobicContact CG2-CB 4.44Å; V377-V459 HydrophobicContact CG1-CG2 4.16Å; V377-S480 PolarHBondContact N-OG 2.93Å; V377-S480 WeakPolarHBondContact O-CB 3.3Å; V377-S480 PolarHBondContact O-N 2.68Å
378I91.3Very high69.9Low0 Ų064.6 Ų64.60%033%0.326CS..EExtended strand (participates in β ladder)trans-112.9130.3178-56179.8000109.1L401 L457 V458 V459 A481 V483 I554 F560I378-L401 HydrophobicContact CD1-CD1 3.79Å; I378-L457 PolarHBondContact N-O 2.84Å; I378-V458 HydrophobicContact CB-CG2 4.39Å; I378-V458 CarbonylContact O-C 3.5Å; I378-V458 WeakPolarHBondContact O-CA 3.21Å; I378-V459 PolarHBondContact O-N 3.25Å; I378-A481 WeakPolarHBondContact CA-O 3.41Å; I378-A481 HydrophobicContact CG2-CB 4.45Å; I378-V483 HydrophobicContact CG2-CG2 4.23Å; I378-I554 HydrophobicContact CD1-CD1 3.68Å; I378-I554 HydrophobicContact CD1-CG1 3.95Å; I378-I554 HydrophobicContact CD1-CG2 3.84Å; I378-F560 HydrophobicContact CD1-CD2 4.39Å; I378-F560 HydrophobicContact CD1-CE2 3.59Å; I378-F560 HydrophobicContact CD1-CZ 3.81Å; I378-F560 HydrophobicContact CG1-CE2 3.94Å; I378-F560 HydrophobicContact CG1-CZ 4.46Å
379F93.2Very high72.7Confident0 Ų058.2 Ų58.20%030%0.302CS..EExtended strand (participates in β ladder)trans-98128.3173.3-67-17000110.8V377 V459 F462 P463 Y472 P479 A481 V482 V483 Y528V377-F379 HydrophobicContact CG1-CD1 4.02Å; V377-F379 HydrophobicContact CG1-CE1 3.57Å; V377-F379 HydrophobicContact CG1-CZ 4.4Å; F379-V459 HydrophobicContact CD1-CB 3.84Å; F379-V459 HydrophobicContact CD1-CG2 3.98Å; F379-V459 HydrophobicContact CE1-CB 4.12Å; F379-V459 HydrophobicContact CE1-CG2 3.88Å; F379-F462 HydrophobicContact CD1-CD1 4.32Å; F379-F462 HydrophobicContact CD2-CD1 4.47Å; F379-F462 AromaticContact CE1-CD1 3.9Å; F379-F462 HydrophobicContact CE1-CD1 3.9Å; F379-F462 HydrophobicContact CE1-CE1 4.26Å; F379-F462 HydrophobicContact CE2-CD1 4.08Å; F379-F462 AromaticContact CE2-CE1 3.98Å; F379-F462 HydrophobicContact CE2-CE1 3.98Å; F379-F462 AromaticContact CZ-CD1 3.74Å; F379-F462 HydrophobicContact CZ-CD1 3.74Å; F379-F462 AromaticContact CZ-CE1 3.67Å; F379-F462 HydrophobicContact CZ-CE1 3.67Å; F379-P463 HydrophobicContact CD2-CG 4.48Å; F379-Y472 HydrophobicContact CE1-CE1 4.31Å; F379-Y472 HydrophobicContact CE1-CE2 4.43Å; F379-Y472 AromaticContact CE2-CD1 3.87Å; F379-Y472 HydrophobicContact CE2-CD1 3.87Å; F379-Y472 AromaticContact CE2-CE1 3.97Å; F379-Y472 HydrophobicContact CE2-CE1 3.97Å; F379-Y472 HydrophobicContact CE2-CG 4.43Å; F379-Y472 AromaticContact CZ-CD1 3.53Å; F379-Y472 HydrophobicContact CZ-CD1 3.53Å; F379-Y472 HydrophobicContact CZ-CD2 4.09Å; F379-Y472 AromaticContact CZ-CE1 3.36Å; F379-Y472 HydrophobicContact CZ-CE1 3.36Å; F379-Y472 AromaticContact CZ-CE2 3.92Å; F379-Y472 HydrophobicContact CZ-CE2 3.92Å; F379-Y472 AromaticContact CZ-CG 3.91Å; F379-Y472 HydrophobicContact CZ-CG 3.91Å; F379-Y472 AromaticContact CZ-CZ 3.57Å; F379-P479 HydrophobicContact CD2-CB 3.81Å; F379-P479 HydrophobicContact CD2-CG 3.73Å; F379-P479 HydrophobicContact CE2-CB 3.81Å; F379-P479 HydrophobicContact CE2-CG 3.76Å; F379-P479 HydrophobicContact CG-CB 4.19Å; F379-P479 HydrophobicContact CZ-CB 4.21Å; F379-A481 PolarHBondContact N-O 3.11Å; F379-V482 HydrophobicContact CB-CB 4.46Å; F379-V482 HydrophobicContact CB-CG1 4.12Å; F379-V482 HydrophobicContact CB-CG2 4.15Å; F379-V482 HydrophobicContact CD2-CG2 4.17Å; F379-V482 CarbonylContact O-C 3.49Å; F379-V482 WeakPolarHBondContact O-CA 3.41Å; F379-V483 PolarHBondContact O-N 3.3Å; F379-Y528 WeakPolarHBondContact CE2-OH 3.34Å
380M92.1Very high75.7Confident0 Ų054.8 Ų54.80%028%0.275CS..EExtended strand (participates in β ladder)trans-108.1103.2178.6-78.4-71-36.200109.8L395 V458 V459 G461 V483 L485M380-L395 HydrophobicContact SD-CD1 4.16Å; M380-V458 HydrophobicContact CG-CG2 3.57Å; M380-V459 PolarHBondContact N-O 2.83Å; M380-G461 PolarHBondContact O-N 3.25Å; M380-V483 HydrophobicContact CE-CB 4.35Å; M380-V483 HydrophobicContact CE-CG1 3.99Å; M380-V483 HydrophobicContact SD-CB 3.59Å; M380-V483 VanDerWaalsContact SD-CB 3.59Å; M380-V483 HydrophobicContact SD-CG1 3.73Å; M380-V483 HydrophobicContact SD-CG2 4.27Å; M380-L485 HydrophobicContact CE-CD1 3.61Å; M380-L485 HydrophobicContact CE-CD2 4.1Å; M380-L485 HydrophobicContact CE-CG 3.63Å
381I91.7Very high78.7Confident5 Ų549.4 Ų49.43%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-102.8144.4-178.4-54-179.4000109.6V482 V483 L484 L485 F517 V524I381-V482 HydrophobicContact CD1-CG1 3.39Å; I381-V482 HydrophobicContact CG1-CG1 3.94Å; I381-V483 PolarHBondContact N-O 2.93Å; I381-L484 HydrophobicContact CB-CD1 4.1Å; I381-L484 HydrophobicContact CG2-CD1 3.76Å; I381-L484 WeakPolarHBondContact O-CA 3.21Å; I381-L485 PolarHBondContact O-N 2.93Å; I381-F517 HydrophobicContact CG2-CE2 4.09Å; I381-F517 HydrophobicContact CG2-CZ 3.92Å; I381-V524 HydrophobicContact CD1-CG1 3.67Å
382G87.9Confident81.2Confident1 Ų141.2 Ų41.21%0.0120%0.203CC..EExtended strand (participates in β ladder)trans166.1161.5-179.500000111.4K388 F517G382-K388 WeakPolarHBondContact O-CD 3.5Å; G382-K388 WeakPolarHBondContact O-CE 3.08Å; G382-K388 PolarHBondContact O-NZ 2.74Å; G382-F517 VanDerWaalsContact C-CE1 3.46Å; G382-F517 WeakPolarHBondContact O-CE2 3.24Å; G382-F517 WeakPolarHBondContact O-CZ 3.26Å
383G84.3Confident83.4Confident0 Ų036.1 Ų36.10%018%0.182CC..  trans-80.9176.1-179.900000113.4G385 S386 K388 M492G383-G385 PolarHBondContact O-N 2.77Å; G383-S386 WeakPolarHBondContact O-CB 3.27Å; G383-S386 PolarHBondContact O-N 3.23Å; G383-S386 PolarHBondContact O-OG 2.84Å; G383-K388 VanDerWaalsContact O-CE 3.23Å; G383-K388 WeakPolarHBondContact O-CE 3.1Å; G383-M492 VanDerWaalsContact CA-SD 3.56Å
384P81Confident85Confident25 Ų2530 Ų3016%0.16215%0.154CC..THydrogen-bonded Turntrans-59.8133.8172.626.9-33.5000110.2S386 M492 V496P384-S386 VanDerWaalsContact C-N 3.31Å; P384-S386 PolarHBondContact O-N 2.98Å; P384-M492 VanDerWaalsContact O-CB 3.26Å; P384-M492 WeakPolarHBondContact O-CB 3.49Å; P384-M492 WeakPolarHBondContact O-CG 3.37Å; P384-V496 HydrophobicContact CB-CG2 4.27Å
385G79.9Confident86.2Confident12 Ų1222.2 Ų22.212%0.12412%0.12CC..THydrogen-bonded Turntrans79.7-1.3-179.500000116.5G383 G387 R495G383-G385 PolarHBondContact O-N 2.77Å; G385-G387 PolarHBondContact O-N 2.93Å; G385-R495 VanDerWaalsContact O-CD 3.24Å; G385-R495 WeakPolarHBondContact O-CD 3.36Å
386S86.8Confident87.2Confident3 Ų323.2 Ų23.22%0.02112%0.121CC..SBendtrans-69.5-15.9176.968.10000113.9G383 P384G383-S386 WeakPolarHBondContact O-CB 3.27Å; G383-S386 PolarHBondContact O-N 3.23Å; G383-S386 PolarHBondContact O-OG 2.84Å; P384-S386 VanDerWaalsContact C-N 3.31Å; P384-S386 PolarHBondContact O-N 2.98Å
387G84.3Confident87.2Confident12 Ų1227 Ų2712%0.12414%0.14CC..SBendtrans98.911.1178.200000115.3G385 A389 L390 Q391G385-G387 PolarHBondContact O-N 2.93Å; G387-A389 PolarHBondContact O-N 3.02Å; G387-L390 PolarHBondContact O-N 2.78Å; G387-Q391 WeakPolarHBondContact O-CG 3.24Å; G387-Q391 PolarHBondContact O-N 3.14Å; G387-Q391 VanDerWaalsContact O-N 3.13Å
388K88.5Confident86.9Confident34 Ų3435 Ų3515%0.14817%0.17CC..Hα-helixtrans-43.4-54.1177.8-71.1173.7-75.8176.40114.1G382 G383 L390 Q391 C392 L485G382-K388 WeakPolarHBondContact O-CD 3.5Å; G382-K388 WeakPolarHBondContact O-CE 3.08Å; G382-K388 PolarHBondContact O-NZ 2.74Å; G383-K388 VanDerWaalsContact O-CE 3.23Å; G383-K388 WeakPolarHBondContact O-CE 3.1Å; K388-L390 PolarHBondContact O-N 3.08Å; K388-Q391 PolarHBondContact O-N 3.35Å; K388-Q391 VanDerWaalsContact O-N 3.16Å; K388-C392 PolarHBondContact O-N 3.24Å; K388-C392 PolarHBondContact O-SG 3.15Å; K388-L485 HydrophobicContact CB-CD1 4.32Å; K388-L485 HydrophobicContact CG-CD1 3.83Å
389A84.5Confident86.5Confident36 Ų3637.5 Ų37.530%0.29818%0.181SC..Hα-helixtrans-56.9-49.8-176.900000112.3E332 G387 Q391 C392 E393E332-A389 WeakPolarHBondContact OE2-CB 3.38Å; G387-A389 PolarHBondContact O-N 3.02Å; A389-Q391 VanDerWaalsContact C-N 3.29Å; A389-Q391 PolarHBondContact O-N 2.56Å; A389-C392 PolarHBondContact O-N 3.49Å; A389-E393 PolarHBondContact O-N 3.29Å
390L87.2Confident85.9Confident57 Ų5740.1 Ų40.130%0.29821%0.208SC..Hα-helixtrans-60-39.6178.2178.265.6000112G387 K388 R394 P543G387-L390 PolarHBondContact O-N 2.78Å; K388-L390 PolarHBondContact O-N 3.08Å; L390-R394 WeakPolarHBondContact O-CG 3.46Å; L390-R394 PolarHBondContact O-N 2.9Å; L390-P543 HydrophobicContact CD2-CB 3.9Å; L390-P543 HydrophobicContact CD2-CG 4.36Å
391Q90.1Very high85.6Confident5 Ų540.4 Ų40.42%0.02321%0.209CC..Hα-helixtrans-75.2-34.4179.7-59.4-59-11.200112.1G387 K388 A389 E393 R394 L395 L485 P543 V546 F547 I550G387-Q391 WeakPolarHBondContact O-CG 3.24Å; G387-Q391 PolarHBondContact O-N 3.14Å; G387-Q391 VanDerWaalsContact O-N 3.13Å; K388-Q391 PolarHBondContact O-N 3.35Å; K388-Q391 VanDerWaalsContact O-N 3.16Å; A389-Q391 VanDerWaalsContact C-N 3.29Å; A389-Q391 PolarHBondContact O-N 2.56Å; Q391-E393 VanDerWaalsContact C-N 3.35Å; Q391-R394 PolarHBondContact O-N 3.41Å; Q391-L395 WeakPolarHBondContact O-CG 3.31Å; Q391-L395 PolarHBondContact O-N 3.12Å; Q391-L485 HydrophobicContact CG-CD1 4.3Å; Q391-P543 PolarHBondContact NE2-O 3.08Å; Q391-P543 VanDerWaalsContact NE2-O 3.1Å; Q391-V546 HydrophobicContact CG-CG1 4.24Å; Q391-F547 VanDerWaalsContact OE1-CB 3.28Å; Q391-F547 VanDerWaalsContact OE1-CD2 3.32Å; Q391-I550 HydrophobicContact CB-CD1 3.56Å; Q391-I550 HydrophobicContact CG-CD1 3.58Å
392C87.7Confident85.4Confident0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-62.9-41.6172.7-64.30000111.5K388 A389 L395 E396 R403 V458K388-C392 PolarHBondContact O-N 3.24Å; K388-C392 PolarHBondContact O-SG 3.15Å; A389-C392 PolarHBondContact O-N 3.49Å; C392-L395 PolarHBondContact O-N 3.07Å; C392-E396 PolarHBondContact O-N 3.42Å; C392-R403 VanDerWaalsContact CB-CD 3.44Å; C392-R403 HydrophobicContact CB-CG 3.91Å; C392-V458 HydrophobicContact CB-CG1 4.36Å
393E86.1Confident85.3Confident95 Ų9545.9 Ų45.944%0.44423%0.23SC..Hα-helixtrans-58.3-46.4174.7-178.4-178-171.900111.3A389 Q391 L395 E396 E397A389-E393 PolarHBondContact O-N 3.29Å; Q391-E393 VanDerWaalsContact C-N 3.35Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 3.07Å; E393-E396 WeakPolarHBondContact O-CB 3.14Å; E393-E396 PolarHBondContact O-N 3.31Å; E393-E397 PolarHBondContact O-N 2.64Å; E393-E397 VanDerWaalsContact O-N 3.09Å
394R87.6Confident85.5Confident64 Ų6446 Ų4624%0.24223%0.23CC..Hα-helixtrans-67.2-31.2177-67.8179.4175.5-171.2-2.3113.5L390 Q391 R398 P543 F547L390-R394 WeakPolarHBondContact O-CG 3.46Å; L390-R394 PolarHBondContact O-N 2.9Å; Q391-R394 PolarHBondContact O-N 3.41Å; R394-R398 VanDerWaalsContact O-CB 3.25Å; R394-R398 WeakPolarHBondContact O-CB 3.47Å; R394-R398 PolarHBondContact O-N 2.97Å; R394-P543 VanDerWaalsContact NH1-C 3.26Å; R394-P543 PolarHBondContact NH1-O 3Å; R394-F547 HydrophobicContact CB-CD1 4.42Å; R394-F547 HydrophobicContact CB-CD2 3.52Å; R394-F547 HydrophobicContact CB-CE1 4.17Å; R394-F547 HydrophobicContact CB-CE2 3.23Å; R394-F547 HydrophobicContact CB-CG 4.12Å; R394-F547 HydrophobicContact CB-CZ 3.58Å; R394-F547 HydrophobicContact CG-CD2 4.39Å; R394-F547 HydrophobicContact CG-CE2 4.45Å; R394-F547 WeakPolarHBondContact O-CZ 3.44Å
395L86.9Confident85.7Confident0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-69.1-37.3174-75.5176.3000112.2M380 Q391 C392 E393 F399 V458 F547 I550 I554M380-L395 HydrophobicContact SD-CD1 4.16Å; Q391-L395 WeakPolarHBondContact O-CG 3.31Å; Q391-L395 PolarHBondContact O-N 3.12Å; C392-L395 PolarHBondContact O-N 3.07Å; E393-L395 VanDerWaalsContact C-N 3.32Å; E393-L395 PolarHBondContact O-N 3.07Å; L395-F399 HydrophobicContact CD2-CD2 3.59Å; L395-F399 HydrophobicContact CD2-CE2 3.7Å; L395-F399 PolarHBondContact O-N 2.97Å; L395-V458 HydrophobicContact CD1-CG2 4.09Å; L395-F547 HydrophobicContact CD2-CE2 3.97Å; L395-F547 HydrophobicContact CG-CE2 4.15Å; L395-I550 HydrophobicContact CD1-CG2 4.01Å; L395-I550 HydrophobicContact CD2-CG2 3.89Å; L395-I550 HydrophobicContact CG-CG2 4.25Å; L395-I554 HydrophobicContact CD1-CD1 3.92Å; L395-I554 HydrophobicContact CD2-CD1 3.39Å; L395-I554 HydrophobicContact CG-CD1 4.32Å
396E85.4Confident85.7Confident64 Ų6446.3 Ų46.330%0.29923%0.228SC..Hα-helixtrans-60.1-47.9172.3170.6164.3-149.500110.9C392 E393 G400 L401 R403C392-E396 PolarHBondContact O-N 3.42Å; E393-E396 WeakPolarHBondContact O-CB 3.14Å; E393-E396 PolarHBondContact O-N 3.31Å; E396-G400 VanDerWaalsContact O-CA 3.23Å; E396-G400 WeakPolarHBondContact O-CA 3.23Å; E396-G400 PolarHBondContact O-N 3.03Å; E396-L401 VanDerWaalsContact CA-O 3.28Å; E396-L401 WeakPolarHBondContact CA-O 3.37Å; E396-L401 VanDerWaalsContact CB-O 3.27Å; E396-L401 WeakPolarHBondContact CB-O 3.42Å; E396-L401 VanDerWaalsContact CG-O 3.26Å; E396-L401 WeakPolarHBondContact CG-O 3.25Å; E396-R403 WeakPolarHBondContact OE2-CB 3.36Å; E396-R403 IonicContact OE2-NE 2.7Å
397E84.8Confident85.2Confident151 Ų15147.7 Ų47.771%0.70624%0.243SC*.Hα-helixtrans-64.6-42.1177.3-68.2-179.1163.900113.5E393E393-E397 PolarHBondContact O-N 2.64Å; E393-E397 VanDerWaalsContact O-N 3.09Å
398R83.7Confident84.8Confident170 Ų17048.9 Ų48.964%0.64225%0.246SC*.Hα-helixtrans-81.4-42.3-172-177.865177.5-168.72.4113.7R394 F547R394-R398 VanDerWaalsContact O-CB 3.25Å; R394-R398 WeakPolarHBondContact O-CB 3.47Å; R394-R398 PolarHBondContact O-N 2.97Å; R398-F547 HydrophobicContact CB-CE1 4.38Å; R398-F547 HydrophobicContact CB-CZ 3.77Å; R398-F547 HydrophobicContact CG-CE1 4.47Å; R398-F547 HydrophobicContact CG-CZ 4.14Å
399F82.5Confident84.6Confident54 Ų5447.8 Ų47.824%0.23724%0.242CC..Hα-helixtrans-110.6-0-172.7-66.3-78.4000113.1L395 L401 C551 E555 F560L395-F399 HydrophobicContact CD2-CD2 3.59Å; L395-F399 HydrophobicContact CD2-CE2 3.7Å; L395-F399 PolarHBondContact O-N 2.97Å; F399-L401 HydrophobicContact CB-CD1 4.03Å; F399-L401 HydrophobicContact CB-CD2 4.45Å; F399-L401 HydrophobicContact CB-CG 3.79Å; F399-L401 PolarHBondContact O-N 3.04Å; F399-C551 HydrophobicContact CE2-CB 4.44Å; F399-C551 HydrophobicContact CZ-CB 4.31Å; F399-E555 HydrophobicContact CE1-CG 4.25Å; F399-E555 HydrophobicContact CZ-CG 4.17Å; F399-F560 HydrophobicContact CB-CE1 4.25Å; F399-F560 HydrophobicContact CD1-CD1 4.14Å; F399-F560 HydrophobicContact CD1-CE1 4.04Å; F399-F560 HydrophobicContact CE1-CD1 4.49Å; F399-F560 HydrophobicContact CG-CE1 4.29Å
400G81.8Confident84.4Confident55 Ų5547.2 Ų47.257%0.56723%0.234SC*.  trans65.625.8-179.400000113.3E396E396-G400 VanDerWaalsContact O-CA 3.23Å; E396-G400 WeakPolarHBondContact O-CA 3.23Å; E396-G400 PolarHBondContact O-N 3.03Å
401L84.9Confident83.9Confident5 Ų546.3 Ų46.33%0.02623%0.232CC..PPolyproline II helixtrans-79.9142.8179-55.8175.6000110I378 E396 F399 R403 V458 F560I378-L401 HydrophobicContact CD1-CD1 3.79Å; E396-L401 VanDerWaalsContact CA-O 3.28Å; E396-L401 WeakPolarHBondContact CA-O 3.37Å; E396-L401 VanDerWaalsContact CB-O 3.27Å; E396-L401 WeakPolarHBondContact CB-O 3.42Å; E396-L401 VanDerWaalsContact CG-O 3.26Å; E396-L401 WeakPolarHBondContact CG-O 3.25Å; F399-L401 HydrophobicContact CB-CD1 4.03Å; F399-L401 HydrophobicContact CB-CD2 4.45Å; F399-L401 HydrophobicContact CB-CG 3.79Å; F399-L401 PolarHBondContact O-N 3.04Å; L401-R403 PolarHBondContact O-N 2.96Å; L401-V458 HydrophobicContact CB-CG1 4.39Å; L401-F560 HydrophobicContact CD1-CE1 4.45Å; L401-F560 HydrophobicContact CD1-CZ 3.89Å; L401-F560 HydrophobicContact CD2-CE1 4.17Å; L401-F560 HydrophobicContact CD2-CZ 3.68Å; L401-F560 HydrophobicContact CG-CZ 4.34Å
402R86.9Confident83.3Confident99 Ų9949 Ų4937%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-77.6120170.8-175.7-173.5-177-139.30.2108.5V404 G456 L457 V458R402-V404 HydrophobicContact CG-CG2 4.05Å; R402-G456 PolarHBondContact N-O 3.13Å; R402-L457 HydrophobicContact CB-CD1 3.97Å; R402-L457 HydrophobicContact CG-CD1 4.23Å; R402-L457 WeakPolarHBondContact O-CA 3.21Å; R402-L457 WeakPolarHBondContact O-CD1 3.28Å; R402-V458 PolarHBondContact O-N 3.28Å
403R87.3Confident83.1Confident23 Ų2350.9 Ų50.99%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-73.8131.9168.9-178.8174.163.391.2-5.8110.1P330 E332 C392 E396 L401 V458P330-R403 VanDerWaalsContact CG-NH2 3.25Å; E332-R403 VanDerWaalsContact CG-NH1 3.3Å; E332-R403 IonicContact OE1-CZ 3.63Å; E332-R403 IonicContact OE1-NH1 2.8Å; E332-R403 PolarHBondContact OE1-NH1 3.19Å; E332-R403 IonicContact OE2-NH1 2.79Å; C392-R403 VanDerWaalsContact CB-CD 3.44Å; C392-R403 HydrophobicContact CB-CG 3.91Å; E396-R403 WeakPolarHBondContact OE2-CB 3.36Å; E396-R403 IonicContact OE2-NE 2.7Å; L401-R403 PolarHBondContact O-N 2.96Å; R403-V458 HydrophobicContact CB-CG1 4Å; R403-V458 HydrophobicContact CG-CG1 4.34Å
404V87.1Confident82.8Confident1 Ų148.6 Ų48.61%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-138.6134.9176.4169.60000110.2R402 L409 L457 V458 V459 S460R402-V404 HydrophobicContact CG-CG2 4.05Å; V404-L409 HydrophobicContact CG1-CD1 3.61Å; V404-L409 HydrophobicContact CG1-CD2 3.47Å; V404-L409 VanDerWaalsContact CG1-CD2 3.47Å; V404-L409 HydrophobicContact CG1-CG 3.41Å; V404-L409 VanDerWaalsContact CG1-CG 3.41Å; V404-L409 HydrophobicContact CG2-CD2 4.49Å; V404-L457 HydrophobicContact CB-CD1 3.99Å; V404-L457 HydrophobicContact CB-CD2 4.4Å; V404-L457 HydrophobicContact CB-CG 4.26Å; V404-L457 HydrophobicContact CG2-CD1 3.42Å; V404-L457 VanDerWaalsContact CG2-CD1 3.42Å; V404-L457 HydrophobicContact CG2-CG 4.23Å; V404-V458 PolarHBondContact N-O 2.99Å; V404-V459 VanDerWaalsContact O-CA 3.3Å; V404-V459 WeakPolarHBondContact O-CA 3.41Å; V404-S460 PolarHBondContact O-N 3.24Å; V404-S460 VanDerWaalsContact O-N 3.08Å
405T85.6Confident82.3Confident17 Ų1751.5 Ų51.510%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-112.6155.7163.669.20000110E332 G407 D408 L409E332-T405 HydrophobicContact CG-CG2 3.82Å; E332-T405 WeakPolarHBondContact OE1-CG2 3.42Å; T405-G407 PolarHBondContact O-N 3.37Å; T405-D408 WeakPolarHBondContact CB-OD2 3.4Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.44Å; T405-D408 PolarHBondContact N-OD2 2.84Å; T405-D408 WeakPolarHBondContact O-CB 3.41Å; T405-D408 PolarHBondContact O-N 3.21Å; T405-D408 PolarHBondContact OG1-N 3.31Å; T405-D408 PolarHBondContact OG1-OD1 3.02Å; T405-D408 PolarHBondContact OG1-OD2 3.48Å; T405-L409 WeakPolarHBondContact O-CG 3.33Å; T405-L409 PolarHBondContact O-N 2.84Å; T405-L409 VanDerWaalsContact O-N 3.12Å
406L81.1Confident81.7Confident28 Ų2854.6 Ų54.615%0.14729%0.288CS..Hα-helixtrans-56.5-33.7172.8-70.2178.3000111.7L409 L410 L443 F462L406-L409 PolarHBondContact O-N 2.95Å; L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 2.85Å; L406-L443 HydrophobicContact CD2-CB 3.91Å; L406-L443 HydrophobicContact CD2-CD2 4.2Å; L406-L443 HydrophobicContact CD2-CG 4.45Å; L406-F462 HydrophobicContact CD1-CD2 3.93Å; L406-F462 HydrophobicContact CG-CD2 4.49Å
407G75.2Confident81.1Confident32 Ų3258.9 Ų58.933%0.3331%0.307SS..Hα-helixtrans-63.3-44173.700000112.8T405 L409 L410 C411T405-G407 PolarHBondContact O-N 3.37Å; G407-L409 VanDerWaalsContact C-N 3.29Å; G407-L409 PolarHBondContact O-N 2.78Å; G407-L410 PolarHBondContact O-N 2.88Å; G407-C411 PolarHBondContact O-N 2.87Å; G407-C411 PolarHBondContact O-SG 3Å
408D76.8Confident81.1Confident36 Ų3653.1 Ų53.119%0.19328%0.284CS..Hα-helixtrans-62.1-38.6177-60.3-41.7000111.6T405 C411 S412T405-D408 WeakPolarHBondContact CB-OD2 3.4Å; T405-D408 WeakPolarHBondContact CG2-OD2 3.44Å; T405-D408 PolarHBondContact N-OD2 2.84Å; T405-D408 WeakPolarHBondContact O-CB 3.41Å; T405-D408 PolarHBondContact O-N 3.21Å; T405-D408 PolarHBondContact OG1-N 3.31Å; T405-D408 PolarHBondContact OG1-OD1 3.02Å; T405-D408 PolarHBondContact OG1-OD2 3.48Å; D408-C411 PolarHBondContact O-N 3.44Å; D408-S412 WeakPolarHBondContact O-CB 3.41Å; D408-S412 PolarHBondContact O-N 3.38Å
409L83.6Confident81.1Confident12 Ų1252.6 Ų52.66%0.06329%0.289CS..Hα-helixtrans-67.6-43.2177.9-61.8-177.7000112.2V404 T405 L406 G407 C411 S412 E413 L442 L443 A446V404-L409 HydrophobicContact CG1-CD1 3.61Å; V404-L409 HydrophobicContact CG1-CD2 3.47Å; V404-L409 VanDerWaalsContact CG1-CD2 3.47Å; V404-L409 HydrophobicContact CG1-CG 3.41Å; V404-L409 VanDerWaalsContact CG1-CG 3.41Å; V404-L409 HydrophobicContact CG2-CD2 4.49Å; T405-L409 WeakPolarHBondContact O-CG 3.33Å; T405-L409 PolarHBondContact O-N 2.84Å; T405-L409 VanDerWaalsContact O-N 3.12Å; L406-L409 PolarHBondContact O-N 2.95Å; G407-L409 VanDerWaalsContact C-N 3.29Å; G407-L409 PolarHBondContact O-N 2.78Å; L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.91Å; L409-S412 PolarHBondContact O-N 3.02Å; L409-E413 WeakPolarHBondContact O-CB 3.43Å; L409-E413 PolarHBondContact O-N 2.91Å; L409-L442 HydrophobicContact CB-CB 4.18Å; L409-L443 VanDerWaalsContact CD1-CA 3.46Å; L409-L443 HydrophobicContact CD1-CB 4.06Å; L409-L443 HydrophobicContact CD1-CD1 3.86Å; L409-A446 HydrophobicContact CD1-CB 3.71Å; L409-A446 HydrophobicContact CD2-CB 3.37Å; L409-A446 HydrophobicContact CG-CB 4.18Å
410L80.9Confident81.2Confident24 Ų2452.5 Ų52.513%0.12629%0.287CS..Hα-helixtrans-59.1-46.4174.4-172.174.9000110.9L406 G407 S412 E413 M414 L424 L434 L439 L442L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 2.85Å; G407-L410 PolarHBondContact O-N 2.88Å; L410-S412 PolarHBondContact O-N 2.67Å; L410-E413 PolarHBondContact O-N 3.38Å; L410-M414 HydrophobicContact CG-SD 4.13Å; L410-M414 VanDerWaalsContact O-CG 3.29Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.4Å; L410-L424 HydrophobicContact CD1-CB 4.47Å; L410-L424 HydrophobicContact CD1-CD1 3.91Å; L410-L424 HydrophobicContact CD1-CD2 4.11Å; L410-L424 HydrophobicContact CD1-CG 4.38Å; L410-L434 HydrophobicContact CD1-CD1 4Å; L410-L434 HydrophobicContact CD2-CD1 3.58Å; L410-L434 HydrophobicContact CG-CD1 4.47Å; L410-L439 HydrophobicContact CD1-CD2 4.22Å; L410-L442 HydrophobicContact CD1-CD1 4.1Å
411C76.8Confident81.3Confident38 Ų3849.9 Ų49.926%0.25726%0.26SS..Hα-helixtrans-60.9-45.3177.4-65.50000111.6M314 G407 D408 L409 E413 M414 Q415M314-C411 WeakPolarHBondContact CE-SG 3.44Å; G407-C411 PolarHBondContact O-N 2.87Å; G407-C411 PolarHBondContact O-SG 3Å; D408-C411 PolarHBondContact O-N 3.44Å; L409-C411 VanDerWaalsContact C-N 3.32Å; L409-C411 PolarHBondContact O-N 2.91Å; C411-E413 VanDerWaalsContact C-N 3.3Å; C411-E413 PolarHBondContact O-N 3.05Å; C411-M414 PolarHBondContact O-N 3.03Å; C411-Q415 WeakPolarHBondContact O-CB 3.33Å; C411-Q415 VanDerWaalsContact O-CG 3.24Å; C411-Q415 WeakPolarHBondContact O-CG 3.34Å; C411-Q415 PolarHBondContact O-N 3.19Å
412S77.2Confident81.2Confident61 Ų6156.2 Ų56.243%0.42728%0.283SS..Hα-helixtrans-61.8-37.8178.1-172.20000112.1D408 L409 L410 S416D408-S412 WeakPolarHBondContact O-CB 3.41Å; D408-S412 PolarHBondContact O-N 3.38Å; L409-S412 PolarHBondContact O-N 3.02Å; L410-S412 PolarHBondContact O-N 2.67Å; S412-S416 PolarHBondContact O-N 2.85Å
413E83.9Confident81.1Confident40 Ų4056.7 Ų56.719%0.18729%0.29CS..Hα-helixtrans-72.4-39.9178.5-169.264.9-159.800112.1L409 L410 C411 Q415 S416 S418 R420 G421 L424 L442L409-E413 WeakPolarHBondContact O-CB 3.43Å; L409-E413 PolarHBondContact O-N 2.91Å; L410-E413 PolarHBondContact O-N 3.38Å; C411-E413 VanDerWaalsContact C-N 3.3Å; C411-E413 PolarHBondContact O-N 3.05Å; E413-Q415 PolarHBondContact O-N 3Å; E413-S416 PolarHBondContact O-N 3.39Å; E413-S416 VanDerWaalsContact O-N 3.16Å; E413-S416 PolarHBondContact O-OG 3.48Å; E413-S418 WeakPolarHBondContact OE1-CB 3.38Å; E413-S418 PolarHBondContact OE1-OG 2.76Å; E413-R420 HydrophobicContact CG-CG 4.37Å; E413-G421 WeakPolarHBondContact O-CA 3.19Å; E413-L424 HydrophobicContact CG-CD1 4.09Å; E413-L442 HydrophobicContact CB-CD1 4.43Å; E413-L442 HydrophobicContact CB-CD2 3.72Å; E413-L442 HydrophobicContact CG-CD2 3.63Å
414M78.5Confident80.9Confident46 Ų4655.7 Ų55.723%0.22729%0.286CS..Hα-helixtrans-64.3-32.9175.7-69.1175.864.600111.8L410 C411 L424 Q425 L428L410-M414 HydrophobicContact CG-SD 4.13Å; L410-M414 VanDerWaalsContact O-CG 3.29Å; L410-M414 WeakPolarHBondContact O-CG 3.4Å; L410-M414 PolarHBondContact O-N 3.4Å; C411-M414 PolarHBondContact O-N 3.03Å; M414-L424 HydrophobicContact CG-CB 4.34Å; M414-Q425 HydrophobicContact CE-CB 3.95Å; M414-Q425 HydrophobicContact CE-CG 4.07Å; M414-L428 HydrophobicContact CE-CD2 4.24Å
415Q76.6Confident80.5Confident125 Ų12559.5 Ų59.558%0.58430%0.304SS*.Hα-helixtrans-75.7-21.5175.6-71.3172.86.500113.6C411 E413 H417C411-Q415 WeakPolarHBondContact O-CB 3.33Å; C411-Q415 VanDerWaalsContact O-CG 3.24Å; C411-Q415 WeakPolarHBondContact O-CG 3.34Å; C411-Q415 PolarHBondContact O-N 3.19Å; E413-Q415 PolarHBondContact O-N 3Å; Q415-H417 PolarHBondContact O-N 2.91Å
416S75.2Confident80.3Confident65 Ų6562.1 Ų62.146%0.45532%0.317SS..THydrogen-bonded Turntrans-75-4.5-175.677.60000113.9S412 E413 S418S412-S416 PolarHBondContact O-N 2.85Å; E413-S416 PolarHBondContact O-N 3.39Å; E413-S416 VanDerWaalsContact O-N 3.16Å; E413-S416 PolarHBondContact O-OG 3.48Å; S416-S418 PolarHBondContact O-N 3.08Å; S416-S418 WeakPolarHBondContact OG-CB 3.23Å; S416-S418 PolarHBondContact OG-N 2.68Å; S416-S418 PolarHBondContact OG-OG 2.94Å
417H73.3Confident80.3Confident154 Ų15461.3 Ų61.371%0.71331%0.313SS*.THydrogen-bonded Turntrans54.119.2-174.4-61-35.8000114.3Q415Q415-H417 PolarHBondContact O-N 2.91Å
418S83.9Confident80.2Confident31 Ų3164 Ų6422%0.21732%0.319CS..  trans-63.5160.8175730000111.1E413 S416 R420 G421 R422E413-S418 WeakPolarHBondContact OE1-CB 3.38Å; E413-S418 PolarHBondContact OE1-OG 2.76Å; S416-S418 PolarHBondContact O-N 3.08Å; S416-S418 WeakPolarHBondContact OG-CB 3.23Å; S416-S418 PolarHBondContact OG-N 2.68Å; S416-S418 PolarHBondContact OG-OG 2.94Å; S418-R420 PolarHBondContact O-N 2.97Å; S418-G421 PolarHBondContact O-N 2.77Å; S418-G421 PolarHBondContact OG-N 3.26Å; S418-R422 PolarHBondContact O-N 3.42Å
419E84.3Confident80.2Confident158 Ų15868.9 Ų68.974%0.73834%0.341SS*.Hα-helixtrans-58.8-37.2172.3-70.2-172.7164.500111.2R422 H423E419-R422 PolarHBondContact O-N 2.93Å; E419-H423 WeakPolarHBondContact O-CB 3.36Å; E419-H423 PolarHBondContact O-N 3.15Å
420R84.2Confident79.7Confident52 Ų5274.5 Ų74.520%0.19636%0.361CS..Hα-helixtrans-62.8-47174.4-170.5-177.7-169.7-176.85.1112E413 S418 R422 H423 L424 T438 E441 L442 D445E413-R420 HydrophobicContact CG-CG 4.37Å; S418-R420 PolarHBondContact O-N 2.97Å; R420-R422 PolarHBondContact O-N 3.33Å; R420-H423 PolarHBondContact O-N 2.77Å; R420-L424 HydrophobicContact CG-CD1 4.09Å; R420-L424 VanDerWaalsContact O-CG 3.24Å; R420-L424 WeakPolarHBondContact O-CG 3.05Å; R420-L424 PolarHBondContact O-N 3.45Å; R420-T438 VanDerWaalsContact NH2-CG2 3.25Å; R420-T438 PolarHBondContact NH2-O 3.16Å; R420-E441 IonicContact CZ-OE2 3.71Å; R420-E441 IonicContact NH2-OE2 2.7Å; R420-E441 PolarHBondContact NH2-OE2 2.93Å; R420-L442 VanDerWaalsContact NH1-CD2 3.34Å; R420-D445 IonicContact NH1-OD2 3.55Å; R420-D445 PolarHBondContact NH1-OD2 2.63Å
421G83.8Confident79Confident0 Ų076.6 Ų76.60%039%0.388CS..Hα-helixtrans-61.9-40.9177.900000112.9E413 S418 L424 Q425E413-G421 WeakPolarHBondContact O-CA 3.19Å; S418-G421 PolarHBondContact O-N 2.77Å; S418-G421 PolarHBondContact OG-N 3.26Å; G421-L424 PolarHBondContact O-N 2.69Å; G421-Q425 WeakPolarHBondContact O-CB 3.44Å; G421-Q425 PolarHBondContact O-N 3.19Å
422R83.3Confident78.9Confident138 Ų13879.6 Ų79.652%0.52140%0.398SS..Hα-helixtrans-63.5-44.1173.4-76.4-176-83.8155.9-3.4112.1S418 E419 R420 L424 Q425 D426S418-R422 PolarHBondContact O-N 3.42Å; E419-R422 PolarHBondContact O-N 2.93Å; R420-R422 PolarHBondContact O-N 3.33Å; R422-L424 VanDerWaalsContact C-N 3.32Å; R422-L424 PolarHBondContact O-N 3.22Å; R422-Q425 PolarHBondContact O-N 2.8Å; R422-D426 PolarHBondContact O-N 3.19Å
423H84.1Confident78.4Confident109 Ų10982.5 Ų82.551%0.50540%0.403SS..Hα-helixtrans-62.6-40.1176.5-171.560.7000112.3E419 R420 D426 I427E419-H423 WeakPolarHBondContact O-CB 3.36Å; E419-H423 PolarHBondContact O-N 3.15Å; R420-H423 PolarHBondContact O-N 2.77Å; H423-D426 WeakPolarHBondContact O-CB 3.2Å; H423-D426 PolarHBondContact O-N 3.32Å; H423-I427 WeakPolarHBondContact O-CG1 3.43Å; H423-I427 PolarHBondContact O-N 3.1Å
424L82.8Confident78Confident2 Ų282.2 Ų82.21%0.0140%0.403CS..Hα-helixtrans-65.2-40.4176.2-70.8166000112.2L410 E413 M414 R420 G421 R422 I427 L428 L434 T438 L442L410-L424 HydrophobicContact CD1-CB 4.47Å; L410-L424 HydrophobicContact CD1-CD1 3.91Å; L410-L424 HydrophobicContact CD1-CD2 4.11Å; L410-L424 HydrophobicContact CD1-CG 4.38Å; E413-L424 HydrophobicContact CG-CD1 4.09Å; M414-L424 HydrophobicContact CG-CB 4.34Å; R420-L424 HydrophobicContact CG-CD1 4.09Å; R420-L424 VanDerWaalsContact O-CG 3.24Å; R420-L424 WeakPolarHBondContact O-CG 3.05Å; R420-L424 PolarHBondContact O-N 3.45Å; G421-L424 PolarHBondContact O-N 2.69Å; R422-L424 VanDerWaalsContact C-N 3.32Å; R422-L424 PolarHBondContact O-N 3.22Å; L424-I427 PolarHBondContact O-N 3.01Å; L424-L428 WeakPolarHBondContact O-CB 3.42Å; L424-L428 PolarHBondContact O-N 2.93Å; L424-L434 HydrophobicContact CD2-CD2 3.5Å; L424-L434 VanDerWaalsContact CD2-CD2 3.5Å; L424-T438 HydrophobicContact CD1-CG2 4.33Å; L424-T438 HydrophobicContact CD2-CG2 3.82Å; L424-T438 HydrophobicContact CG-CG2 4.47Å; L424-L442 HydrophobicContact CD1-CD1 4.29Å
425Q80Confident78Confident81 Ų8182.7 Ų82.738%0.37941%0.409SS..Hα-helixtrans-61.3-46.1174.5-173.1174.4-5.500111.3M414 G421 R422 I427 L428 E429M414-Q425 HydrophobicContact CE-CB 3.95Å; M414-Q425 HydrophobicContact CE-CG 4.07Å; G421-Q425 WeakPolarHBondContact O-CB 3.44Å; G421-Q425 PolarHBondContact O-N 3.19Å; R422-Q425 PolarHBondContact O-N 2.8Å; Q425-I427 PolarHBondContact O-N 2.89Å; Q425-L428 PolarHBondContact O-N 3.27Å; Q425-E429 HydrophobicContact CG-CG 4.39Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.42Å; Q425-E429 PolarHBondContact NE2-OE1 3.27Å; Q425-E429 WeakPolarHBondContact O-CB 3.44Å; Q425-E429 WeakPolarHBondContact O-CG 3.39Å; Q425-E429 PolarHBondContact O-N 2.99Å
426D81.8Confident78.1Confident72 Ų7282.2 Ų82.239%0.38541%0.407SS..Hα-helixtrans-60.2-43.1177.8-80.80.6000112.8R422 H423 L428 E429 R430R422-D426 PolarHBondContact O-N 3.19Å; H423-D426 WeakPolarHBondContact O-CB 3.2Å; H423-D426 PolarHBondContact O-N 3.32Å; D426-L428 VanDerWaalsContact C-N 3.34Å; D426-E429 PolarHBondContact O-N 2.9Å; D426-R430 WeakPolarHBondContact O-CG 3.25Å; D426-R430 PolarHBondContact O-N 3.4Å; D426-R430 VanDerWaalsContact O-N 3.08Å
427I79.3Confident78.4Confident11 Ų1185 Ų856%0.05641%0.413CS..Hα-helixtrans-62-44.3176.4-69.2169.2000110.1H423 L424 Q425 R430 G431 E432 L434H423-I427 WeakPolarHBondContact O-CG1 3.43Å; H423-I427 PolarHBondContact O-N 3.1Å; L424-I427 PolarHBondContact O-N 3.01Å; Q425-I427 PolarHBondContact O-N 2.89Å; I427-R430 PolarHBondContact O-N 3.25Å; I427-G431 PolarHBondContact O-N 3.44Å; I427-E432 HydrophobicContact CG2-CB 3.71Å; I427-E432 PolarHBondContact O-N 2.87Å; I427-L434 HydrophobicContact CB-CD2 4.5Å; I427-L434 HydrophobicContact CG2-CD2 4.05Å
428L74.3Confident78.9Confident88 Ų8879 Ų7946%0.46139%0.387SS..Hα-helixtrans-69.1-38.6-178.7-16766.7000112M414 L424 Q425 D426 R430 G431M414-L428 HydrophobicContact CE-CD2 4.24Å; L424-L428 WeakPolarHBondContact O-CB 3.42Å; L424-L428 PolarHBondContact O-N 2.93Å; Q425-L428 PolarHBondContact O-N 3.27Å; D426-L428 VanDerWaalsContact C-N 3.34Å; L428-R430 VanDerWaalsContact C-N 3.27Å; L428-R430 PolarHBondContact O-N 3.34Å; L428-G431 PolarHBondContact O-N 3.38Å
429E75.8Confident78.9Confident140 Ų14079.4 Ų79.465%0.65439%0.387SS*.Hα-helixtrans-64.1-32.4174.3-76.1-179-170.900112.2Q425 D426 G431Q425-E429 HydrophobicContact CG-CG 4.39Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.42Å; Q425-E429 PolarHBondContact NE2-OE1 3.27Å; Q425-E429 WeakPolarHBondContact O-CB 3.44Å; Q425-E429 WeakPolarHBondContact O-CG 3.39Å; Q425-E429 PolarHBondContact O-N 2.99Å; D426-E429 PolarHBondContact O-N 2.9Å; E429-G431 VanDerWaalsContact C-N 3.26Å; E429-G431 PolarHBondContact O-N 3.16Å
430R74.8Confident79.1Confident130 Ų13072 Ų7249%0.49135%0.353SS..THydrogen-bonded Turntrans-75.9-10.3171.6-72.2-172.4-71.9-91.3-0.3113.8D426 I427 L428 E432D426-R430 WeakPolarHBondContact O-CG 3.25Å; D426-R430 PolarHBondContact O-N 3.4Å; D426-R430 VanDerWaalsContact O-N 3.08Å; I427-R430 PolarHBondContact O-N 3.25Å; L428-R430 VanDerWaalsContact C-N 3.27Å; L428-R430 PolarHBondContact O-N 3.34Å; R430-E432 VanDerWaalsContact C-N 3.27Å; R430-E432 HydrophobicContact CB-CG 3.99Å; R430-E432 IonicContact NE-OE1 3.44Å; R430-E432 IonicContact NE-OE2 3.97Å; R430-E432 PolarHBondContact NE-OE2 3.11Å
431G65.9Low79.3Confident67 Ų6773.6 Ų73.669%0.69136%0.362SS*.THydrogen-bonded Turntrans70.323.2-17600000113.4I427 L428 E429I427-G431 PolarHBondContact O-N 3.44Å; L428-G431 PolarHBondContact O-N 3.38Å; E429-G431 VanDerWaalsContact C-N 3.26Å; E429-G431 PolarHBondContact O-N 3.16Å
432E73.6Confident79.6Confident101 Ų10174 Ų7447%0.47236%0.364SS..PPolyproline II helixtrans-83156.7179.5-73.2168-179.100111.2I427 R430I427-E432 HydrophobicContact CG2-CB 3.71Å; I427-E432 PolarHBondContact O-N 2.87Å; R430-E432 VanDerWaalsContact C-N 3.27Å; R430-E432 HydrophobicContact CB-CG 3.99Å; R430-E432 IonicContact NE-OE1 3.44Å; R430-E432 IonicContact NE-OE2 3.97Å; R430-E432 PolarHBondContact NE-OE2 3.11Å
433K66.4Low79.9Confident122 Ų12267.4 Ų67.453%0.5334%0.339SS..PPolyproline II helixtrans-73.4133.5177.1-54.6-168.8172.1-172.50109.6L338L338-K433 HydrophobicContact CD1-CB 4.19Å; L338-K433 HydrophobicContact CD1-CD 4.4Å; L338-K433 HydrophobicContact CD1-CG 4.3Å; L338-K433 HydrophobicContact CD2-CB 4.24Å; L338-K433 HydrophobicContact CD2-CD 3.55Å; L338-K433 VanDerWaalsContact CD2-CE 3.46Å; L338-K433 HydrophobicContact CD2-CG 3.49Å; L338-K433 VanDerWaalsContact CD2-CG 3.49Å; L338-K433 HydrophobicContact CG-CD 4.46Å
434L75.6Confident80.1Confident34 Ų3462.9 Ų62.918%0.17832%0.32CS..PPolyproline II helixtrans-68.1134.6174.4-71.4169.7000110.6L410 L424 I427 E436 L439L410-L434 HydrophobicContact CD1-CD1 4Å; L410-L434 HydrophobicContact CD2-CD1 3.58Å; L410-L434 HydrophobicContact CG-CD1 4.47Å; L424-L434 HydrophobicContact CD2-CD2 3.5Å; L424-L434 VanDerWaalsContact CD2-CD2 3.5Å; I427-L434 HydrophobicContact CB-CD2 4.5Å; I427-L434 HydrophobicContact CG2-CD2 4.05Å; L434-E436 PolarHBondContact O-N 3.02Å; L434-L439 HydrophobicContact CD1-CD2 4.48Å
435P80.3Confident80.5Confident56 Ų5667.1 Ų67.136%0.36434%0.342SS..PPolyproline II helixtrans-62.1131.9172.6-19.631.3000111.1E437 T438 L439P435-E437 VanDerWaalsContact C-N 3.28Å; P435-E437 PolarHBondContact O-N 3.42Å; P435-T438 PolarHBondContact O-N 3.45Å; P435-L439 PolarHBondContact O-N 3.49Å
436E76.7Confident80.8Confident116 Ų11663.6 Ų63.654%0.54233%0.327SS..Hα-helixtrans-63.1-35.8-178.2-66.7178.7179.600112.2L434 T438 L439 L440L434-E436 PolarHBondContact O-N 3.02Å; E436-T438 VanDerWaalsContact C-N 3.27Å; E436-T438 PolarHBondContact O-N 3.09Å; E436-L439 PolarHBondContact O-N 3.1Å; E436-L439 VanDerWaalsContact O-N 3.16Å; E436-L440 PolarHBondContact O-N 2.95Å
437E82.2Confident81.1Confident124 Ų12460.2 Ų60.258%0.57931%0.309SS*.Hα-helixtrans-57.5-40.2176.3-65.9169.9-173.400111.6P435 L440 E441P435-E437 VanDerWaalsContact C-N 3.28Å; P435-E437 PolarHBondContact O-N 3.42Å; E437-L440 PolarHBondContact O-N 2.76Å; E437-E441 WeakPolarHBondContact O-CB 3.41Å; E437-E441 WeakPolarHBondContact O-CG 3.07Å; E437-E441 PolarHBondContact O-N 3.24Å
438T84.8Confident81.5Confident27 Ų2761.5 Ų61.517%0.16632%0.322CS..Hα-helixtrans-66.6-41.4178.8-47.70000111.3R420 L424 P435 E436 L440 E441 L442R420-T438 VanDerWaalsContact NH2-CG2 3.25Å; R420-T438 PolarHBondContact NH2-O 3.16Å; L424-T438 HydrophobicContact CD1-CG2 4.33Å; L424-T438 HydrophobicContact CD2-CG2 3.82Å; L424-T438 HydrophobicContact CG-CG2 4.47Å; P435-T438 PolarHBondContact O-N 3.45Å; E436-T438 VanDerWaalsContact C-N 3.27Å; E436-T438 PolarHBondContact O-N 3.09Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 3.14Å; T438-E441 PolarHBondContact O-N 3.25Å; T438-L442 WeakPolarHBondContact O-CG 3.42Å; T438-L442 PolarHBondContact O-N 3.37Å
439L84.2Confident82Confident39 Ų3958.8 Ų58.820%0.20431%0.31CS..Hα-helixtrans-64-40.2176.8-67.1174.9000111.8L410 L434 P435 E436 L442 L443L410-L439 HydrophobicContact CD1-CD2 4.22Å; L434-L439 HydrophobicContact CD1-CD2 4.48Å; P435-L439 PolarHBondContact O-N 3.49Å; E436-L439 PolarHBondContact O-N 3.1Å; E436-L439 VanDerWaalsContact O-N 3.16Å; L439-L442 PolarHBondContact O-N 3.06Å; L439-L443 PolarHBondContact O-N 3.47Å; L439-L443 VanDerWaalsContact O-N 3.13Å
440L88Confident82.4Confident4 Ų452.4 Ų52.42%0.02128%0.281CS..Hα-helixtrans-66.2-44.8177.2-179.863.7000111.9E436 E437 T438 L442 L443 C444 F462 E471 Y472 K475E436-L440 PolarHBondContact O-N 2.95Å; E437-L440 PolarHBondContact O-N 2.76Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-L440 PolarHBondContact O-N 3.14Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 3.3Å; L440-L443 CarbonylContact O-C 3.51Å; L440-L443 WeakPolarHBondContact O-CA 3.43Å; L440-L443 WeakPolarHBondContact O-CB 3.23Å; L440-L443 PolarHBondContact O-N 2.91Å; L440-L443 VanDerWaalsContact O-N 3.08Å; L440-C444 PolarHBondContact O-N 3.34Å; L440-C444 PolarHBondContact O-SG 3.25Å; L440-F462 HydrophobicContact CD1-CE2 4.35Å; L440-F462 HydrophobicContact CD1-CZ 3.86Å; L440-E471 HydrophobicContact CD2-CB 3.57Å; L440-E471 HydrophobicContact CD2-CG 3.37Å; L440-E471 WeakPolarHBondContact CD2-OE1 3.45Å; L440-Y472 HydrophobicContact CD1-CD2 4.14Å; L440-K475 HydrophobicContact CD2-CD 4.21Å
441E88.6Confident82.6Confident85 Ų8549 Ų4940%0.39727%0.274SS..Hα-helixtrans-58.6-41.5175.5-81.1173.5179.700112R420 E437 T438 L443 C444 D445R420-E441 IonicContact CZ-OE2 3.71Å; R420-E441 IonicContact NH2-OE2 2.7Å; R420-E441 PolarHBondContact NH2-OE2 2.93Å; E437-E441 WeakPolarHBondContact O-CB 3.41Å; E437-E441 WeakPolarHBondContact O-CG 3.07Å; E437-E441 PolarHBondContact O-N 3.24Å; T438-E441 PolarHBondContact O-N 3.25Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 3.35Å; E441-C444 WeakPolarHBondContact O-CB 3.45Å; E441-C444 PolarHBondContact O-N 2.98Å; E441-D445 VanDerWaalsContact O-CG 3.29Å; E441-D445 PolarHBondContact O-N 3.45Å
442L88.8Confident83.4Confident8 Ų855.6 Ų55.64%0.04228%0.278CS..Hα-helixtrans-60.5-40174.5-70.7174.2000111.6L409 L410 E413 R420 L424 T438 L439 L440 D445 A446L409-L442 HydrophobicContact CB-CB 4.18Å; L410-L442 HydrophobicContact CD1-CD1 4.1Å; E413-L442 HydrophobicContact CB-CD1 4.43Å; E413-L442 HydrophobicContact CB-CD2 3.72Å; E413-L442 HydrophobicContact CG-CD2 3.63Å; R420-L442 VanDerWaalsContact NH1-CD2 3.34Å; L424-L442 HydrophobicContact CD1-CD1 4.29Å; T438-L442 WeakPolarHBondContact O-CG 3.42Å; T438-L442 PolarHBondContact O-N 3.37Å; L439-L442 PolarHBondContact O-N 3.06Å; L440-L442 VanDerWaalsContact C-N 3.3Å; L440-L442 PolarHBondContact O-N 3.3Å; L442-D445 PolarHBondContact O-N 3.06Å; L442-A446 WeakPolarHBondContact O-CB 3.29Å; L442-A446 PolarHBondContact O-N 2.71Å
443L90.1Very high83.6Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-64.5-43.8174.6-177.361.6000112L406 L409 L439 L440 E441 D445 A446 V447 L457 V459 F462 Y472L406-L443 HydrophobicContact CD2-CB 3.91Å; L406-L443 HydrophobicContact CD2-CD2 4.2Å; L406-L443 HydrophobicContact CD2-CG 4.45Å; L409-L443 VanDerWaalsContact CD1-CA 3.46Å; L409-L443 HydrophobicContact CD1-CB 4.06Å; L409-L443 HydrophobicContact CD1-CD1 3.86Å; L439-L443 PolarHBondContact O-N 3.47Å; L439-L443 VanDerWaalsContact O-N 3.13Å; L440-L443 CarbonylContact O-C 3.51Å; L440-L443 WeakPolarHBondContact O-CA 3.43Å; L440-L443 WeakPolarHBondContact O-CB 3.23Å; L440-L443 PolarHBondContact O-N 2.91Å; L440-L443 VanDerWaalsContact O-N 3.08Å; E441-L443 VanDerWaalsContact C-N 3.27Å; E441-L443 PolarHBondContact O-N 3.35Å; L443-D445 PolarHBondContact O-N 3.28Å; L443-A446 PolarHBondContact O-N 3.44Å; L443-V447 HydrophobicContact CD1-CG2 4.31Å; L443-V447 HydrophobicContact CG-CG2 4.49Å; L443-V447 WeakPolarHBondContact O-CG2 3.24Å; L443-V447 PolarHBondContact O-N 3.07Å; L443-L457 HydrophobicContact CD1-CD2 4.46Å; L443-V459 HydrophobicContact CD1-CG1 3.86Å; L443-V459 HydrophobicContact CD1-CG2 3.93Å; L443-V459 HydrophobicContact CD2-CG1 4.33Å; L443-F462 HydrophobicContact CD2-CD1 3.6Å; L443-F462 HydrophobicContact CD2-CD2 4.08Å; L443-F462 HydrophobicContact CD2-CE1 3.56Å; L443-F462 HydrophobicContact CD2-CE2 4.02Å; L443-F462 HydrophobicContact CD2-CG 3.88Å; L443-F462 HydrophobicContact CD2-CZ 3.77Å; L443-Y472 HydrophobicContact CD2-CD2 4.1Å; L443-Y472 HydrophobicContact CD2-CE2 4.3Å; L443-Y472 HydrophobicContact CG-CE2 4.42Å
444C89.4Confident84.1Confident14 Ų1453.9 Ų53.910%0.09529%0.292CS..Hα-helixtrans-58.7-45.8175.1-68.30000111.4L440 E441 A446 V447 A448 M476L440-C444 PolarHBondContact O-N 3.34Å; L440-C444 PolarHBondContact O-SG 3.25Å; E441-C444 WeakPolarHBondContact O-CB 3.45Å; E441-C444 PolarHBondContact O-N 2.98Å; C444-A446 VanDerWaalsContact C-N 3.33Å; C444-A446 PolarHBondContact O-N 3.31Å; C444-V447 PolarHBondContact O-N 3.45Å; C444-A448 VanDerWaalsContact O-CB 3.27Å; C444-A448 WeakPolarHBondContact O-CB 3.3Å; C444-A448 PolarHBondContact O-N 2.93Å; C444-M476 HydrophobicContact CB-CG 4.22Å; C444-M476 HydrophobicContact CB-SD 3.88Å
445D89.3Confident84.2Confident90 Ų9057.7 Ų57.748%0.48131%0.307SS..Hα-helixtrans-61.3-42.2177.3-69-29.5000111.7R420 E441 L442 L443 A448 S449R420-D445 IonicContact NH1-OD2 3.55Å; R420-D445 PolarHBondContact NH1-OD2 2.63Å; E441-D445 VanDerWaalsContact O-CG 3.29Å; E441-D445 PolarHBondContact O-N 3.45Å; L442-D445 PolarHBondContact O-N 3.06Å; L443-D445 PolarHBondContact O-N 3.28Å; D445-A448 PolarHBondContact O-N 3.18Å; D445-S449 WeakPolarHBondContact O-CB 3.48Å; D445-S449 PolarHBondContact O-N 3.42Å
446A87.7Confident84.4Confident8 Ų855.5 Ų55.57%0.06629%0.294CS..Hα-helixtrans-66.3-43.217800000112.7L409 L442 L443 C444 S449 A450L409-A446 HydrophobicContact CD1-CB 3.71Å; L409-A446 HydrophobicContact CD2-CB 3.37Å; L409-A446 HydrophobicContact CG-CB 4.18Å; L442-A446 WeakPolarHBondContact O-CB 3.29Å; L442-A446 PolarHBondContact O-N 2.71Å; L443-A446 PolarHBondContact O-N 3.44Å; C444-A446 VanDerWaalsContact C-N 3.33Å; C444-A446 PolarHBondContact O-N 3.31Å; A446-S449 PolarHBondContact O-N 3.5Å; A446-A450 WeakPolarHBondContact O-CB 3.49Å; A446-A450 PolarHBondContact O-N 2.94Å
447V87.6Confident85.1Confident1 Ų150 Ų501%0.00627%0.269CS..Hα-helixtrans-63.4-50.2174.5171.30000109.4V377 L443 C444 S449 A450 V451 L457 Y472 M476V377-V447 HydrophobicContact CG2-CG1 3.8Å; V377-V447 HydrophobicContact CG2-CG2 4.34Å; L443-V447 HydrophobicContact CD1-CG2 4.31Å; L443-V447 HydrophobicContact CG-CG2 4.49Å; L443-V447 WeakPolarHBondContact O-CG2 3.24Å; L443-V447 PolarHBondContact O-N 3.07Å; C444-V447 PolarHBondContact O-N 3.45Å; V447-S449 VanDerWaalsContact C-N 3.29Å; V447-S449 PolarHBondContact O-N 3Å; V447-A450 WeakPolarHBondContact O-CA 3.28Å; V447-A450 WeakPolarHBondContact O-CB 3.39Å; V447-A450 PolarHBondContact O-N 2.71Å; V447-V451 HydrophobicContact CG1-CG2 4.13Å; V447-V451 WeakPolarHBondContact O-CG2 3.45Å; V447-V451 PolarHBondContact O-N 3.42Å; V447-L457 HydrophobicContact CB-CD2 4.44Å; V447-L457 HydrophobicContact CG2-CD2 3.44Å; V447-L457 VanDerWaalsContact CG2-CD2 3.44Å; V447-Y472 HydrophobicContact CG2-CE2 4.23Å; V447-M476 HydrophobicContact CB-CE 3.72Å; V447-M476 HydrophobicContact CG1-CE 3.4Å; V447-M476 VanDerWaalsContact CG1-CE 3.4Å
448A87.2Confident85.5Confident38 Ų3844.1 Ų44.131%0.31424%0.241SC..Hα-helixtrans-56.7-41.2177.900000112.3C444 D445 V451 R452 M476C444-A448 VanDerWaalsContact O-CB 3.27Å; C444-A448 WeakPolarHBondContact O-CB 3.3Å; C444-A448 PolarHBondContact O-N 2.93Å; D445-A448 PolarHBondContact O-N 3.18Å; A448-V451 PolarHBondContact O-N 3.21Å; A448-R452 WeakPolarHBondContact O-CG 3.31Å; A448-R452 PolarHBondContact O-N 2.92Å; A448-R452 VanDerWaalsContact O-N 3.11Å; A448-M476 HydrophobicContact CB-CE 4.22Å
449S86.1Confident85.8Confident31 Ų3142.8 Ų42.822%0.21723%0.233CC..Hα-helixtrans-64.2-42.6173-173.50000112.4D445 A446 V447 R452 Q453D445-S449 WeakPolarHBondContact O-CB 3.48Å; D445-S449 PolarHBondContact O-N 3.42Å; A446-S449 PolarHBondContact O-N 3.5Å; V447-S449 VanDerWaalsContact C-N 3.29Å; V447-S449 PolarHBondContact O-N 3Å; S449-R452 PolarHBondContact O-N 3.42Å; S449-Q453 WeakPolarHBondContact O-CG 3.38Å; S449-Q453 PolarHBondContact O-N 3.43Å; S449-Q453 VanDerWaalsContact O-N 3.15Å; S449-Q453 PolarHBondContact OG-NE2 2.84Å
450A83.4Confident86Confident5 Ų541.7 Ų41.74%0.04123%0.229CC..Hα-helixtrans-64.8-40.4177.600000111.8A446 V447 R452 Q453 G454 K455 L457A446-A450 WeakPolarHBondContact O-CB 3.49Å; A446-A450 PolarHBondContact O-N 2.94Å; V447-A450 WeakPolarHBondContact O-CA 3.28Å; V447-A450 WeakPolarHBondContact O-CB 3.39Å; V447-A450 PolarHBondContact O-N 2.71Å; A450-R452 PolarHBondContact O-N 3.18Å; A450-Q453 CarbonylContact O-C 3.55Å; A450-Q453 PolarHBondContact O-N 3.34Å; A450-Q453 VanDerWaalsContact O-N 3.16Å; A450-G454 PolarHBondContact O-N 2.92Å; A450-G454 VanDerWaalsContact O-N 3.12Å; A450-K455 CarbonylContact C-O 3.56Å; A450-K455 PolarHBondContact O-N 3.2Å; A450-L457 HydrophobicContact CB-CD1 4.21Å
451V79.9Confident85.8Confident59 Ų5942.5 Ų42.536%0.35824%0.238SC..Hα-helixtrans-57.9-48.9174.4-170.10000110.6P375 V447 A448 Q453 G454P375-V451 HydrophobicContact CB-CB 4.18Å; P375-V451 HydrophobicContact CB-CG1 4.13Å; P375-V451 HydrophobicContact CB-CG2 3.29Å; P375-V451 HydrophobicContact CG-CG2 3.73Å; V447-V451 HydrophobicContact CG1-CG2 4.13Å; V447-V451 WeakPolarHBondContact O-CG2 3.45Å; V447-V451 PolarHBondContact O-N 3.42Å; A448-V451 PolarHBondContact O-N 3.21Å; V451-Q453 PolarHBondContact O-N 3.24Å; V451-G454 PolarHBondContact O-N 2.7Å
452R81.3Confident85.8Confident205 Ų20538.6 Ų38.677%0.77422%0.219SC*.Hα-helixtrans-60-33.2178.7-75.4-173.8-68.1155-3.8112.7A448 S449 A450 G454A448-R452 WeakPolarHBondContact O-CG 3.31Å; A448-R452 PolarHBondContact O-N 2.92Å; A448-R452 VanDerWaalsContact O-N 3.11Å; S449-R452 PolarHBondContact O-N 3.42Å; A450-R452 PolarHBondContact O-N 3.18Å; R452-G454 VanDerWaalsContact C-N 3.3Å
453Q79Confident85.8Confident116 Ų11638.4 Ų38.454%0.54222%0.219SC..THydrogen-bonded Turntrans-85-1.5178.3-66.1176.41600113.3S449 A450 V451 K455S449-Q453 WeakPolarHBondContact O-CG 3.38Å; S449-Q453 PolarHBondContact O-N 3.43Å; S449-Q453 VanDerWaalsContact O-N 3.15Å; S449-Q453 PolarHBondContact OG-NE2 2.84Å; A450-Q453 CarbonylContact O-C 3.55Å; A450-Q453 PolarHBondContact O-N 3.34Å; A450-Q453 VanDerWaalsContact O-N 3.16Å; V451-Q453 PolarHBondContact O-N 3.24Å; Q453-K455 HydrophobicContact CB-CG 4.34Å; Q453-K455 PolarHBondContact O-N 3.12Å
454G75.4Confident85.5Confident72 Ų7243.2 Ų43.274%0.74224%0.24SC*.THydrogen-bonded Turntrans66.419.1-176.400000114.1A450 V451 R452A450-G454 PolarHBondContact O-N 2.92Å; A450-G454 VanDerWaalsContact O-N 3.12Å; V451-G454 PolarHBondContact O-N 2.7Å; R452-G454 VanDerWaalsContact C-N 3.3Å
455K78.1Confident85.3Confident114 Ų11444.6 Ų44.650%0.49625%0.246SC..  trans-100.9141.6-179.6-67.4-176.3179179.70110.4A450 Q453A450-K455 CarbonylContact C-O 3.56Å; A450-K455 PolarHBondContact O-N 3.2Å; Q453-K455 HydrophobicContact CB-CG 4.34Å; Q453-K455 PolarHBondContact O-N 3.12Å
456G85Confident85.3Confident9 Ų942.7 Ų42.79%0.09324%0.236CC..  trans-79.4160.7169.200000111.9K376 R402K376-G456 CarbonylContact O-C 3.18Å; K376-G456 WeakPolarHBondContact O-CA 3.4Å; R402-G456 PolarHBondContact N-O 3.13Å
457L90.6Very high85.3Confident1 Ų150.9 Ų50.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-123.5137.9-177.8-157.374.9000109.8K376 V377 I378 R402 V404 L443 V447 A450 V459K376-L457 PolarHBondContact O-N 3.09Å; V377-L457 WeakPolarHBondContact CA-O 3.35Å; V377-L457 HydrophobicContact CG2-CB 4.44Å; I378-L457 PolarHBondContact N-O 2.84Å; R402-L457 HydrophobicContact CB-CD1 3.97Å; R402-L457 HydrophobicContact CG-CD1 4.23Å; R402-L457 WeakPolarHBondContact O-CA 3.21Å; R402-L457 WeakPolarHBondContact O-CD1 3.28Å; V404-L457 HydrophobicContact CB-CD1 3.99Å; V404-L457 HydrophobicContact CB-CD2 4.4Å; V404-L457 HydrophobicContact CB-CG 4.26Å; V404-L457 HydrophobicContact CG2-CD1 3.42Å; V404-L457 VanDerWaalsContact CG2-CD1 3.42Å; V404-L457 HydrophobicContact CG2-CG 4.23Å; L443-L457 HydrophobicContact CD1-CD2 4.46Å; V447-L457 HydrophobicContact CB-CD2 4.44Å; V447-L457 HydrophobicContact CG2-CD2 3.44Å; V447-L457 VanDerWaalsContact CG2-CD2 3.44Å; A450-L457 HydrophobicContact CB-CD1 4.21Å; L457-V459 HydrophobicContact CD2-CG2 3.64Å; L457-V459 HydrophobicContact CG-CG2 4.12Å
458V91.6Very high85.3Confident0 Ų052 Ų520%027%0.27CS..EExtended strand (participates in β ladder)trans-114.9119.116461.60000108.8I378 M380 C392 L395 L401 R402 R403 V404I378-V458 HydrophobicContact CB-CG2 4.39Å; I378-V458 CarbonylContact O-C 3.5Å; I378-V458 WeakPolarHBondContact O-CA 3.21Å; M380-V458 HydrophobicContact CG-CG2 3.57Å; C392-V458 HydrophobicContact CB-CG1 4.36Å; L395-V458 HydrophobicContact CD1-CG2 4.09Å; L401-V458 HydrophobicContact CB-CG1 4.39Å; R402-V458 PolarHBondContact O-N 3.28Å; R403-V458 HydrophobicContact CB-CG1 4Å; R403-V458 HydrophobicContact CG-CG1 4.34Å; V404-V458 PolarHBondContact N-O 2.99Å
459V91.1Very high85.4Confident0 Ų050.2 Ų50.20%026%0.255CS..EExtended strand (participates in β ladder)trans-102.1115.3-177.2-166.40000109.2V377 I378 F379 M380 V404 L443 L457 F462V377-V459 HydrophobicContact CG1-CG2 4.16Å; I378-V459 PolarHBondContact O-N 3.25Å; F379-V459 HydrophobicContact CD1-CB 3.84Å; F379-V459 HydrophobicContact CD1-CG2 3.98Å; F379-V459 HydrophobicContact CE1-CB 4.12Å; F379-V459 HydrophobicContact CE1-CG2 3.88Å; M380-V459 PolarHBondContact N-O 2.83Å; V404-V459 VanDerWaalsContact O-CA 3.3Å; V404-V459 WeakPolarHBondContact O-CA 3.41Å; L443-V459 HydrophobicContact CD1-CG1 3.86Å; L443-V459 HydrophobicContact CD1-CG2 3.93Å; L443-V459 HydrophobicContact CD2-CG1 4.33Å; L457-V459 HydrophobicContact CD2-CG2 3.64Å; L457-V459 HydrophobicContact CG-CG2 4.12Å; V459-F462 HydrophobicContact CG1-CB 3.7Å; V459-F462 HydrophobicContact CG1-CG 4.35Å
460S88.6Confident85.7Confident16 Ų1653.4 Ų53.411%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-88.3131.3-179.7-173.10000111.3V404 F462V404-S460 PolarHBondContact O-N 3.24Å; V404-S460 VanDerWaalsContact O-N 3.08Å; S460-F462 VanDerWaalsContact C-N 3.33Å; S460-F462 PolarHBondContact O-N 3.26Å
461G82.8Confident86Confident21 Ų2156.1 Ų56.122%0.21628%0.279CS..THydrogen-bonded Turntrans73.520.8171.300000115.1M380 K464M380-G461 PolarHBondContact O-N 3.25Å; G461-K464 WeakPolarHBondContact O-CG 3.34Å
462F88.5Confident86.5Confident2 Ų253.5 Ų53.51%0.00926%0.262CS..  trans-129.4148.5174.1-179.1-91.3000109.5F379 L406 L440 L443 V459 S460 Q468 Y472F379-F462 HydrophobicContact CD1-CD1 4.32Å; F379-F462 HydrophobicContact CD2-CD1 4.47Å; F379-F462 AromaticContact CE1-CD1 3.9Å; F379-F462 HydrophobicContact CE1-CD1 3.9Å; F379-F462 HydrophobicContact CE1-CE1 4.26Å; F379-F462 HydrophobicContact CE2-CD1 4.08Å; F379-F462 AromaticContact CE2-CE1 3.98Å; F379-F462 HydrophobicContact CE2-CE1 3.98Å; F379-F462 AromaticContact CZ-CD1 3.74Å; F379-F462 HydrophobicContact CZ-CD1 3.74Å; F379-F462 AromaticContact CZ-CE1 3.67Å; F379-F462 HydrophobicContact CZ-CE1 3.67Å; L406-F462 HydrophobicContact CD1-CD2 3.93Å; L406-F462 HydrophobicContact CG-CD2 4.49Å; L440-F462 HydrophobicContact CD1-CE2 4.35Å; L440-F462 HydrophobicContact CD1-CZ 3.86Å; L443-F462 HydrophobicContact CD2-CD1 3.6Å; L443-F462 HydrophobicContact CD2-CD2 4.08Å; L443-F462 HydrophobicContact CD2-CE1 3.56Å; L443-F462 HydrophobicContact CD2-CE2 4.02Å; L443-F462 HydrophobicContact CD2-CG 3.88Å; L443-F462 HydrophobicContact CD2-CZ 3.77Å; V459-F462 HydrophobicContact CG1-CB 3.7Å; V459-F462 HydrophobicContact CG1-CG 4.35Å; S460-F462 VanDerWaalsContact C-N 3.33Å; S460-F462 PolarHBondContact O-N 3.26Å; F462-Q468 HydrophobicContact CE2-CB 3.8Å; F462-Q468 HydrophobicContact CE2-CG 4.26Å; F462-Q468 HydrophobicContact CZ-CB 4.03Å; F462-Y472 HydrophobicContact CE1-CD2 4.12Å; F462-Y472 HydrophobicContact CE1-CG 4.05Å; F462-Y472 HydrophobicContact CZ-CD2 4.48Å; F462-Y472 HydrophobicContact CZ-CG 4.43Å
463P89.9Confident87Confident5 Ų544.9 Ų44.93%0.03223%0.231CC..  cis-75.6153-12.527.4-30.6000112.4F379 Q468 A469 V524 Y528F379-P463 HydrophobicContact CD2-CG 4.48Å; P463-Q468 HydrophobicContact CB-CB 3.9Å; P463-A469 HydrophobicContact CB-CB 4.07Å; P463-A469 HydrophobicContact CG-CB 3.73Å; P463-V524 HydrophobicContact CG-CG1 3.82Å; P463-Y528 HydrophobicContact CG-CE2 3.74Å
464K82.9Confident87.5Confident100 Ų10043.5 Ų43.544%0.43524%0.24SC..  trans-91.1-27.1177.9-66.5-170.2178.6-172.90112.7N336 G461N336-K464 PolarHBondContact OD1-NZ 3.01Å; G461-K464 WeakPolarHBondContact O-CG 3.34Å
465D85.1Confident88.1Confident43 Ų4344.8 Ų44.823%0.2323%0.225CC..SBendtrans-138.6171.2179.16463.8000111.3R467 Q468 A469 V524D465-R467 WeakPolarHBondContact OD1-CA 3.39Å; D465-R467 WeakPolarHBondContact OD1-CB 3.25Å; D465-R467 PolarHBondContact OD1-N 3.29Å; D465-Q468 WeakPolarHBondContact OD1-CG 3.43Å; D465-Q468 PolarHBondContact OD1-N 3.24Å; D465-Q468 VanDerWaalsContact OD2-CD 3.24Å; D465-Q468 WeakPolarHBondContact OD2-CG 3.43Å; D465-Q468 PolarHBondContact OD2-NE2 3.17Å; D465-A469 PolarHBondContact O-N 3.42Å; D465-V524 WeakPolarHBondContact O-CG2 3.44Å
466L88.6Confident88.5Confident51 Ų5142 Ų4227%0.26721%0.214SC..Hα-helixtrans-67.3-35-177.8-177.860.9000112.7Q468 A469 E470 A523 H527L466-Q468 PolarHBondContact O-N 3.22Å; L466-A469 WeakPolarHBondContact O-CB 3.21Å; L466-A469 PolarHBondContact O-N 2.97Å; L466-E470 HydrophobicContact CD1-CG 4.27Å; L466-E470 HydrophobicContact CG-CG 4.36Å; L466-E470 WeakPolarHBondContact O-CG 3.29Å; L466-E470 PolarHBondContact O-N 3.31Å; L466-A523 HydrophobicContact CB-CB 4.23Å; L466-H527 HydrophobicContact CD1-CB 3.57Å
467R87.9Confident88.5Confident180 Ų18043.1 Ų43.168%0.67923%0.226SC*.Hα-helixtrans-65.4-43.4-177.9-67.5-178.459.5159.8-2.4110.7D465 A469 E470 E471D465-R467 WeakPolarHBondContact OD1-CA 3.39Å; D465-R467 WeakPolarHBondContact OD1-CB 3.25Å; D465-R467 PolarHBondContact OD1-N 3.29Å; R467-A469 VanDerWaalsContact C-N 3.28Å; R467-A469 PolarHBondContact O-N 2.97Å; R467-E470 PolarHBondContact O-N 2.95Å; R467-E471 VanDerWaalsContact O-CB 3.28Å; R467-E471 WeakPolarHBondContact O-CB 3.18Å; R467-E471 PolarHBondContact O-N 2.75Å
468Q88.5Confident88.5Confident25 Ų2548.2 Ų48.212%0.11725%0.249CC..Hα-helixtrans-59.8-39.8174.7-73.2177.5-0.300112.1F462 P463 D465 L466 Y472F462-Q468 HydrophobicContact CE2-CB 3.8Å; F462-Q468 HydrophobicContact CE2-CG 4.26Å; F462-Q468 HydrophobicContact CZ-CB 4.03Å; P463-Q468 HydrophobicContact CB-CB 3.9Å; D465-Q468 WeakPolarHBondContact OD1-CG 3.43Å; D465-Q468 PolarHBondContact OD1-N 3.24Å; D465-Q468 VanDerWaalsContact OD2-CD 3.24Å; D465-Q468 WeakPolarHBondContact OD2-CG 3.43Å; D465-Q468 PolarHBondContact OD2-NE2 3.17Å; L466-Q468 PolarHBondContact O-N 3.22Å; Q468-Y472 WeakPolarHBondContact O-CB 3.27Å; Q468-Y472 PolarHBondContact O-N 3.45Å
469A89.8Confident88.4Confident0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-63.8-51.6176.200000111.1P463 D465 L466 R467 E471 Y472 E473 Y528P463-A469 HydrophobicContact CB-CB 4.07Å; P463-A469 HydrophobicContact CG-CB 3.73Å; D465-A469 PolarHBondContact O-N 3.42Å; L466-A469 WeakPolarHBondContact O-CB 3.21Å; L466-A469 PolarHBondContact O-N 2.97Å; R467-A469 VanDerWaalsContact C-N 3.28Å; R467-A469 PolarHBondContact O-N 2.97Å; A469-E471 PolarHBondContact O-N 3.27Å; A469-Y472 PolarHBondContact O-N 2.89Å; A469-E473 WeakPolarHBondContact O-CB 3.36Å; A469-E473 VanDerWaalsContact O-CG 3.22Å; A469-E473 WeakPolarHBondContact O-CG 3.42Å; A469-E473 PolarHBondContact O-N 2.67Å; A469-Y528 HydrophobicContact CB-CE2 4.01Å
470E90.7Very high88.3Confident98 Ų9848.8 Ų48.846%0.45825%0.253SS..Hα-helixtrans-63.4-42.1-179.3-70.1176.5165.500112.3L466 R467 E473 A474L466-E470 HydrophobicContact CD1-CG 4.27Å; L466-E470 HydrophobicContact CG-CG 4.36Å; L466-E470 WeakPolarHBondContact O-CG 3.29Å; L466-E470 PolarHBondContact O-N 3.31Å; R467-E470 PolarHBondContact O-N 2.95Å; E470-E473 PolarHBondContact O-N 2.68Å; E470-A474 WeakPolarHBondContact O-CB 3.4Å; E470-A474 PolarHBondContact O-N 3.04Å
471E90.2Very high88.4Confident62 Ų6248 Ų4829%0.2925%0.248SC..Hα-helixtrans-71.1-37.3-179.1-160.9-173.4157.200112L440 R467 A469 A474 K475L440-E471 HydrophobicContact CD2-CB 3.57Å; L440-E471 HydrophobicContact CD2-CG 3.37Å; L440-E471 WeakPolarHBondContact CD2-OE1 3.45Å; R467-E471 VanDerWaalsContact O-CB 3.28Å; R467-E471 WeakPolarHBondContact O-CB 3.18Å; R467-E471 PolarHBondContact O-N 2.75Å; A469-E471 PolarHBondContact O-N 3.27Å; E471-A474 PolarHBondContact O-N 3.05Å; E471-K475 PolarHBondContact O-N 3.15Å; E471-K475 IonicContact OE1-NZ 3.06Å; E471-K475 PolarHBondContact OE1-NZ 3.31Å
472Y91.1Very high88.8Confident3 Ų347 Ų471%0.01224%0.237CC..Hα-helixtrans-60.9-48.3170.1175.6-89.3000111.2F379 L440 L443 V447 F462 Q468 A469 A474 K475 M476 G477F379-Y472 HydrophobicContact CE1-CE1 4.31Å; F379-Y472 HydrophobicContact CE1-CE2 4.43Å; F379-Y472 AromaticContact CE2-CD1 3.87Å; F379-Y472 HydrophobicContact CE2-CD1 3.87Å; F379-Y472 AromaticContact CE2-CE1 3.97Å; F379-Y472 HydrophobicContact CE2-CE1 3.97Å; F379-Y472 HydrophobicContact CE2-CG 4.43Å; F379-Y472 AromaticContact CZ-CD1 3.53Å; F379-Y472 HydrophobicContact CZ-CD1 3.53Å; F379-Y472 HydrophobicContact CZ-CD2 4.09Å; F379-Y472 AromaticContact CZ-CE1 3.36Å; F379-Y472 HydrophobicContact CZ-CE1 3.36Å; F379-Y472 AromaticContact CZ-CE2 3.92Å; F379-Y472 HydrophobicContact CZ-CE2 3.92Å; F379-Y472 AromaticContact CZ-CG 3.91Å; F379-Y472 HydrophobicContact CZ-CG 3.91Å; F379-Y472 AromaticContact CZ-CZ 3.57Å; L440-Y472 HydrophobicContact CD1-CD2 4.14Å; L443-Y472 HydrophobicContact CD2-CD2 4.1Å; L443-Y472 HydrophobicContact CD2-CE2 4.3Å; L443-Y472 HydrophobicContact CG-CE2 4.42Å; V447-Y472 HydrophobicContact CG2-CE2 4.23Å; F462-Y472 HydrophobicContact CE1-CD2 4.12Å; F462-Y472 HydrophobicContact CE1-CG 4.05Å; F462-Y472 HydrophobicContact CZ-CD2 4.48Å; F462-Y472 HydrophobicContact CZ-CG 4.43Å; Q468-Y472 WeakPolarHBondContact O-CB 3.27Å; Q468-Y472 PolarHBondContact O-N 3.45Å; A469-Y472 PolarHBondContact O-N 2.89Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.41Å; Y472-K475 PolarHBondContact O-N 3.42Å; Y472-K475 VanDerWaalsContact O-N 3.14Å; Y472-M476 HydrophobicContact CD2-CB 4.36Å; Y472-M476 HydrophobicContact CD2-CG 4.18Å; Y472-M476 HydrophobicContact CE1-CB 4.01Å; Y472-M476 HydrophobicContact CE2-CB 3.84Å; Y472-M476 HydrophobicContact CE2-CG 3.78Å; Y472-M476 PolarHBondContact O-N 3.05Å; Y472-G477 WeakPolarHBondContact CE1-O 3.37Å
473E90.9Very high89.1Confident24 Ų2446.9 Ų46.911%0.11224%0.237CC..Hα-helixtrans-62.9-36.6-179.3-73.4178.1154.400112.1A469 E470 K475 G477 H527 Y528 K531A469-E473 WeakPolarHBondContact O-CB 3.36Å; A469-E473 VanDerWaalsContact O-CG 3.22Å; A469-E473 WeakPolarHBondContact O-CG 3.42Å; A469-E473 PolarHBondContact O-N 2.67Å; E470-E473 PolarHBondContact O-N 2.68Å; E473-K475 VanDerWaalsContact C-N 3.33Å; E473-K475 PolarHBondContact O-N 2.91Å; E473-G477 WeakPolarHBondContact O-CA 3.18Å; E473-G477 PolarHBondContact O-N 3.47Å; E473-H527 IonicContact OE1-CD2 3.66Å; E473-H527 IonicContact OE1-NE2 3.72Å; E473-H527 PolarHBondContact OE1-NE2 3.09Å; E473-H527 IonicContact OE2-CE1 2.95Å; E473-H527 IonicContact OE2-NE2 3.27Å; E473-H527 PolarHBondContact OE2-NE2 3.22Å; E473-Y528 VanDerWaalsContact OE1-CE1 3.29Å; E473-Y528 WeakPolarHBondContact OE1-CE1 3.36Å; E473-K531 IonicContact OE1-NZ 2.9Å; E473-K531 PolarHBondContact OE1-NZ 3.07Å; E473-K531 IonicContact OE2-NZ 3.99Å; E473-K531 PolarHBondContact OE2-NZ 2.66Å
474A89.4Confident89.2Confident88 Ų8847.3 Ų47.373%0.72724%0.239SC*.Hα-helixtrans-64.3-36.117500000112.6E470 E471 Y472E470-A474 WeakPolarHBondContact O-CB 3.4Å; E470-A474 PolarHBondContact O-N 3.04Å; E471-A474 PolarHBondContact O-N 3.05Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.41Å
475K87.8Confident89.7Confident99 Ų9942.6 Ų42.643%0.4322%0.219SC..Hα-helixtrans-87.1-43-177.4-73.7173.2172.6166.60113.5L440 E471 Y472 E473L440-K475 HydrophobicContact CD2-CD 4.21Å; E471-K475 PolarHBondContact O-N 3.15Å; E471-K475 IonicContact OE1-NZ 3.06Å; E471-K475 PolarHBondContact OE1-NZ 3.31Å; Y472-K475 PolarHBondContact O-N 3.42Å; Y472-K475 VanDerWaalsContact O-N 3.14Å; E473-K475 VanDerWaalsContact C-N 3.33Å; E473-K475 PolarHBondContact O-N 2.91Å
476M86.6Confident89.9Confident56 Ų5643.4 Ų43.428%0.27623%0.227SC..Hα-helixtrans-115.7-9.8-169.2-58.5-54.2-73.800113.9C444 V447 A448 Y472C444-M476 HydrophobicContact CB-CG 4.22Å; C444-M476 HydrophobicContact CB-SD 3.88Å; V447-M476 HydrophobicContact CB-CE 3.72Å; V447-M476 HydrophobicContact CG1-CE 3.4Å; V447-M476 VanDerWaalsContact CG1-CE 3.4Å; A448-M476 HydrophobicContact CB-CE 4.22Å; Y472-M476 HydrophobicContact CD2-CB 4.36Å; Y472-M476 HydrophobicContact CD2-CG 4.18Å; Y472-M476 HydrophobicContact CE1-CB 4.01Å; Y472-M476 HydrophobicContact CE2-CB 3.84Å; Y472-M476 HydrophobicContact CE2-CG 3.78Å; Y472-M476 PolarHBondContact O-N 3.05Å
477G86.5Confident89.9Confident32 Ų3241.6 Ų41.633%0.3322%0.219SC..  trans81.3-179.1-169.800000113.1Y472 E473Y472-G477 WeakPolarHBondContact CE1-O 3.37Å; E473-G477 WeakPolarHBondContact O-CA 3.18Å; E473-G477 PolarHBondContact O-N 3.47Å
478E89.3Confident89.8Confident107 Ų10734.6 Ų34.650%0.520%0.198SC..  trans-68.4141.5-176.2-61.1-178.2152.200112.4K531 L533E478-K531 WeakPolarHBondContact OE1-CD 3.43Å; E478-K531 WeakPolarHBondContact OE1-CE 3.43Å; E478-K531 IonicContact OE1-NZ 3.55Å; E478-K531 PolarHBondContact OE1-NZ 3.37Å; E478-L533 HydrophobicContact CB-CD1 4.02Å
479P90.2Very high89.5Confident4 Ų435.5 Ų35.53%0.02621%0.206CC..  trans-64.2155.6170.930.2-35.5000110.6F379 V482 Y528 L533F379-P479 HydrophobicContact CD2-CB 3.81Å; F379-P479 HydrophobicContact CD2-CG 3.73Å; F379-P479 HydrophobicContact CE2-CB 3.81Å; F379-P479 HydrophobicContact CE2-CG 3.76Å; F379-P479 HydrophobicContact CG-CB 4.19Å; F379-P479 HydrophobicContact CZ-CB 4.21Å; P479-V482 HydrophobicContact CB-CG2 4.41Å; P479-V482 HydrophobicContact CG-CG2 3.68Å; P479-Y528 HydrophobicContact CG-CE1 3.74Å; P479-L533 HydrophobicContact CG-CD1 4.46Å
480S88.9Confident89.2Confident8 Ų842.6 Ų42.66%0.05624%0.239CC..SBendtrans-68.6-37.1177.7-51.10000112.2P375 K376 V377 T559P375-S480 PolarHBondContact O-OG 3.38Å; K376-S480 WeakPolarHBondContact CA-OG 3.47Å; V377-S480 PolarHBondContact N-OG 2.93Å; V377-S480 WeakPolarHBondContact O-CB 3.3Å; V377-S480 PolarHBondContact O-N 2.68Å; S480-T559 PolarHBondContact O-OG1 3.19Å
481A90.5Very high88.9Confident0 Ų039.5 Ų39.50%023%0.227CC..EExtended strand (participates in β ladder)trans-156.2150.1175.800000110.3I378 F379I378-A481 WeakPolarHBondContact CA-O 3.41Å; I378-A481 HydrophobicContact CG2-CB 4.45Å; F379-A481 PolarHBondContact N-O 3.11Å
482V92.6Very high88.6Confident0 Ų036.7 Ų36.70%021%0.214CC..EExtended strand (participates in β ladder)trans-120.6120.1171-1750000108F379 I381 P479 Y528 L533 L534 H535F379-V482 HydrophobicContact CB-CB 4.46Å; F379-V482 HydrophobicContact CB-CG1 4.12Å; F379-V482 HydrophobicContact CB-CG2 4.15Å; F379-V482 HydrophobicContact CD2-CG2 4.17Å; F379-V482 CarbonylContact O-C 3.49Å; F379-V482 WeakPolarHBondContact O-CA 3.41Å; I381-V482 HydrophobicContact CD1-CG1 3.39Å; I381-V482 HydrophobicContact CG1-CG1 3.94Å; P479-V482 HydrophobicContact CB-CG2 4.41Å; P479-V482 HydrophobicContact CG-CG2 3.68Å; V482-Y528 HydrophobicContact CB-CD2 4.44Å; V482-Y528 HydrophobicContact CB-CG 4.22Å; V482-Y528 HydrophobicContact CG1-CD2 4.06Å; V482-Y528 HydrophobicContact CG1-CG 4.32Å; V482-Y528 HydrophobicContact CG2-CD1 3.61Å; V482-Y528 HydrophobicContact CG2-CD2 4Å; V482-Y528 HydrophobicContact CG2-CE1 3.79Å; V482-Y528 HydrophobicContact CG2-CE2 4.17Å; V482-Y528 HydrophobicContact CG2-CG 3.71Å; V482-L533 HydrophobicContact CG2-CB 4.49Å; V482-L533 PolarHBondContact N-O 3.47Å; V482-L534 HydrophobicContact CB-CD1 4.05Å; V482-L534 HydrophobicContact CG1-CD1 3.67Å; V482-L534 CarbonylContact O-C 3.59Å; V482-L534 WeakPolarHBondContact O-CA 3.31Å; V482-H535 PolarHBondContact O-N 3.2Å
483V93.6Very high88.1Confident0 Ų036.9 Ų36.90%022%0.215CC..EExtended strand (participates in β ladder)trans-107.8119.1-178.6176.50000109I378 F379 M380 I381 L485 H535 I537 I550 I554I378-V483 HydrophobicContact CG2-CG2 4.23Å; F379-V483 PolarHBondContact O-N 3.3Å; M380-V483 HydrophobicContact CE-CB 4.35Å; M380-V483 HydrophobicContact CE-CG1 3.99Å; M380-V483 HydrophobicContact SD-CB 3.59Å; M380-V483 VanDerWaalsContact SD-CB 3.59Å; M380-V483 HydrophobicContact SD-CG1 3.73Å; M380-V483 HydrophobicContact SD-CG2 4.27Å; I381-V483 PolarHBondContact N-O 2.93Å; V483-L485 HydrophobicContact CG1-CD2 4.45Å; V483-H535 WeakPolarHBondContact CA-O 3.36Å; V483-I537 HydrophobicContact CG1-CD1 3.66Å; V483-I537 HydrophobicContact CG1-CG1 4.39Å; V483-I550 HydrophobicContact CG1-CG1 4.28Å; V483-I554 HydrophobicContact CG2-CG1 4.43Å
484L93.1Very high87.7Confident13 Ų1338.9 Ų38.97%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-99.5116.8174.6176.169000110.1I381 S486 F517 I525 L534 H535 T536 I537I381-L484 HydrophobicContact CB-CD1 4.1Å; I381-L484 HydrophobicContact CG2-CD1 3.76Å; I381-L484 WeakPolarHBondContact O-CA 3.21Å; L484-S486 PolarHBondContact O-N 3.24Å; L484-F517 HydrophobicContact CD1-CZ 4.47Å; L484-I525 HydrophobicContact CD1-CD1 4.06Å; L484-I525 HydrophobicContact CD1-CG1 4.36Å; L484-I525 HydrophobicContact CD2-CD1 3.57Å; L484-I525 HydrophobicContact CD2-CG1 3.88Å; L484-I525 HydrophobicContact CG-CD1 4.47Å; L484-L534 HydrophobicContact CB-CD1 3.96Å; L484-L534 HydrophobicContact CD2-CD2 4.49Å; L484-H535 PolarHBondContact N-O 3.19Å; L484-T536 HydrophobicContact CD2-CG2 4.12Å; L484-I537 PolarHBondContact O-N 3.1Å
485L92.1Very high87.3Confident2 Ų237.7 Ų37.71%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-82.694168.8-64.5-175.3000109.7M380 I381 K388 Q391 V483 I537 A539 V546 I550M380-L485 HydrophobicContact CE-CD1 3.61Å; M380-L485 HydrophobicContact CE-CD2 4.1Å; M380-L485 HydrophobicContact CE-CG 3.63Å; I381-L485 PolarHBondContact O-N 2.93Å; K388-L485 HydrophobicContact CB-CD1 4.32Å; K388-L485 HydrophobicContact CG-CD1 3.83Å; Q391-L485 HydrophobicContact CG-CD1 4.3Å; V483-L485 HydrophobicContact CG1-CD2 4.45Å; L485-I537 HydrophobicContact CD2-CB 4.35Å; L485-I537 HydrophobicContact CD2-CG2 4.46Å; L485-A539 HydrophobicContact CB-CB 3.93Å; L485-A539 HydrophobicContact CD2-CB 4.37Å; L485-V546 HydrophobicContact CD2-CG1 4.05Å; L485-I550 HydrophobicContact CD2-CD1 4.07Å; L485-I550 HydrophobicContact CD2-CG1 4.49Å
486S90.3Very high86.8Confident59 Ų5934.2 Ų34.241%0.41320%0.195SC..EExtended strand (participates in β ladder)trans-74.8123.2177-1750000110.1L484 I537 A539L484-S486 PolarHBondContact O-N 3.24Å; S486-I537 PolarHBondContact N-O 3.46Å; S486-A539 WeakPolarHBondContact O-CB 3.42Å; S486-A539 PolarHBondContact O-N 3.45Å
487C87.2Confident86.2Confident14 Ų1434.9 Ų34.910%0.09520%0.198CC..  trans-149.2137.6-177.8-165.20000108.5T491 M492 A539C487-T491 WeakPolarHBondContact SG-CG2 3.28Å; C487-M492 HydrophobicContact CB-CG 3.76Å; C487-M492 HydrophobicContact CB-SD 4.24Å; C487-M492 VanDerWaalsContact O-CE 3.25Å; C487-M492 WeakPolarHBondContact O-CE 3.44Å; C487-A539 HydrophobicContact CB-CB 4.23Å
488S86.5Confident85.3Confident33 Ų3336.6 Ų36.623%0.23121%0.205CC..  trans-62.6148174.953.80000111.7E490 T491 M492 E540S488-E490 PolarHBondContact O-N 3.31Å; S488-T491 PolarHBondContact O-N 2.93Å; S488-T491 VanDerWaalsContact O-N 3.11Å; S488-T491 VanDerWaalsContact OG-CB 3.26Å; S488-T491 WeakPolarHBondContact OG-CB 3.23Å; S488-T491 PolarHBondContact OG-N 3.45Å; S488-T491 PolarHBondContact OG-OG1 2.9Å; S488-M492 WeakPolarHBondContact O-CG 3.28Å; S488-M492 PolarHBondContact O-N 3.22Å; S488-E540 WeakPolarHBondContact CB-OE1 3.43Å; S488-E540 PolarHBondContact N-OE1 3.45Å; S488-E540 PolarHBondContact OG-OE1 3.2Å
489P82.6Confident84Confident44 Ų4439.4 Ų39.429%0.28621%0.211SC..Hα-helixtrans-58.7-31.5175.923.9-33.3000112.3M492 T493 A514P489-M492 HydrophobicContact CB-CE 4.35Å; P489-T493 VanDerWaalsContact O-CB 3.24Å; P489-T493 WeakPolarHBondContact O-CB 3.36Å; P489-T493 PolarHBondContact O-N 3.26Å; P489-T493 PolarHBondContact O-OG1 3.33Å; P489-A514 HydrophobicContact CB-CB 3.95Å
490E82.8Confident82.2Confident148 Ų14840.1 Ų40.169%0.69222%0.216SC*.Hα-helixtrans-64-47.8174.2-63.9173-170.500111.7S488 T493 S494S488-E490 PolarHBondContact O-N 3.31Å; E490-T493 PolarHBondContact O-N 2.99Å; E490-S494 VanDerWaalsContact O-CB 3.27Å; E490-S494 WeakPolarHBondContact O-CB 3.41Å; E490-S494 PolarHBondContact O-N 3.32Å; E490-S494 PolarHBondContact O-OG 3.03Å
491T84.7Confident80Confident34 Ų3450.6 Ų50.621%0.20925%0.254CS..Hα-helixtrans-68.3-41.2178.2-62.70000111.5C487 S488 S494 R495 E540C487-T491 WeakPolarHBondContact SG-CG2 3.28Å; S488-T491 PolarHBondContact O-N 2.93Å; S488-T491 VanDerWaalsContact O-N 3.11Å; S488-T491 VanDerWaalsContact OG-CB 3.26Å; S488-T491 WeakPolarHBondContact OG-CB 3.23Å; S488-T491 PolarHBondContact OG-N 3.45Å; S488-T491 PolarHBondContact OG-OG1 2.9Å; T491-S494 PolarHBondContact O-N 3.31Å; T491-R495 HydrophobicContact CG2-CG 4.27Å; T491-R495 VanDerWaalsContact O-CB 3.3Å; T491-R495 WeakPolarHBondContact O-CB 3.47Å; T491-R495 VanDerWaalsContact O-CG 3.24Å; T491-R495 WeakPolarHBondContact O-CG 3.45Å; T491-R495 PolarHBondContact O-N 3.5Å; T491-E540 HydrophobicContact CG2-CG 4.45Å
492M83.9Confident77.7Confident3 Ų354.6 Ų54.62%0.01528%0.282CS..Hα-helixtrans-57.2-51.4174-75.8-168.5-72.600111G383 P384 C487 S488 P489 S494 R495 V496 A514G383-M492 VanDerWaalsContact CA-SD 3.56Å; P384-M492 VanDerWaalsContact O-CB 3.26Å; P384-M492 WeakPolarHBondContact O-CB 3.49Å; P384-M492 WeakPolarHBondContact O-CG 3.37Å; C487-M492 HydrophobicContact CB-CG 3.76Å; C487-M492 HydrophobicContact CB-SD 4.24Å; C487-M492 VanDerWaalsContact O-CE 3.25Å; C487-M492 WeakPolarHBondContact O-CE 3.44Å; S488-M492 WeakPolarHBondContact O-CG 3.28Å; S488-M492 PolarHBondContact O-N 3.22Å; P489-M492 HydrophobicContact CB-CE 4.35Å; M492-S494 PolarHBondContact O-N 3.35Å; M492-R495 PolarHBondContact O-N 3.07Å; M492-V496 VanDerWaalsContact O-CG2 3.3Å; M492-V496 WeakPolarHBondContact O-CG2 3.34Å; M492-V496 PolarHBondContact O-N 3.21Å; M492-A514 HydrophobicContact CB-CB 4.49Å; M492-A514 HydrophobicContact CE-CB 4.06Å
493T81.2Confident75.3Confident7 Ų755.7 Ų55.74%0.04329%0.29CS..Hα-helixtrans-62.7-45.1179-57.40000111.2P489 E490 R495 V496 Q497 L510P489-T493 VanDerWaalsContact O-CB 3.24Å; P489-T493 WeakPolarHBondContact O-CB 3.36Å; P489-T493 PolarHBondContact O-N 3.26Å; P489-T493 PolarHBondContact O-OG1 3.33Å; E490-T493 PolarHBondContact O-N 2.99Å; T493-R495 PolarHBondContact O-N 2.96Å; T493-V496 PolarHBondContact O-N 3.34Å; T493-Q497 HydrophobicContact CG2-CG 4.31Å; T493-Q497 WeakPolarHBondContact O-CB 3.3Å; T493-Q497 WeakPolarHBondContact O-CG 3.22Å; T493-Q497 PolarHBondContact O-N 3.09Å; T493-L510 HydrophobicContact CG2-CB 3.84Å; T493-L510 HydrophobicContact CG2-CD1 4.19Å
494S81.4Confident73Confident65 Ų6560.5 Ų60.546%0.45532%0.323SS..Hα-helixtrans-62.5-38.5177.6-61.20000112.9E490 T491 M492 S498E490-S494 VanDerWaalsContact O-CB 3.27Å; E490-S494 WeakPolarHBondContact O-CB 3.41Å; E490-S494 PolarHBondContact O-N 3.32Å; E490-S494 PolarHBondContact O-OG 3.03Å; T491-S494 PolarHBondContact O-N 3.31Å; M492-S494 PolarHBondContact O-N 3.35Å; S494-S498 VanDerWaalsContact O-CB 3.3Å; S494-S498 WeakPolarHBondContact O-CB 3.46Å; S494-S498 PolarHBondContact O-N 3.44Å; S494-S498 PolarHBondContact O-OG 3.15Å
495R82.3Confident70.8Confident64 Ų6461.2 Ų61.224%0.24233%0.33CS..Hα-helixtrans-71.9-38177.3-75.7177179.9-1791.1112G385 T491 M492 T493 S498 R499 A539 E540G385-R495 VanDerWaalsContact O-CD 3.24Å; G385-R495 WeakPolarHBondContact O-CD 3.36Å; T491-R495 HydrophobicContact CG2-CG 4.27Å; T491-R495 VanDerWaalsContact O-CB 3.3Å; T491-R495 WeakPolarHBondContact O-CB 3.47Å; T491-R495 VanDerWaalsContact O-CG 3.24Å; T491-R495 WeakPolarHBondContact O-CG 3.45Å; T491-R495 PolarHBondContact O-N 3.5Å; M492-R495 PolarHBondContact O-N 3.07Å; T493-R495 PolarHBondContact O-N 2.96Å; R495-S498 WeakPolarHBondContact CA-OG 3.27Å; R495-S498 PolarHBondContact O-OG 2.97Å; R495-S498 VanDerWaalsContact O-OG 3.08Å; R495-R499 WeakPolarHBondContact O-CG 3.31Å; R495-R499 PolarHBondContact O-N 3.37Å; R495-R499 VanDerWaalsContact O-N 3.15Å; R495-A539 VanDerWaalsContact CZ-O 3.22Å; R495-A539 PolarHBondContact NH1-O 2.88Å; R495-A539 PolarHBondContact NH2-O 2.94Å; R495-E540 PolarHBondContact NH2-O 2.84Å; R495-E540 VanDerWaalsContact NH2-O 3.14Å
496V76.4Confident69Low26 Ų2663.8 Ų63.816%0.15835%0.348CS..Hα-helixtrans-66.3-47.7172.7176.80000109.8P384 M492 T493 S498 R499 S500 L510P384-V496 HydrophobicContact CB-CG2 4.27Å; M492-V496 VanDerWaalsContact O-CG2 3.3Å; M492-V496 WeakPolarHBondContact O-CG2 3.34Å; M492-V496 PolarHBondContact O-N 3.21Å; T493-V496 PolarHBondContact O-N 3.34Å; V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.33Å; V496-R499 PolarHBondContact O-N 3.35Å; V496-S500 WeakPolarHBondContact O-CB 3.38Å; V496-S500 PolarHBondContact O-N 2.92Å; V496-S500 PolarHBondContact O-OG 3.05Å; V496-S500 VanDerWaalsContact O-OG 3.06Å; V496-L510 HydrophobicContact CB-CD1 4.23Å; V496-L510 HydrophobicContact CG1-CD1 3.84Å; V496-L510 HydrophobicContact CG1-CD2 3.7Å; V496-L510 HydrophobicContact CG1-CG 4.41Å
497Q73.9Confident67.5Low69 Ų6966.9 Ų66.932%0.32236%0.356SS..Hα-helixtrans-59.6-39.4176.5-73.8174.9-3.700113.4T493 S500 R501 L510T493-Q497 HydrophobicContact CG2-CG 4.31Å; T493-Q497 WeakPolarHBondContact O-CB 3.3Å; T493-Q497 WeakPolarHBondContact O-CG 3.22Å; T493-Q497 PolarHBondContact O-N 3.09Å; Q497-S500 CarbonylContact O-C 3.59Å; Q497-S500 WeakPolarHBondContact O-CA 3.41Å; Q497-S500 PolarHBondContact O-N 3.1Å; Q497-R501 PolarHBondContact O-N 3.38Å; Q497-L510 HydrophobicContact CG-CD1 3.77Å
498S67.3Low66.3Low69 Ų6969.4 Ų69.448%0.48337%0.373SS..Hα-helixtrans-73.2-26.317957.10000113.5S494 R495 V496 R501S494-S498 VanDerWaalsContact O-CB 3.3Å; S494-S498 WeakPolarHBondContact O-CB 3.46Å; S494-S498 PolarHBondContact O-N 3.44Å; S494-S498 PolarHBondContact O-OG 3.15Å; R495-S498 WeakPolarHBondContact CA-OG 3.27Å; R495-S498 PolarHBondContact O-OG 2.97Å; R495-S498 VanDerWaalsContact O-OG 3.08Å; V496-S498 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.33Å; S498-R501 WeakPolarHBondContact O-CG 3.32Å
499R62.5Low65.3Low165 Ų16569.2 Ų69.262%0.62337%0.374SS*.Hα-helixtrans-73.9-39.4165.6-70174.2-178.8-167-2.7110.8R495 V496 R501R495-R499 WeakPolarHBondContact O-CG 3.31Å; R495-R499 PolarHBondContact O-N 3.37Å; R495-R499 VanDerWaalsContact O-N 3.15Å; V496-R499 PolarHBondContact O-N 3.35Å; R499-R501 VanDerWaalsContact C-N 3.28Å; R499-R501 PolarHBondContact O-N 3.41Å
500S52.5Low64.7Low20 Ų2067.6 Ų67.614%0.1436%0.363CS..  trans-86.545.2178.7-63.10000113.1V496 Q497 S502 S503V496-S500 WeakPolarHBondContact O-CB 3.38Å; V496-S500 PolarHBondContact O-N 2.92Å; V496-S500 PolarHBondContact O-OG 3.05Å; V496-S500 VanDerWaalsContact O-OG 3.06Å; Q497-S500 CarbonylContact O-C 3.59Å; Q497-S500 WeakPolarHBondContact O-CA 3.41Å; Q497-S500 PolarHBondContact O-N 3.1Å; S500-S502 PolarHBondContact O-N 2.9Å; S500-S503 VanDerWaalsContact CB-OG 3.24Å; S500-S503 WeakPolarHBondContact CB-OG 3.47Å; S500-S503 PolarHBondContact O-N 3.08Å; S500-S503 PolarHBondContact OG-OG 3.45Å
501R42.3Very low64.3Low228 Ų22864.3 Ų64.386%0.8635%0.347SS*.THydrogen-bonded Turntrans-57.54.2179-90.5172.8170-178.5-1115.2Q497 S498 R499Q497-R501 PolarHBondContact O-N 3.38Å; S498-R501 WeakPolarHBondContact O-CG 3.32Å; R499-R501 VanDerWaalsContact C-N 3.28Å; R499-R501 PolarHBondContact O-N 3.41Å
502S42.7Very low63.8Low83 Ų8370.2 Ų70.258%0.5837%0.366SS*.THydrogen-bonded Turntrans-142.82175.648.50000115.7S500S500-S502 PolarHBondContact O-N 2.9Å
503S42.7Very low63.3Low23 Ų2373.8 Ų73.816%0.16138%0.379CS..  trans-107.7119.1179.393.50000111E305 S500 S505E305-S503 WeakPolarHBondContact OE2-CB 3.22Å; S500-S503 VanDerWaalsContact CB-OG 3.24Å; S500-S503 WeakPolarHBondContact CB-OG 3.47Å; S500-S503 PolarHBondContact O-N 3.08Å; S500-S503 PolarHBondContact OG-OG 3.45Å; S503-S505 PolarHBondContact O-N 3.05Å; S503-S505 VanDerWaalsContact O-N 3.1Å
504S44.1Very low63Low101 Ų10173.5 Ų73.571%0.70638%0.377SS*.  trans-83.955.4174.767.90000110.1S506S504-S506 PolarHBondContact O-N 2.93Å; S504-S506 VanDerWaalsContact O-N 3.13Å
505S46.7Very low62.8Low29 Ų2974.9 Ų74.920%0.20338%0.377CS..  trans-58.9119.2156.9390000105.6S503 E507 L510S503-S505 PolarHBondContact O-N 3.05Å; S503-S505 VanDerWaalsContact O-N 3.1Å; S505-E507 PolarHBondContact O-N 3.39Å; S505-L510 VanDerWaalsContact OG-CD1 3.3Å; S505-L510 WeakPolarHBondContact OG-CD1 3.36Å; S505-L510 WeakPolarHBondContact OG-CG 3.32Å
506S54.4Low62.7Low55 Ų5574.7 Ų74.739%0.38539%0.385SS..  trans-53134.6-178.4750000107.2S504 S508 A509 L510S504-S506 PolarHBondContact O-N 2.93Å; S504-S506 VanDerWaalsContact O-N 3.13Å; S506-S508 WeakPolarHBondContact CB-OG 3.25Å; S506-S508 PolarHBondContact O-N 3.43Å; S506-S508 PolarHBondContact OG-OG 3.23Å; S506-A509 WeakPolarHBondContact O-CA 3.5Å; S506-A509 WeakPolarHBondContact O-CB 3.39Å; S506-A509 PolarHBondContact O-N 3.17Å; S506-A509 WeakPolarHBondContact OG-CB 3.34Å; S506-A509 PolarHBondContact OG-N 3.44Å; S506-L510 PolarHBondContact O-N 2.67Å; S506-L510 VanDerWaalsContact O-N 3.15Å
507E59.1Low62.9Low125 Ų12575.9 Ų75.958%0.58439%0.388SS*.Hα-helixtrans-48.4-36.7177.7-175.2170.4-162.700110.2S505 A509 L510 Q511S505-E507 PolarHBondContact O-N 3.39Å; E507-A509 PolarHBondContact O-N 3.35Å; E507-L510 PolarHBondContact O-N 2.87Å; E507-Q511 WeakPolarHBondContact O-CB 3.46Å; E507-Q511 PolarHBondContact O-N 3.08Å
508S62.3Low63Low66 Ų6674.9 Ų74.946%0.46239%0.388SS..Hα-helixtrans-65.5-26.8172.363.20000116.5S506 R512S506-S508 WeakPolarHBondContact CB-OG 3.25Å; S506-S508 PolarHBondContact O-N 3.43Å; S506-S508 PolarHBondContact OG-OG 3.23Å; S508-R512 VanDerWaalsContact O-CB 3.23Å; S508-R512 WeakPolarHBondContact O-CB 3.44Å; S508-R512 WeakPolarHBondContact O-CG 3.49Å; S508-R512 PolarHBondContact O-N 3.25Å; S508-R512 PolarHBondContact O-NE 3.46Å
509A66.6Low63.5Low29 Ų2975 Ų7524%0.2439%0.39CS..Hα-helixtrans-81.8-40.8175.400000111.6S506 E507 Q511 R512 R513S506-A509 WeakPolarHBondContact O-CA 3.5Å; S506-A509 WeakPolarHBondContact O-CB 3.39Å; S506-A509 PolarHBondContact O-N 3.17Å; S506-A509 WeakPolarHBondContact OG-CB 3.34Å; S506-A509 PolarHBondContact OG-N 3.44Å; E507-A509 PolarHBondContact O-N 3.35Å; A509-Q511 VanDerWaalsContact C-N 3.34Å; A509-R512 PolarHBondContact O-N 2.89Å; A509-R513 WeakPolarHBondContact O-CB 3.24Å; A509-R513 WeakPolarHBondContact O-CG 3.32Å; A509-R513 PolarHBondContact O-N 3.34Å
510L69.3Low64.2Low11 Ų1171.3 Ų71.36%0.05838%0.382CS..Hα-helixtrans-64.9-42.7172.7-69.1-176.8000111.2T493 V496 Q497 S505 S506 E507 R513 A514T493-L510 HydrophobicContact CG2-CB 3.84Å; T493-L510 HydrophobicContact CG2-CD1 4.19Å; V496-L510 HydrophobicContact CB-CD1 4.23Å; V496-L510 HydrophobicContact CG1-CD1 3.84Å; V496-L510 HydrophobicContact CG1-CD2 3.7Å; V496-L510 HydrophobicContact CG1-CG 4.41Å; Q497-L510 HydrophobicContact CG-CD1 3.77Å; S505-L510 VanDerWaalsContact OG-CD1 3.3Å; S505-L510 WeakPolarHBondContact OG-CD1 3.36Å; S505-L510 WeakPolarHBondContact OG-CG 3.32Å; S506-L510 PolarHBondContact O-N 2.67Å; S506-L510 VanDerWaalsContact O-N 3.15Å; E507-L510 PolarHBondContact O-N 2.87Å; L510-R513 WeakPolarHBondContact O-CB 3.02Å; L510-R513 PolarHBondContact O-N 3.25Å; L510-A514 WeakPolarHBondContact O-CB 3.43Å; L510-A514 PolarHBondContact O-N 3.01Å
511Q73.3Confident65.7Low78 Ų7870.6 Ų70.636%0.36438%0.377SS..Hα-helixtrans-64.8-44.6176.5-176.1159.4-3.700111.4E507 A509 R513 A514 E515E507-Q511 WeakPolarHBondContact O-CB 3.46Å; E507-Q511 PolarHBondContact O-N 3.08Å; A509-Q511 VanDerWaalsContact C-N 3.34Å; Q511-R513 VanDerWaalsContact C-N 3.29Å; Q511-R513 PolarHBondContact O-N 3.13Å; Q511-A514 WeakPolarHBondContact O-CB 3.37Å; Q511-A514 PolarHBondContact O-N 2.85Å; Q511-A514 VanDerWaalsContact O-N 3.17Å; Q511-E515 HydrophobicContact CG-CG 4.38Å; Q511-E515 VanDerWaalsContact CG-OE1 3.23Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.43Å; Q511-E515 PolarHBondContact NE2-OE1 3.13Å; Q511-E515 VanDerWaalsContact NE2-OE1 3.12Å; Q511-E515 WeakPolarHBondContact O-CB 3.24Å; Q511-E515 VanDerWaalsContact O-CG 3.3Å; Q511-E515 WeakPolarHBondContact O-CG 3.03Å; Q511-E515 PolarHBondContact O-N 3.16Å
512R75.6Confident67.8Low159 Ų15965.7 Ų65.760%0.636%0.364SS*.Hα-helixtrans-58.4-38171.5-81.8-177.6-67.9165.3-1.2112.9S508 A509 S516S508-R512 VanDerWaalsContact O-CB 3.23Å; S508-R512 WeakPolarHBondContact O-CB 3.44Å; S508-R512 WeakPolarHBondContact O-CG 3.49Å; S508-R512 PolarHBondContact O-N 3.25Å; S508-R512 PolarHBondContact O-NE 3.46Å; A509-R512 PolarHBondContact O-N 2.89Å; R512-S516 VanDerWaalsContact O-CB 3.27Å; R512-S516 WeakPolarHBondContact O-CB 3.17Å; R512-S516 PolarHBondContact O-N 3.12Å
513R72.6Confident70Confident78 Ų7864 Ų6429%0.29436%0.355SS..Hα-helixtrans-67.2-41.2175.6-76.9175.4173.7176.4-0.7112.1N336 A509 L510 Q511 F517N336-R513 PolarHBondContact O-NH2 3.14Å; A509-R513 WeakPolarHBondContact O-CB 3.24Å; A509-R513 WeakPolarHBondContact O-CG 3.32Å; A509-R513 PolarHBondContact O-N 3.34Å; L510-R513 WeakPolarHBondContact O-CB 3.02Å; L510-R513 PolarHBondContact O-N 3.25Å; Q511-R513 VanDerWaalsContact C-N 3.29Å; Q511-R513 PolarHBondContact O-N 3.13Å; R513-F517 PolarHBondContact O-N 3.24Å; R513-F517 VanDerWaalsContact O-N 3.1Å
514A74.9Confident72.3Confident1 Ų163 Ų631%0.00835%0.348CS..Hα-helixtrans-65.1-43.5175.600000111.5P489 M492 L510 Q511 C518P489-A514 HydrophobicContact CB-CB 3.95Å; M492-A514 HydrophobicContact CB-CB 4.49Å; M492-A514 HydrophobicContact CE-CB 4.06Å; L510-A514 WeakPolarHBondContact O-CB 3.43Å; L510-A514 PolarHBondContact O-N 3.01Å; Q511-A514 WeakPolarHBondContact O-CB 3.37Å; Q511-A514 PolarHBondContact O-N 2.85Å; Q511-A514 VanDerWaalsContact O-N 3.17Å; A514-C518 PolarHBondContact O-N 2.96Å; A514-C518 VanDerWaalsContact O-N 3.09Å; A514-C518 PolarHBondContact O-SG 3.47Å
515E77.8Confident74.5Confident94 Ų9459.8 Ų59.844%0.43932%0.322SS..Hα-helixtrans-67.3-43.8177.4-72.3168.9-176.200112.3Q511 F517 C518 S519Q511-E515 HydrophobicContact CG-CG 4.38Å; Q511-E515 VanDerWaalsContact CG-OE1 3.23Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.43Å; Q511-E515 PolarHBondContact NE2-OE1 3.13Å; Q511-E515 VanDerWaalsContact NE2-OE1 3.12Å; Q511-E515 WeakPolarHBondContact O-CB 3.24Å; Q511-E515 VanDerWaalsContact O-CG 3.3Å; Q511-E515 WeakPolarHBondContact O-CG 3.03Å; Q511-E515 PolarHBondContact O-N 3.16Å; E515-F517 VanDerWaalsContact C-N 3.35Å; E515-F517 PolarHBondContact O-N 3.05Å; E515-C518 WeakPolarHBondContact O-CB 3.43Å; E515-C518 PolarHBondContact O-N 3.46Å; E515-C518 VanDerWaalsContact O-N 3.16Å; E515-S519 PolarHBondContact O-N 2.92Å
516S79.3Confident76.6Confident60 Ų6060.4 Ų60.442%0.4233%0.33SS..Hα-helixtrans-57-49.1174.3-168.90000110.5R512 C518 S519 D520R512-S516 VanDerWaalsContact O-CB 3.27Å; R512-S516 WeakPolarHBondContact O-CB 3.17Å; R512-S516 PolarHBondContact O-N 3.12Å; S516-C518 VanDerWaalsContact C-N 3.31Å; S516-C518 PolarHBondContact O-N 3.43Å; S516-S519 WeakPolarHBondContact O-CB 3.48Å; S516-S519 PolarHBondContact O-N 3.34Å; S516-D520 WeakPolarHBondContact O-CB 3.33Å; S516-D520 PolarHBondContact O-N 2.88Å; S516-D520 PolarHBondContact OG-OD2 3.37Å
517F80.3Confident78.4Confident50 Ų5058.4 Ų58.422%0.21931%0.314CS..Hα-helixtrans-56.5-45.6175.9169.7-94.5000112I381 G382 L484 R513 E515 S519 D520 A521I381-F517 HydrophobicContact CG2-CE2 4.09Å; I381-F517 HydrophobicContact CG2-CZ 3.92Å; G382-F517 VanDerWaalsContact C-CE1 3.46Å; G382-F517 WeakPolarHBondContact O-CE2 3.24Å; G382-F517 WeakPolarHBondContact O-CZ 3.26Å; L484-F517 HydrophobicContact CD1-CZ 4.47Å; R513-F517 PolarHBondContact O-N 3.24Å; R513-F517 VanDerWaalsContact O-N 3.1Å; E515-F517 VanDerWaalsContact C-N 3.35Å; E515-F517 PolarHBondContact O-N 3.05Å; F517-S519 PolarHBondContact O-N 2.71Å; F517-D520 PolarHBondContact O-N 2.56Å; F517-A521 HydrophobicContact CD2-CB 4.36Å; F517-A521 HydrophobicContact CE1-CB 4.23Å; F517-A521 HydrophobicContact CE2-CB 3.85Å; F517-A521 HydrophobicContact CZ-CB 3.75Å; F517-A521 WeakPolarHBondContact O-CB 3.15Å; F517-A521 PolarHBondContact O-N 2.98Å
518C76.4Confident80Confident48 Ų4852.5 Ų52.532%0.32429%0.286SS..Hα-helixtrans-63.4-28.6178.4-710000113A514 E515 S516 Q522A514-C518 PolarHBondContact O-N 2.96Å; A514-C518 VanDerWaalsContact O-N 3.09Å; A514-C518 PolarHBondContact O-SG 3.47Å; E515-C518 WeakPolarHBondContact O-CB 3.43Å; E515-C518 PolarHBondContact O-N 3.46Å; E515-C518 VanDerWaalsContact O-N 3.16Å; S516-C518 VanDerWaalsContact C-N 3.31Å; S516-C518 PolarHBondContact O-N 3.43Å; C518-Q522 VanDerWaalsContact O-CG 3.29Å; C518-Q522 WeakPolarHBondContact O-CG 3.35Å; C518-Q522 PolarHBondContact O-NE2 3.05Å
519S78.4Confident81.4Confident73 Ų7354.2 Ų54.251%0.5129%0.287SS..Hα-helixtrans-78.1-50.8174.5-177.70000111.2E515 S516 F517 A521 Q522E515-S519 PolarHBondContact O-N 2.92Å; S516-S519 WeakPolarHBondContact O-CB 3.48Å; S516-S519 PolarHBondContact O-N 3.34Å; F517-S519 PolarHBondContact O-N 2.71Å; S519-A521 PolarHBondContact O-N 3.27Å; S519-Q522 WeakPolarHBondContact O-CB 3.14Å; S519-Q522 PolarHBondContact O-N 3.01Å
520D77.6Confident82.6Confident87 Ų8761.4 Ų61.447%0.46531%0.308SS..Hα-helixtrans-69.1-35.7-173.1-57.8-29.6000111.7S516 F517 Q522S516-D520 WeakPolarHBondContact O-CB 3.33Å; S516-D520 PolarHBondContact O-N 2.88Å; S516-D520 PolarHBondContact OG-OD2 3.37Å; F517-D520 PolarHBondContact O-N 2.56Å; D520-Q522 VanDerWaalsContact C-N 3.29Å; D520-Q522 PolarHBondContact O-N 2.92Å
521A83.4Confident83.5Confident4 Ų464 Ų643%0.03332%0.319CS..Hα-helixtrans-72.2-17.8179.200000113.5F517 S519 A523 V524 I525F517-A521 HydrophobicContact CD2-CB 4.36Å; F517-A521 HydrophobicContact CE1-CB 4.23Å; F517-A521 HydrophobicContact CE2-CB 3.85Å; F517-A521 HydrophobicContact CZ-CB 3.75Å; F517-A521 WeakPolarHBondContact O-CB 3.15Å; F517-A521 PolarHBondContact O-N 2.98Å; S519-A521 PolarHBondContact O-N 3.27Å; A521-A523 VanDerWaalsContact C-N 3.33Å; A521-A523 PolarHBondContact O-N 3.13Å; A521-V524 PolarHBondContact O-N 3.34Å; A521-I525 HydrophobicContact CB-CD1 3.99Å; A521-I525 WeakPolarHBondContact O-CB 3.16Å; A521-I525 WeakPolarHBondContact O-CD1 3.42Å; A521-I525 WeakPolarHBondContact O-CG1 3.43Å; A521-I525 PolarHBondContact O-N 3.36Å
522Q86.7Confident84.2Confident126 Ų12668.1 Ų68.159%0.58934%0.34SS*.Hα-helixtrans-59-42.7-176.5-82.1168.327.600112.8C518 S519 D520 V524 I525 A526C518-Q522 VanDerWaalsContact O-CG 3.29Å; C518-Q522 WeakPolarHBondContact O-CG 3.35Å; C518-Q522 PolarHBondContact O-NE2 3.05Å; S519-Q522 WeakPolarHBondContact O-CB 3.14Å; S519-Q522 PolarHBondContact O-N 3.01Å; D520-Q522 VanDerWaalsContact C-N 3.29Å; D520-Q522 PolarHBondContact O-N 2.92Å; Q522-V524 VanDerWaalsContact C-N 3.34Å; Q522-V524 PolarHBondContact O-N 2.74Å; Q522-I525 PolarHBondContact O-N 3.4Å; Q522-A526 WeakPolarHBondContact O-CB 3.32Å; Q522-A526 PolarHBondContact O-N 2.94Å
523A88.4Confident84.8Confident48 Ų4861.9 Ų61.940%0.39732%0.318SS..Hα-helixtrans-65.1-40.3179.700000111.6L466 A521 H527L466-A523 HydrophobicContact CB-CB 4.23Å; A521-A523 VanDerWaalsContact C-N 3.33Å; A521-A523 PolarHBondContact O-N 3.13Å; A523-H527 WeakPolarHBondContact O-CB 3.5Å; A523-H527 PolarHBondContact O-N 2.96Å; A523-H527 VanDerWaalsContact O-N 3.08Å
524V90.8Very high85.7Confident1 Ų159.3 Ų59.31%0.00631%0.31CS..Hα-helixtrans-67.9-43.5177.5178.60000111.4I381 P463 D465 A521 Q522 H527 Y528I381-V524 HydrophobicContact CD1-CG1 3.67Å; P463-V524 HydrophobicContact CG-CG1 3.82Å; D465-V524 WeakPolarHBondContact O-CG2 3.44Å; A521-V524 PolarHBondContact O-N 3.34Å; Q522-V524 VanDerWaalsContact C-N 3.34Å; Q522-V524 PolarHBondContact O-N 2.74Å; V524-H527 WeakPolarHBondContact O-CB 3.37Å; V524-H527 PolarHBondContact O-N 2.81Å; V524-Y528 HydrophobicContact CG1-CD2 3.74Å; V524-Y528 HydrophobicContact CG1-CE2 3.73Å; V524-Y528 WeakPolarHBondContact O-CD2 3.47Å; V524-Y528 PolarHBondContact O-N 3.04Å
525I90.6Very high86.5Confident33 Ų3361.3 Ų61.317%0.16932%0.32CS..Hα-helixtrans-58.9-52.6176.8-71.4166.9000109.6L484 A521 Q522 H527 Y528 E529 L534L484-I525 HydrophobicContact CD1-CD1 4.06Å; L484-I525 HydrophobicContact CD1-CG1 4.36Å; L484-I525 HydrophobicContact CD2-CD1 3.57Å; L484-I525 HydrophobicContact CD2-CG1 3.88Å; L484-I525 HydrophobicContact CG-CD1 4.47Å; A521-I525 HydrophobicContact CB-CD1 3.99Å; A521-I525 WeakPolarHBondContact O-CB 3.16Å; A521-I525 WeakPolarHBondContact O-CD1 3.42Å; A521-I525 WeakPolarHBondContact O-CG1 3.43Å; A521-I525 PolarHBondContact O-N 3.36Å; Q522-I525 PolarHBondContact O-N 3.4Å; I525-H527 PolarHBondContact O-N 3.43Å; I525-Y528 PolarHBondContact O-N 2.87Å; I525-E529 HydrophobicContact CG2-CG 4.25Å; I525-E529 WeakPolarHBondContact O-CB 3.14Å; I525-E529 WeakPolarHBondContact O-CG 3.08Å; I525-E529 PolarHBondContact O-N 3.49Å; I525-L534 HydrophobicContact CB-CD2 4.34Å; I525-L534 HydrophobicContact CG2-CD2 3.69Å
526A91.1Very high87.2Confident43 Ų4360.6 Ų60.636%0.35532%0.322SS..Hα-helixtrans-62.4-28.3179.200000113.2Q522 R530Q522-A526 WeakPolarHBondContact O-CB 3.32Å; Q522-A526 PolarHBondContact O-N 2.94Å; A526-R530 VanDerWaalsContact O-CG 3.31Å; A526-R530 WeakPolarHBondContact O-CG 3.29Å; A526-R530 PolarHBondContact O-N 3.27Å; A526-R530 PolarHBondContact O-NE 3.25Å; A526-R530 VanDerWaalsContact O-NE 3.11Å
527H92.6Very high87.9Confident13 Ų1358.2 Ų58.26%0.0630%0.304CS..Hα-helixtrans-68.1-52.6173.4-176.374.1000112.2L466 E473 A523 V524 I525 R530 K531L466-H527 HydrophobicContact CD1-CB 3.57Å; E473-H527 IonicContact OE1-CD2 3.66Å; E473-H527 IonicContact OE1-NE2 3.72Å; E473-H527 PolarHBondContact OE1-NE2 3.09Å; E473-H527 IonicContact OE2-CE1 2.95Å; E473-H527 IonicContact OE2-NE2 3.27Å; E473-H527 PolarHBondContact OE2-NE2 3.22Å; A523-H527 WeakPolarHBondContact O-CB 3.5Å; A523-H527 PolarHBondContact O-N 2.96Å; A523-H527 VanDerWaalsContact O-N 3.08Å; V524-H527 WeakPolarHBondContact O-CB 3.37Å; V524-H527 PolarHBondContact O-N 2.81Å; I525-H527 PolarHBondContact O-N 3.43Å; H527-R530 PolarHBondContact O-N 3Å; H527-K531 PolarHBondContact O-N 3.38Å
528Y92.2Very high88.4Confident0 Ų058.8 Ų58.80%031%0.31CS..Hα-helixtrans-76.8-23.4-177.8-70.9-64.2000114F379 P463 A469 E473 P479 V482 V524 I525 K531 M532 L533 L534F379-Y528 WeakPolarHBondContact CE2-OH 3.34Å; P463-Y528 HydrophobicContact CG-CE2 3.74Å; A469-Y528 HydrophobicContact CB-CE2 4.01Å; E473-Y528 VanDerWaalsContact OE1-CE1 3.29Å; E473-Y528 WeakPolarHBondContact OE1-CE1 3.36Å; P479-Y528 HydrophobicContact CG-CE1 3.74Å; V482-Y528 HydrophobicContact CB-CD2 4.44Å; V482-Y528 HydrophobicContact CB-CG 4.22Å; V482-Y528 HydrophobicContact CG1-CD2 4.06Å; V482-Y528 HydrophobicContact CG1-CG 4.32Å; V482-Y528 HydrophobicContact CG2-CD1 3.61Å; V482-Y528 HydrophobicContact CG2-CD2 4Å; V482-Y528 HydrophobicContact CG2-CE1 3.79Å; V482-Y528 HydrophobicContact CG2-CE2 4.17Å; V482-Y528 HydrophobicContact CG2-CG 3.71Å; V524-Y528 HydrophobicContact CG1-CD2 3.74Å; V524-Y528 HydrophobicContact CG1-CE2 3.73Å; V524-Y528 WeakPolarHBondContact O-CD2 3.47Å; V524-Y528 PolarHBondContact O-N 3.04Å; I525-Y528 PolarHBondContact O-N 2.87Å; Y528-K531 PolarHBondContact O-N 3.48Å; Y528-M532 PolarHBondContact O-N 3.38Å; Y528-L533 HydrophobicContact CD1-CB 4.33Å; Y528-L533 HydrophobicContact CD1-CD1 4.35Å; Y528-L533 PolarHBondContact O-N 3.46Å; Y528-L534 PolarHBondContact O-N 2.93Å
529E91.4Very high89.1Confident102 Ų10256.6 Ų56.648%0.47730%0.295SS..Hα-helixtrans-63-47.2167.7-77.9-177.6167.600111.2I525 K531 M532 L534I525-E529 HydrophobicContact CG2-CG 4.25Å; I525-E529 WeakPolarHBondContact O-CB 3.14Å; I525-E529 WeakPolarHBondContact O-CG 3.08Å; I525-E529 PolarHBondContact O-N 3.49Å; E529-K531 PolarHBondContact O-N 3.03Å; E529-M532 PolarHBondContact O-N 3.11Å; E529-L534 HydrophobicContact CG-CB 4.15Å; E529-L534 HydrophobicContact CG-CD2 3.43Å; E529-L534 VanDerWaalsContact CG-CD2 3.43Å; E529-L534 HydrophobicContact CG-CG 4.4Å
530R91.6Very high89.6Confident180 Ų18057.7 Ų57.768%0.67929%0.292SS*.Hα-helixtrans-60.2-31.4177.4-77.7-177.4-65.7139.9-1.4112.6A526 H527 M532A526-R530 VanDerWaalsContact O-CG 3.31Å; A526-R530 WeakPolarHBondContact O-CG 3.29Å; A526-R530 PolarHBondContact O-N 3.27Å; A526-R530 PolarHBondContact O-NE 3.25Å; A526-R530 VanDerWaalsContact O-NE 3.11Å; H527-R530 PolarHBondContact O-N 3Å; R530-M532 VanDerWaalsContact C-N 3.34Å
531K88.6Confident90.1Very high65 Ų6558.7 Ų58.728%0.28329%0.289SS..THydrogen-bonded Turntrans-85-2.7177.3-68.3-170.8167.4-156.20114.3E473 E478 H527 Y528 E529 L533E473-K531 IonicContact OE1-NZ 2.9Å; E473-K531 PolarHBondContact OE1-NZ 3.07Å; E473-K531 IonicContact OE2-NZ 3.99Å; E473-K531 PolarHBondContact OE2-NZ 2.66Å; E478-K531 WeakPolarHBondContact OE1-CD 3.43Å; E478-K531 WeakPolarHBondContact OE1-CE 3.43Å; E478-K531 IonicContact OE1-NZ 3.55Å; E478-K531 PolarHBondContact OE1-NZ 3.37Å; H527-K531 PolarHBondContact O-N 3.38Å; Y528-K531 PolarHBondContact O-N 3.48Å; E529-K531 PolarHBondContact O-N 3.03Å; K531-L533 HydrophobicContact CB-CD1 4.09Å; K531-L533 HydrophobicContact CB-CG 4.15Å; K531-L533 HydrophobicContact CD-CD1 4.46Å; K531-L533 PolarHBondContact O-N 2.69Å
532M87.3Confident90.4Very high166 Ų16660.5 Ų60.582%0.81830%0.302SS*.THydrogen-bonded Turntrans58.528.2-176.9-57.6-71.4-69.800113.5Y528 E529 R530Y528-M532 PolarHBondContact O-N 3.38Å; E529-M532 PolarHBondContact O-N 3.11Å; R530-M532 VanDerWaalsContact C-N 3.34Å
533L88.7Confident90.5Very high27 Ų2757.5 Ų57.514%0.14129%0.293CS..  trans-103.7-11.7178.4-65174.3000112.6E478 P479 V482 Y528 K531E478-L533 HydrophobicContact CB-CD1 4.02Å; P479-L533 HydrophobicContact CG-CD1 4.46Å; V482-L533 HydrophobicContact CG2-CB 4.49Å; V482-L533 PolarHBondContact N-O 3.47Å; Y528-L533 HydrophobicContact CD1-CB 4.33Å; Y528-L533 HydrophobicContact CD1-CD1 4.35Å; Y528-L533 PolarHBondContact O-N 3.46Å; K531-L533 HydrophobicContact CB-CD1 4.09Å; K531-L533 HydrophobicContact CB-CG 4.15Å; K531-L533 HydrophobicContact CD-CD1 4.46Å; K531-L533 PolarHBondContact O-N 2.69Å
534L91.3Very high90.5Very high24 Ų2458.7 Ų58.713%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-84.1129.2-178-167.972.2000112.5V482 L484 I525 Y528 E529V482-L534 HydrophobicContact CB-CD1 4.05Å; V482-L534 HydrophobicContact CG1-CD1 3.67Å; V482-L534 CarbonylContact O-C 3.59Å; V482-L534 WeakPolarHBondContact O-CA 3.31Å; L484-L534 HydrophobicContact CB-CD1 3.96Å; L484-L534 HydrophobicContact CD2-CD2 4.49Å; I525-L534 HydrophobicContact CB-CD2 4.34Å; I525-L534 HydrophobicContact CG2-CD2 3.69Å; Y528-L534 PolarHBondContact O-N 2.93Å; E529-L534 HydrophobicContact CG-CB 4.15Å; E529-L534 HydrophobicContact CG-CD2 3.43Å; E529-L534 VanDerWaalsContact CG-CD2 3.43Å; E529-L534 HydrophobicContact CG-CG 4.4Å
535H92.9Very high90.5Very high43 Ų4363.3 Ų63.320%0.19932%0.318CS..EExtended strand (participates in β ladder)trans-117.1108.2169.5-60.6-75.9000110.2V482 V483 L484 A553V482-H535 PolarHBondContact O-N 3.2Å; V483-H535 WeakPolarHBondContact CA-O 3.36Å; L484-H535 PolarHBondContact N-O 3.19Å; H535-A553 HydrophobicContact CB-CB 3.74Å
536T92.1Very high90.6Very high80 Ų8061.9 Ų61.949%0.49131%0.311SS..EExtended strand (participates in β ladder)trans-87.4122.9178.1-58.20000110.7L484L484-T536 HydrophobicContact CD2-CG2 4.12Å
537I93.5Very high90.6Very high10 Ų1061.4 Ų61.45%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-123128.8-176.4-61176.3000109.1V483 L484 L485 S486 A539 V546 H549 I550 A553V483-I537 HydrophobicContact CG1-CD1 3.66Å; V483-I537 HydrophobicContact CG1-CG1 4.39Å; L484-I537 PolarHBondContact O-N 3.1Å; L485-I537 HydrophobicContact CD2-CB 4.35Å; L485-I537 HydrophobicContact CD2-CG2 4.46Å; S486-I537 PolarHBondContact N-O 3.46Å; I537-A539 PolarHBondContact O-N 3.33Å; I537-A539 VanDerWaalsContact O-N 3.13Å; I537-V546 HydrophobicContact CG2-CG1 4.09Å; I537-H549 HydrophobicContact CD1-CB 4.5Å; I537-H549 HydrophobicContact CG2-CB 3.89Å; I537-I550 VanDerWaalsContact CD1-CA 3.42Å; I537-I550 HydrophobicContact CD1-CB 3.94Å; I537-I550 HydrophobicContact CD1-CG1 3.33Å; I537-I550 HydrophobicContact CG2-CG1 4.43Å; I537-A553 HydrophobicContact CD1-CB 4.17Å
538D91.3Very high90.6Very high62 Ų6264.4 Ų64.433%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-68.1105.7174.7172.912.5000110.2E540 R541D538-E540 VanDerWaalsContact C-N 3.34Å; D538-E540 WeakPolarHBondContact OD1-CB 3.39Å; D538-E540 PolarHBondContact OD1-N 3.04Å; D538-R541 WeakPolarHBondContact OD2-CG 3.37Å; D538-R541 IonicContact OD2-CZ 3.86Å; D538-R541 IonicContact OD2-NE 3.92Å; D538-R541 PolarHBondContact OD2-NE 3.15Å; D538-R541 IonicContact OD2-NH2 2.7Å
539A90.5Very high90.5Very high2 Ų267.5 Ų67.52%0.01733%0.334CS..THydrogen-bonded Turntrans-87.91.1-178.700000113.1L485 S486 C487 R495 I537 R541L485-A539 HydrophobicContact CB-CB 3.93Å; L485-A539 HydrophobicContact CD2-CB 4.37Å; S486-A539 WeakPolarHBondContact O-CB 3.42Å; S486-A539 PolarHBondContact O-N 3.45Å; C487-A539 HydrophobicContact CB-CB 4.23Å; R495-A539 VanDerWaalsContact CZ-O 3.22Å; R495-A539 PolarHBondContact NH1-O 2.88Å; R495-A539 PolarHBondContact NH2-O 2.94Å; I537-A539 PolarHBondContact O-N 3.33Å; I537-A539 VanDerWaalsContact O-N 3.13Å; A539-R541 VanDerWaalsContact C-N 3.29Å
540E89.2Confident90.5Very high95 Ų9562.6 Ų62.644%0.44431%0.312SS..THydrogen-bonded Turntrans-74.9-22.8176.4-59.7-164.8163.200112.6S488 T491 R495 D538S488-E540 WeakPolarHBondContact CB-OE1 3.43Å; S488-E540 PolarHBondContact N-OE1 3.45Å; S488-E540 PolarHBondContact OG-OE1 3.2Å; T491-E540 HydrophobicContact CG2-CG 4.45Å; R495-E540 PolarHBondContact NH2-O 2.84Å; R495-E540 VanDerWaalsContact NH2-O 3.14Å; D538-E540 VanDerWaalsContact C-N 3.34Å; D538-E540 WeakPolarHBondContact OD1-CB 3.39Å; D538-E540 PolarHBondContact OD1-N 3.04Å
541R89.3Confident90.4Very high109 Ų10954.6 Ų54.641%0.41128%0.283SS..SBendtrans-63.6173.9176.6-58.8-176.5-171.9-164.7-4.5113.2D538 A539 E545 V546 H549D538-R541 WeakPolarHBondContact OD2-CG 3.37Å; D538-R541 IonicContact OD2-CZ 3.86Å; D538-R541 IonicContact OD2-NE 3.92Å; D538-R541 PolarHBondContact OD2-NE 3.15Å; D538-R541 IonicContact OD2-NH2 2.7Å; A539-R541 VanDerWaalsContact C-N 3.29Å; R541-E545 HydrophobicContact CB-CB 4.25Å; R541-V546 HydrophobicContact CB-CG2 3.94Å; R541-H549 PolarHBondContact NH1-NE2 3.45Å
542S88.3Confident90.4Very high42 Ų4256.5 Ų56.529%0.29429%0.293SS..  trans-62142175.976.30000110.7P544 E545 V546S542-P544 VanDerWaalsContact C-N 3.33Å; S542-P544 VanDerWaalsContact O-N 3.17Å; S542-E545 PolarHBondContact O-N 3.45Å; S542-E545 VanDerWaalsContact OG-CG 3.31Å; S542-E545 WeakPolarHBondContact OG-CG 3.47Å; S542-E545 PolarHBondContact OG-OE1 3.12Å; S542-V546 WeakPolarHBondContact O-CG2 3.24Å; S542-V546 PolarHBondContact O-N 3.42Å
543P88.8Confident90.4Very high62 Ų6249.1 Ų49.140%0.40326%0.259SS..Hα-helixtrans-48.7-40.6179-28.234.5000116L390 Q391 R394 F547L390-P543 HydrophobicContact CD2-CB 3.9Å; L390-P543 HydrophobicContact CD2-CG 4.36Å; Q391-P543 PolarHBondContact NE2-O 3.08Å; Q391-P543 VanDerWaalsContact NE2-O 3.1Å; R394-P543 VanDerWaalsContact NH1-C 3.26Å; R394-P543 PolarHBondContact NH1-O 3Å; P543-F547 PolarHBondContact O-N 2.92Å; P543-F547 VanDerWaalsContact O-N 3.14Å
544P89.2Confident90.2Very high73 Ų7347.9 Ų47.947%0.47425%0.252SS..Hα-helixtrans-66.3-40.3175.425.9-33.2000113.2S542 F547 V548S542-P544 VanDerWaalsContact C-N 3.33Å; S542-P544 VanDerWaalsContact O-N 3.17Å; P544-F547 WeakPolarHBondContact O-CB 3.34Å; P544-F547 PolarHBondContact O-N 3.11Å; P544-V548 WeakPolarHBondContact O-CG2 3.31Å; P544-V548 PolarHBondContact O-N 3.33Å
545E90.8Very high89.9Confident98 Ų9852.1 Ų52.146%0.45827%0.271SS..Hα-helixtrans-63.7-44.9176.6-74.7163-132.700111.7R541 S542 F547 V548 H549R541-E545 HydrophobicContact CB-CB 4.25Å; S542-E545 PolarHBondContact O-N 3.45Å; S542-E545 VanDerWaalsContact OG-CG 3.31Å; S542-E545 WeakPolarHBondContact OG-CG 3.47Å; S542-E545 PolarHBondContact OG-OE1 3.12Å; E545-F547 PolarHBondContact O-N 3.11Å; E545-V548 PolarHBondContact O-N 3.41Å; E545-V548 VanDerWaalsContact O-N 3.14Å; E545-H549 PolarHBondContact O-CD2 2.88Å; E545-H549 PolarHBondContact O-N 3.05Å; E545-H549 VanDerWaalsContact O-N 3.09Å
546V91.8Very high89.1Confident4 Ų454.1 Ų54.12%0.02429%0.29CS..Hα-helixtrans-54.8-44.6174.9176.80000110Q391 L485 I537 R541 S542 V548 H549 I550Q391-V546 HydrophobicContact CG-CG1 4.24Å; L485-V546 HydrophobicContact CD2-CG1 4.05Å; I537-V546 HydrophobicContact CG2-CG1 4.09Å; R541-V546 HydrophobicContact CB-CG2 3.94Å; S542-V546 WeakPolarHBondContact O-CG2 3.24Å; S542-V546 PolarHBondContact O-N 3.42Å; V546-V548 PolarHBondContact O-N 3.31Å; V546-H549 PolarHBondContact O-N 3.45Å; V546-I550 HydrophobicContact CG1-CD1 3.97Å; V546-I550 HydrophobicContact CG1-CG1 4.47Å; V546-I550 VanDerWaalsContact O-CG1 3.29Å; V546-I550 WeakPolarHBondContact O-CG1 3.26Å; V546-I550 PolarHBondContact O-N 3.44Å
547F92.1Very high88.1Confident32 Ų3251 Ų5114%0.1427%0.271CS..Hα-helixtrans-63.6-41178.8-172.1-116.6000113.1Q391 R394 L395 R398 P543 P544 E545 H549 I550 C551Q391-F547 VanDerWaalsContact OE1-CB 3.28Å; Q391-F547 VanDerWaalsContact OE1-CD2 3.32Å; R394-F547 HydrophobicContact CB-CD1 4.42Å; R394-F547 HydrophobicContact CB-CD2 3.52Å; R394-F547 HydrophobicContact CB-CE1 4.17Å; R394-F547 HydrophobicContact CB-CE2 3.23Å; R394-F547 HydrophobicContact CB-CG 4.12Å; R394-F547 HydrophobicContact CB-CZ 3.58Å; R394-F547 HydrophobicContact CG-CD2 4.39Å; R394-F547 HydrophobicContact CG-CE2 4.45Å; R394-F547 WeakPolarHBondContact O-CZ 3.44Å; L395-F547 HydrophobicContact CD2-CE2 3.97Å; L395-F547 HydrophobicContact CG-CE2 4.15Å; R398-F547 HydrophobicContact CB-CE1 4.38Å; R398-F547 HydrophobicContact CB-CZ 3.77Å; R398-F547 HydrophobicContact CG-CE1 4.47Å; R398-F547 HydrophobicContact CG-CZ 4.14Å; P543-F547 PolarHBondContact O-N 2.92Å; P543-F547 VanDerWaalsContact O-N 3.14Å; P544-F547 WeakPolarHBondContact O-CB 3.34Å; P544-F547 PolarHBondContact O-N 3.11Å; E545-F547 PolarHBondContact O-N 3.11Å; F547-H549 VanDerWaalsContact C-N 3.3Å; F547-H549 PolarHBondContact O-N 3.34Å; F547-I550 WeakPolarHBondContact O-CB 3.19Å; F547-I550 PolarHBondContact O-N 3.23Å; F547-I550 VanDerWaalsContact O-N 3.17Å; F547-C551 VanDerWaalsContact CZ-SG 3.55Å; F547-C551 PolarHBondContact O-N 3.21Å; F547-C551 PolarHBondContact O-SG 3.46Å; F547-C551 VanDerWaalsContact O-SG 3.34Å
548V91.4Very high86.1Confident76 Ų7655.9 Ų55.946%0.46131%0.313SS..Hα-helixtrans-59.4-43.2175.7175.70000111P544 E545 V546 I550 C551 Q552P544-V548 WeakPolarHBondContact O-CG2 3.31Å; P544-V548 PolarHBondContact O-N 3.33Å; E545-V548 PolarHBondContact O-N 3.41Å; E545-V548 VanDerWaalsContact O-N 3.14Å; V546-V548 PolarHBondContact O-N 3.31Å; V548-I550 VanDerWaalsContact C-N 3.34Å; V548-I550 PolarHBondContact O-N 3.01Å; V548-C551 PolarHBondContact O-N 3.13Å; V548-Q552 WeakPolarHBondContact O-CG 3.29Å; V548-Q552 PolarHBondContact O-N 3.1Å
549H90.9Very high84.4Confident65 Ų6555.8 Ų55.830%0.30132%0.315SS..Hα-helixtrans-65.6-36.1176.6-73.2-64.4000112.8I537 R541 E545 V546 F547 Q552 A553I537-H549 HydrophobicContact CD1-CB 4.5Å; I537-H549 HydrophobicContact CG2-CB 3.89Å; R541-H549 PolarHBondContact NH1-NE2 3.45Å; E545-H549 PolarHBondContact O-CD2 2.88Å; E545-H549 PolarHBondContact O-N 3.05Å; E545-H549 VanDerWaalsContact O-N 3.09Å; V546-H549 PolarHBondContact O-N 3.45Å; F547-H549 VanDerWaalsContact C-N 3.3Å; F547-H549 PolarHBondContact O-N 3.34Å; H549-Q552 PolarHBondContact ND1-OE1 3.3Å; H549-Q552 PolarHBondContact O-N 2.87Å; H549-A553 WeakPolarHBondContact O-CB 3.32Å; H549-A553 PolarHBondContact O-N 3.24Å
550I91.2Very high82.5Confident0 Ų059.3 Ų59.30%033%0.33CS..Hα-helixtrans-63.2-47.3174.1-65.8167.3000110.2Q391 L395 V483 L485 I537 V546 F547 V548 Q552 A553 I554Q391-I550 HydrophobicContact CB-CD1 3.56Å; Q391-I550 HydrophobicContact CG-CD1 3.58Å; L395-I550 HydrophobicContact CD1-CG2 4.01Å; L395-I550 HydrophobicContact CD2-CG2 3.89Å; L395-I550 HydrophobicContact CG-CG2 4.25Å; V483-I550 HydrophobicContact CG1-CG1 4.28Å; L485-I550 HydrophobicContact CD2-CD1 4.07Å; L485-I550 HydrophobicContact CD2-CG1 4.49Å; I537-I550 VanDerWaalsContact CD1-CA 3.42Å; I537-I550 HydrophobicContact CD1-CB 3.94Å; I537-I550 HydrophobicContact CD1-CG1 3.33Å; I537-I550 HydrophobicContact CG2-CG1 4.43Å; V546-I550 HydrophobicContact CG1-CD1 3.97Å; V546-I550 HydrophobicContact CG1-CG1 4.47Å; V546-I550 VanDerWaalsContact O-CG1 3.29Å; V546-I550 WeakPolarHBondContact O-CG1 3.26Å; V546-I550 PolarHBondContact O-N 3.44Å; F547-I550 WeakPolarHBondContact O-CB 3.19Å; F547-I550 PolarHBondContact O-N 3.23Å; F547-I550 VanDerWaalsContact O-N 3.17Å; V548-I550 VanDerWaalsContact C-N 3.34Å; V548-I550 PolarHBondContact O-N 3.01Å; I550-Q552 VanDerWaalsContact C-N 3.34Å; I550-Q552 PolarHBondContact O-N 2.89Å; I550-A553 PolarHBondContact O-N 3.44Å; I550-I554 HydrophobicContact CG2-CD1 3.57Å; I550-I554 HydrophobicContact CG2-CG1 4.33Å; I550-I554 WeakPolarHBondContact O-CG1 3.44Å; I550-I554 PolarHBondContact O-N 3.22Å
551C89.6Confident82.1Confident12 Ų1257.6 Ų57.68%0.08132%0.324CS..Hα-helixtrans-58.9-46.3176.9-66.60000111.4F399 F547 V548 A553 I554 E555F399-C551 HydrophobicContact CE2-CB 4.44Å; F399-C551 HydrophobicContact CZ-CB 4.31Å; F547-C551 VanDerWaalsContact CZ-SG 3.55Å; F547-C551 PolarHBondContact O-N 3.21Å; F547-C551 PolarHBondContact O-SG 3.46Å; F547-C551 VanDerWaalsContact O-SG 3.34Å; V548-C551 PolarHBondContact O-N 3.13Å; C551-A553 VanDerWaalsContact C-N 3.32Å; C551-A553 PolarHBondContact O-N 3.18Å; C551-I554 PolarHBondContact O-N 3.42Å; C551-E555 VanDerWaalsContact O-CB 3.28Å; C551-E555 WeakPolarHBondContact O-CB 3.5Å; C551-E555 VanDerWaalsContact O-CG 3.23Å; C551-E555 WeakPolarHBondContact O-CG 3.38Å; C551-E555 PolarHBondContact O-N 2.82Å
552Q88.3Confident81.8Confident105 Ų10554.8 Ų54.849%0.49132%0.32SS..Hα-helixtrans-59.4-42.5176.7-73.5173.7-10.900112.2V548 H549 I550 S556V548-Q552 WeakPolarHBondContact O-CG 3.29Å; V548-Q552 PolarHBondContact O-N 3.1Å; H549-Q552 PolarHBondContact ND1-OE1 3.3Å; H549-Q552 PolarHBondContact O-N 2.87Å; I550-Q552 VanDerWaalsContact C-N 3.34Å; I550-Q552 PolarHBondContact O-N 2.89Å; Q552-S556 WeakPolarHBondContact O-CB 3.37Å; Q552-S556 PolarHBondContact O-N 3.42Å; Q552-S556 PolarHBondContact O-OG 2.94Å
553A87.1Confident81.4Confident11 Ų1155.6 Ų55.69%0.09132%0.321CS..Hα-helixtrans-62.9-48.2177.700000111.7H535 I537 H549 I550 C551 S556 S557H535-A553 HydrophobicContact CB-CB 3.74Å; I537-A553 HydrophobicContact CD1-CB 4.17Å; H549-A553 WeakPolarHBondContact O-CB 3.32Å; H549-A553 PolarHBondContact O-N 3.24Å; I550-A553 PolarHBondContact O-N 3.44Å; C551-A553 VanDerWaalsContact C-N 3.32Å; C551-A553 PolarHBondContact O-N 3.18Å; A553-S556 PolarHBondContact O-N 3.39Å; A553-S556 PolarHBondContact O-OG 3.13Å; A553-S557 PolarHBondContact O-N 2.7Å; A553-S557 VanDerWaalsContact O-N 3.13Å
554I85.6Confident81Confident0 Ų055.2 Ų55.20%032%0.317CS..Hα-helixtrans-66.3-44.7-179.7-65.1168000111I378 L395 V483 I550 C551 S556 S557 F560I378-I554 HydrophobicContact CD1-CD1 3.68Å; I378-I554 HydrophobicContact CD1-CG1 3.95Å; I378-I554 HydrophobicContact CD1-CG2 3.84Å; L395-I554 HydrophobicContact CD1-CD1 3.92Å; L395-I554 HydrophobicContact CD2-CD1 3.39Å; L395-I554 HydrophobicContact CG-CD1 4.32Å; V483-I554 HydrophobicContact CG2-CG1 4.43Å; I550-I554 HydrophobicContact CG2-CD1 3.57Å; I550-I554 HydrophobicContact CG2-CG1 4.33Å; I550-I554 WeakPolarHBondContact O-CG1 3.44Å; I550-I554 PolarHBondContact O-N 3.22Å; C551-I554 PolarHBondContact O-N 3.42Å; I554-S556 VanDerWaalsContact C-N 3.27Å; I554-S556 PolarHBondContact O-N 3.16Å; I554-S557 WeakPolarHBondContact O-CB 2.91Å; I554-S557 PolarHBondContact O-N 3.39Å; I554-S557 PolarHBondContact O-OG 3.23Å; I554-F560 HydrophobicContact CG2-CB 4.03Å; I554-F560 HydrophobicContact CG2-CD1 3.84Å; I554-F560 HydrophobicContact CG2-CD2 3.68Å; I554-F560 HydrophobicContact CG2-CE1 4.22Å; I554-F560 HydrophobicContact CG2-CE2 4.08Å; I554-F560 HydrophobicContact CG2-CG 3.53Å; I554-F560 HydrophobicContact CG2-CZ 4.31Å; I554-F560 WeakPolarHBondContact O-CB 3.43Å
555E83.8Confident80.5Confident113 Ų11354.1 Ų54.153%0.52831%0.307SS..Hα-helixtrans-67.2-27.2177.5-69.9171.3178.800112.5F399 C551F399-E555 HydrophobicContact CE1-CG 4.25Å; F399-E555 HydrophobicContact CZ-CG 4.17Å; C551-E555 VanDerWaalsContact O-CB 3.28Å; C551-E555 WeakPolarHBondContact O-CB 3.5Å; C551-E555 VanDerWaalsContact O-CG 3.23Å; C551-E555 WeakPolarHBondContact O-CG 3.38Å; C551-E555 PolarHBondContact O-N 2.82Å
556S76Confident79.8Confident85 Ų8551.1 Ų51.159%0.59430%0.297SS*.Hα-helixtrans-77.7-21.8174.575.10000113.6Q552 A553 I554 A558Q552-S556 WeakPolarHBondContact O-CB 3.37Å; Q552-S556 PolarHBondContact O-N 3.42Å; Q552-S556 PolarHBondContact O-OG 2.94Å; A553-S556 PolarHBondContact O-N 3.39Å; A553-S556 PolarHBondContact O-OG 3.13Å; I554-S556 VanDerWaalsContact C-N 3.27Å; I554-S556 PolarHBondContact O-N 3.16Å; S556-A558 PolarHBondContact O-N 2.86Å
557S70.7Confident78.9Confident14 Ų1454.5 Ų54.510%0.09832%0.316CS..SBendtrans-69.5127.717575.60000108.4A553 I554 T559 F560A553-S557 PolarHBondContact O-N 2.7Å; A553-S557 VanDerWaalsContact O-N 3.13Å; I554-S557 WeakPolarHBondContact O-CB 2.91Å; I554-S557 PolarHBondContact O-N 3.39Å; I554-S557 PolarHBondContact O-OG 3.23Å; S557-T559 PolarHBondContact O-N 3.44Å; S557-F560 PolarHBondContact O-N 3.1Å
558A51.5Low77.9Confident113 Ų11356.2 Ų56.293%0.93433%0.33SS*.THydrogen-bonded Turntrans-64.814.5-172.600000114.9S556S556-A558 PolarHBondContact O-N 2.86Å
559T55.7Low76.8Confident60 Ų6054.6 Ų54.637%0.36832%0.319SS..THydrogen-bonded Turntrans-119-7.3-171.63.30000113.7S480 S557S480-T559 PolarHBondContact O-OG1 3.19Å; S557-T559 PolarHBondContact O-N 3.44Å
560F51Low75.5Confident77 Ų7753.6 Ų53.634%0.33832%0.32SS..  trans-105.30-175.5-115.6-93.4000116.4K376 I378 F399 L401 I554 S557K376-F560 HydrophobicContact CB-CE2 3.78Å; K376-F560 HydrophobicContact CB-CZ 3.93Å; K376-F560 HydrophobicContact CD-CD1 4.32Å; K376-F560 HydrophobicContact CD-CD2 4.26Å; K376-F560 HydrophobicContact CD-CE1 3.95Å; K376-F560 HydrophobicContact CD-CE2 3.88Å; K376-F560 HydrophobicContact CD-CG 4.48Å; K376-F560 HydrophobicContact CD-CZ 3.73Å; K376-F560 HydrophobicContact CG-CD2 4.45Å; K376-F560 HydrophobicContact CG-CE2 3.98Å; K376-F560 HydrophobicContact CG-CZ 4.22Å; K376-F560 PolarHBondContact NZ-OXT 2.89Å; I378-F560 HydrophobicContact CD1-CD2 4.39Å; I378-F560 HydrophobicContact CD1-CE2 3.59Å; I378-F560 HydrophobicContact CD1-CZ 3.81Å; I378-F560 HydrophobicContact CG1-CE2 3.94Å; I378-F560 HydrophobicContact CG1-CZ 4.46Å; F399-F560 HydrophobicContact CB-CE1 4.25Å; F399-F560 HydrophobicContact CD1-CD1 4.14Å; F399-F560 HydrophobicContact CD1-CE1 4.04Å; F399-F560 HydrophobicContact CE1-CD1 4.49Å; F399-F560 HydrophobicContact CG-CE1 4.29Å; L401-F560 HydrophobicContact CD1-CE1 4.45Å; L401-F560 HydrophobicContact CD1-CZ 3.89Å; L401-F560 HydrophobicContact CD2-CE1 4.17Å; L401-F560 HydrophobicContact CD2-CZ 3.68Å; L401-F560 HydrophobicContact CG-CZ 4.34Å; I554-F560 HydrophobicContact CG2-CB 4.03Å; I554-F560 HydrophobicContact CG2-CD1 3.84Å; I554-F560 HydrophobicContact CG2-CD2 3.68Å; I554-F560 HydrophobicContact CG2-CE1 4.22Å; I554-F560 HydrophobicContact CG2-CE2 4.08Å; I554-F560 HydrophobicContact CG2-CG 3.53Å; I554-F560 HydrophobicContact CG2-CZ 4.31Å; I554-F560 WeakPolarHBondContact O-CB 3.43Å; S557-F560 PolarHBondContact O-N 3.1Å

Retrieved 560 of 560 residues in 686.6 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).