A0A087X697_POEFO Loading...

Tumor necrosis factor receptor type 1-associated DEATH domain protein

AlphaFold DB , UniProt , Accession A0A087X697, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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
1M38.8Very low48.8Very low249 Ų249122.9 Ų122.9100%1.22776%0.758SS**  0105.80-77.8-177.5177.500108.6
2A31.3Very low52.6Low99 Ų99115.1 Ų115.182%0.81871%0.71SS**  trans-176.380.5150.100000104.4K4A2-K4 PolarHBondContact O-N 3.42Å
3D35.7Very low55.9Low139 Ų139106.2 Ų106.274%0.74366%0.655SS**  trans-54.3123.5168-164.70000108.1
4K37.5Very low58.8Low208 Ų20898.9 Ų98.990%0.90461%0.61SS**  trans-111.155178.5-138.6-176.7-174.8-1710108.2A2 A6A2-K4 PolarHBondContact O-N 3.42Å; K4-A6 PolarHBondContact O-N 3.27Å; K4-A6 VanDerWaalsContact O-N 3.14Å
5T43.4Very low61.4Low114 Ų11492.5 Ų92.570%0.69957%0.571SS**  trans-67.796.115944.70000109
6A41.2Very low63.7Low94 Ų9488.5 Ų88.578%0.77755%0.546SS*.  trans-179.392.514800000109.1K4K4-A6 PolarHBondContact O-N 3.27Å; K4-A6 VanDerWaalsContact O-N 3.14Å
7D39Very low65.7Low162 Ų16283.4 Ų83.487%0.86651%0.514SS*.  -142.2125122.8-1521.2000108.7G9D7-G9 PolarHBondContact O-N 3.39Å
8G40Very low67.5Low86 Ų8680.3 Ų80.389%0.88749%0.493SS*.  trans-7547.1-179.800000111.9
9G55.4Low69.1Low56 Ų5676.3 Ų76.358%0.57747%0.468SS*.PPolyproline II helixtrans-78.2133.3172.800000110.4D7 W11D7-G9 PolarHBondContact O-N 3.39Å; G9-W11 PolarHBondContact O-N 3.37Å
10S82.5Confident70.5Confident91 Ų9174.5 Ų74.564%0.63645%0.454SS*.PPolyproline II helixtrans-53.4121.8164.81750000108.6T12S10-T12 PolarHBondContact O-N 2.89Å
11W91.8Very high71.6Confident54 Ų5471.8 Ų71.821%0.20544%0.438CS..PPolyproline II helixtrans-59.6129.2175.1-178.395.2000109.4G9 F77 V78 D79 V80 C83 L137 I140 H141G9-W11 PolarHBondContact O-N 3.37Å; W11-F77 HydrophobicContact CH2-CB 3.98Å; W11-F77 HydrophobicContact CZ3-CB 3.56Å; W11-V78 CarbonylContact O-C 3.58Å; W11-V78 VanDerWaalsContact O-O 3.12Å; W11-D79 WeakPolarHBondContact CZ3-O 3.45Å; W11-V80 HydrophobicContact CD2-CB 3.68Å; W11-V80 HydrophobicContact CD2-CG2 4.12Å; W11-V80 HydrophobicContact CE3-CB 3.87Å; W11-V80 VanDerWaalsContact CE3-N 3.29Å; W11-V80 HydrophobicContact CG-CB 3.99Å; W11-V80 HydrophobicContact CG-CG2 4.5Å; W11-V80 HydrophobicContact CZ2-CG2 4.21Å; W11-V80 HydrophobicContact CZ3-CB 4.36Å; W11-C83 HydrophobicContact CH2-CB 3.46Å; W11-C83 VanDerWaalsContact CH2-CB 3.46Å; W11-C83 HydrophobicContact CZ2-CB 4.44Å; W11-C83 HydrophobicContact CZ3-CB 3.81Å; W11-L137 HydrophobicContact CZ2-CD2 4.46Å; W11-I140 HydrophobicContact CH2-CG2 4.2Å; W11-H141 AromaticContact CD1-CE1 3.91Å; W11-H141 AromaticContact CD1-ND1 3.62Å; W11-H141 AromaticContact CE2-ND1 3.98Å; W11-H141 HydrophobicContact CZ2-CB 4.16Å; W11-H141 AromaticContact NE1-CG 3.56Å; W11-H141 AromaticContact NE1-ND1 3.47Å; W11-H141 PolarHBondContact NE1-ND1 3.23Å
12T94.6Very high74.2Confident29 Ų2963.9 Ų63.918%0.17840%0.401CS..  trans-139.5150.7175.953.60000110.6S10 F77 V78 H141 Q144S10-T12 PolarHBondContact O-N 2.89Å; T12-F77 VanDerWaalsContact CA-O 3.28Å; T12-F77 WeakPolarHBondContact CA-O 3.46Å; T12-V78 HydrophobicContact CG2-CG1 4.34Å; T12-H141 PolarHBondContact O-ND1 2.93Å; T12-Q144 PolarHBondContact O-NE2 3.46Å; T12-Q144 PolarHBondContact OG1-OE1 2.69Å
13G95.7Very high77.1Confident0 Ų061.6 Ų61.60%037%0.372CS..EExtended strand (participates in β ladder)trans-162.4166.117300000111.6K76 F77 I140G13-K76 CarbonylContact O-C 3.54Å; G13-K76 WeakPolarHBondContact O-CA 3.34Å; G13-F77 PolarHBondContact N-O 2.94Å; G13-F77 PolarHBondContact O-N 2.91Å; G13-I140 CarbonylContact C-O 3.16Å; G13-I140 WeakPolarHBondContact CA-O 3.43Å
14C96.4Very high79.6Confident4 Ų460.1 Ų60.13%0.02737%0.37CS..EExtended strand (participates in β ladder)trans-131.6138.9-176.3-169.30000110.5E74 V75 I140 S143 P145C14-E74 VanDerWaalsContact SG-CG 3.51Å; C14-V75 WeakPolarHBondContact CA-O 3.49Å; C14-I140 PolarHBondContact N-O 3.08Å; C14-I140 VanDerWaalsContact N-O 3.14Å; C14-S143 WeakPolarHBondContact CA-O 3.26Å; C14-S143 WeakPolarHBondContact CB-O 3.4Å; C14-S143 PolarHBondContact N-O 3.31Å; C14-S143 WeakPolarHBondContact O-CB 3.49Å; C14-S143 PolarHBondContact O-OG 2.81Å; C14-P145 HydrophobicContact CB-CB 4.32Å
15A97.4Very high81.8Confident3 Ų354.5 Ų54.53%0.02537%0.372CS..EExtended strand (participates in β ladder)trans-135.2153.9171.900000110V75 F77 L119 K120 I140A15-V75 PolarHBondContact N-O 3.16Å; A15-V75 PolarHBondContact O-N 3.28Å; A15-F77 HydrophobicContact CB-CE2 4.29Å; A15-L119 HydrophobicContact CB-CD1 4.09Å; A15-K120 CarbonylContact C-O 3.11Å; A15-K120 VanDerWaalsContact CA-O 3.24Å; A15-K120 WeakPolarHBondContact CA-O 3.08Å; A15-K120 WeakPolarHBondContact CB-O 3.01Å; A15-I140 HydrophobicContact CB-CD1 4.2Å; A15-I140 HydrophobicContact CB-CG1 4.17Å
16V97.9Very high84Confident28 Ų2850.2 Ų50.217%0.1735%0.345CS..EExtended strand (participates in β ladder)trans-115.7121.4173.1-171.50000108.8F18 V73 E74 K120V16-F18 HydrophobicContact CB-CE2 3.81Å; V16-F18 HydrophobicContact CB-CZ 4.06Å; V16-F18 HydrophobicContact CG1-CD2 4.18Å; V16-F18 HydrophobicContact CG1-CE1 4.04Å; V16-F18 HydrophobicContact CG1-CE2 3.6Å; V16-F18 HydrophobicContact CG1-CZ 3.53Å; V16-V73 CarbonylContact C-O 3.51Å; V16-V73 WeakPolarHBondContact CA-O 3.25Å; V16-E74 HydrophobicContact CG2-CB 4.41Å; V16-E74 HydrophobicContact CG2-CG 4.26Å; V16-K120 PolarHBondContact N-O 3.46Å; V16-K120 PolarHBondContact O-N 3.05Å
17M98.1Very high86.5Confident1 Ų149.8 Ų49.81%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-98.1119.4172.2-176175.360.300109.1L19 V73 Y90 V95 Q118 L119M17-L19 HydrophobicContact CE-CD1 4.29Å; M17-L19 HydrophobicContact CE-CD2 3.95Å; M17-L19 HydrophobicContact CE-CG 4.43Å; M17-L19 HydrophobicContact CG-CD2 3.78Å; M17-L19 HydrophobicContact CG-CG 4.49Å; M17-L19 HydrophobicContact SD-CD2 3.96Å; M17-V73 HydrophobicContact CB-CB 4.48Å; M17-V73 PolarHBondContact N-O 3.23Å; M17-V73 PolarHBondContact O-N 3.47Å; M17-Y90 HydrophobicContact SD-CE2 4.34Å; M17-V95 HydrophobicContact SD-CG1 4.1Å; M17-Q118 CarbonylContact C-O 3.18Å; M17-Q118 WeakPolarHBondContact CA-O 3.33Å; M17-L119 HydrophobicContact CB-CD1 4.23Å
18F98.3Very high89Confident28 Ų2842.6 Ų42.612%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-96.1127.3178.3-63.7-90.5000109.6V16 A67 F70 T117 Q118 K120V16-F18 HydrophobicContact CB-CE2 3.81Å; V16-F18 HydrophobicContact CB-CZ 4.06Å; V16-F18 HydrophobicContact CG1-CD2 4.18Å; V16-F18 HydrophobicContact CG1-CE1 4.04Å; V16-F18 HydrophobicContact CG1-CE2 3.6Å; V16-F18 HydrophobicContact CG1-CZ 3.53Å; F18-A67 HydrophobicContact CD1-CB 3.92Å; F18-A67 HydrophobicContact CE1-CB 3.79Å; F18-F70 HydrophobicContact CB-CB 3.94Å; F18-F70 HydrophobicContact CB-CD1 3.83Å; F18-F70 HydrophobicContact CB-CG 3.92Å; F18-F70 HydrophobicContact CD1-CB 3.98Å; F18-F70 HydrophobicContact CD1-CG 4.37Å; F18-F70 HydrophobicContact CG-CB 4.46Å; F18-T117 CarbonylContact O-C 3.48Å; F18-T117 VanDerWaalsContact O-CA 3.29Å; F18-T117 WeakPolarHBondContact O-CA 3.23Å; F18-Q118 HydrophobicContact CB-CB 4.17Å; F18-Q118 HydrophobicContact CD2-CG 4.14Å; F18-Q118 PolarHBondContact N-O 2.9Å; F18-Q118 PolarHBondContact O-N 3.39Å; F18-K120 HydrophobicContact CD2-CD 4.36Å; F18-K120 HydrophobicContact CD2-CG 4.25Å; F18-K120 HydrophobicContact CE2-CB 4.06Å; F18-K120 HydrophobicContact CE2-CD 3.66Å; F18-K120 HydrophobicContact CE2-CG 3.79Å; F18-K120 HydrophobicContact CZ-CD 4.32Å
19L98.1Very high91.4Very high5 Ų539 Ų393%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-117.9130.2-176.1-54.5-179.4000110.5M17 L28 I45 F70 L71 V73 L99 V115 T117M17-L19 HydrophobicContact CE-CD1 4.29Å; M17-L19 HydrophobicContact CE-CD2 3.95Å; M17-L19 HydrophobicContact CE-CG 4.43Å; M17-L19 HydrophobicContact CG-CD2 3.78Å; M17-L19 HydrophobicContact CG-CG 4.49Å; M17-L19 HydrophobicContact SD-CD2 3.96Å; L19-L28 HydrophobicContact CB-CD1 3.99Å; L19-I45 HydrophobicContact CD1-CD1 4.36Å; L19-I45 HydrophobicContact CD1-CG1 4.04Å; L19-F70 WeakPolarHBondContact O-CA 3.48Å; L19-L71 HydrophobicContact CB-CB 4.41Å; L19-L71 PolarHBondContact N-O 3.21Å; L19-L71 PolarHBondContact O-N 2.81Å; L19-V73 HydrophobicContact CD1-CG2 3.93Å; L19-V73 HydrophobicContact CG-CG2 4.38Å; L19-L99 HydrophobicContact CD1-CD1 4.42Å; L19-L99 HydrophobicContact CD1-CD2 4.34Å; L19-L99 HydrophobicContact CD2-CD2 3.69Å; L19-V115 HydrophobicContact CB-CG1 4.28Å; L19-V115 HydrophobicContact CD2-CG1 4.39Å; L19-T117 HydrophobicContact CD2-CG2 3.8Å
20Q96.3Very high93.1Very high40 Ų4038.9 Ų38.919%0.18725%0.245CC..EExtended strand (participates in β ladder)trans-135.6124.5174.9177.5-179.140.800110L22 F70 V115 R116Q20-L22 PolarHBondContact O-N 3.18Å; Q20-F70 HydrophobicContact CB-CD1 3.55Å; Q20-F70 HydrophobicContact CB-CE1 3.71Å; Q20-F70 HydrophobicContact CB-CG 4.48Å; Q20-V115 CarbonylContact O-C 3.43Å; Q20-V115 WeakPolarHBondContact O-CA 3.35Å; Q20-V115 WeakPolarHBondContact O-CG1 3.42Å; Q20-R116 HydrophobicContact CB-CB 4.45Å; Q20-R116 PolarHBondContact N-O 2.79Å; Q20-R116 PolarHBondContact O-N 2.98Å
21S94.4Very high93.6Very high18 Ų1837.2 Ų37.213%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-66.9132.1169.31680000109.7F23 V26S21-F23 PolarHBondContact OG-N 2.77Å; S21-F23 VanDerWaalsContact OG-N 3.11Å; S21-F23 PolarHBondContact OG-O 2.74Å; S21-V26 WeakPolarHBondContact CB-O 3.34Å; S21-V26 PolarHBondContact OG-O 3.38Å
22L93.5Very high93.7Very high83 Ų8335.2 Ų35.244%0.43522%0.222SC..  trans-95.5-3.4169.5-57.9-177.7000111.8Q20 T114 R116Q20-L22 PolarHBondContact O-N 3.18Å; L22-T114 HydrophobicContact CD1-CG2 4.24Å; L22-T114 PolarHBondContact N-O 3.05Å; L22-R116 HydrophobicContact CD1-CB 4.16Å; L22-R116 HydrophobicContact CD2-CB 4.02Å; L22-R116 HydrophobicContact CG-CB 4.1Å
23F91.5Very high93.4Very high50 Ų5039.9 Ų39.922%0.21924%0.239CC..SBendtrans-84.2128.5-176.9-167.4-91.1000111S21 G25 V26 P110 F113S21-F23 PolarHBondContact OG-N 2.77Å; S21-F23 VanDerWaalsContact OG-N 3.11Å; S21-F23 PolarHBondContact OG-O 2.74Å; F23-G25 PolarHBondContact O-N 2.68Å; F23-V26 HydrophobicContact CB-CB 4.47Å; F23-V26 HydrophobicContact CD1-CB 4.36Å; F23-V26 HydrophobicContact CD1-CG2 3.71Å; F23-V26 HydrophobicContact CE1-CG2 4.44Å; F23-V26 PolarHBondContact O-N 3.18Å; F23-P110 HydrophobicContact CE1-CG 4.24Å; F23-P110 HydrophobicContact CE2-CB 4.25Å; F23-P110 HydrophobicContact CE2-CG 4.3Å; F23-P110 HydrophobicContact CZ-CB 4.15Å; F23-P110 HydrophobicContact CZ-CG 3.71Å; F23-F113 HydrophobicContact CB-CD2 3.59Å; F23-F113 HydrophobicContact CB-CE2 4.1Å; F23-F113 HydrophobicContact CG-CD2 4.12Å
24P87.8Confident92.9Very high108 Ų10841.5 Ų41.570%0.70126%0.256SS*.THydrogen-bonded Turntrans-57.5133.1-179.3-25.134.1000112.8V26P24-V26 PolarHBondContact O-N 2.92Å
25G84.9Confident92Very high91 Ų9150 Ų5094%0.93830%0.295SS*.THydrogen-bonded Turntrans78.61.1177.600000115.1F23F23-G25 PolarHBondContact O-N 2.68Å
26V90.3Very high91.1Very high24 Ų2458 Ų5815%0.14533%0.332CS..  trans-112.2114.1172.9178.40000109.1S21 F23 P24 L28 L31 L109 F113S21-V26 WeakPolarHBondContact CB-O 3.34Å; S21-V26 PolarHBondContact OG-O 3.38Å; F23-V26 HydrophobicContact CB-CB 4.47Å; F23-V26 HydrophobicContact CD1-CB 4.36Å; F23-V26 HydrophobicContact CD1-CG2 3.71Å; F23-V26 HydrophobicContact CE1-CG2 4.44Å; F23-V26 PolarHBondContact O-N 3.18Å; P24-V26 PolarHBondContact O-N 2.92Å; V26-L28 HydrophobicContact CG1-CD2 4.49Å; V26-L31 HydrophobicContact CG1-CD1 4.02Å; V26-L109 HydrophobicContact CG1-CD1 4.19Å; V26-L109 HydrophobicContact CG1-CD2 4.48Å; V26-L109 HydrophobicContact CG2-CD2 3.73Å; V26-F113 HydrophobicContact CB-CE2 4.38Å; V26-F113 HydrophobicContact CG1-CE2 3.82Å
27D91.8Very high90.7Very high84 Ų8457.2 Ų57.245%0.44933%0.33SS..  trans-114.8112.8174.1177.4-10.9000109.2L29 A30 L31D27-L29 VanDerWaalsContact C-N 3.3Å; D27-L29 PolarHBondContact O-N 3.16Å; D27-L29 WeakPolarHBondContact OD1-CA 3.27Å; D27-L29 WeakPolarHBondContact OD1-CB 3.25Å; D27-L29 PolarHBondContact OD1-N 3.07Å; D27-A30 HydrophobicContact CB-CB 3.8Å; D27-A30 PolarHBondContact O-N 2.86Å; D27-A30 PolarHBondContact OD1-N 3.36Å; D27-A30 VanDerWaalsContact OD1-N 3.08Å; D27-L31 WeakPolarHBondContact O-CB 3.42Å; D27-L31 VanDerWaalsContact O-CG 3.25Å; D27-L31 WeakPolarHBondContact O-CG 3.21Å; D27-L31 PolarHBondContact O-N 3.08Å
28L91.9Very high90.4Very high11 Ų1159.9 Ų59.96%0.05834%0.342CS..Hα-helixtrans-64.8-34.4-179.1-61.6-179.8000112.4L19 V26 Y32 I41 L71 F113 V115L19-L28 HydrophobicContact CB-CD1 3.99Å; V26-L28 HydrophobicContact CG1-CD2 4.49Å; L28-Y32 WeakPolarHBondContact O-CB 3.43Å; L28-Y32 PolarHBondContact O-N 3.24Å; L28-I41 HydrophobicContact CD2-CD1 3.79Å; L28-L71 HydrophobicContact CB-CD2 4.48Å; L28-F113 HydrophobicContact CD2-CZ 4.27Å; L28-V115 HydrophobicContact CD1-CG1 4.21Å; L28-V115 HydrophobicContact CD1-CG2 4.26Å
29L91.8Very high90.2Very high10 Ų1059.3 Ų59.35%0.05234%0.339CS..Hα-helixtrans-70.7-45.2178.6176.562.8000110.4D27 L31 Y32 K33 D66 E68 L71D27-L29 VanDerWaalsContact C-N 3.3Å; D27-L29 PolarHBondContact O-N 3.16Å; D27-L29 WeakPolarHBondContact OD1-CA 3.27Å; D27-L29 WeakPolarHBondContact OD1-CB 3.25Å; D27-L29 PolarHBondContact OD1-N 3.07Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.39Å; L29-Y32 PolarHBondContact O-N 2.92Å; L29-K33 WeakPolarHBondContact O-CG 3.26Å; L29-K33 PolarHBondContact O-N 3.01Å; L29-D66 HydrophobicContact CD1-CB 3.86Å; L29-D66 WeakPolarHBondContact CD2-OD1 3.38Å; L29-E68 HydrophobicContact CD2-CB 4.37Å; L29-L71 HydrophobicContact CD1-CD1 3.98Å
30A90.9Very high89.9Confident54 Ų5461.5 Ų61.545%0.44635%0.35SS..Hα-helixtrans-61.8-41.6174.200000112D27 Y32 K33 G34D27-A30 HydrophobicContact CB-CB 3.8Å; D27-A30 PolarHBondContact O-N 2.86Å; D27-A30 PolarHBondContact OD1-N 3.36Å; D27-A30 VanDerWaalsContact OD1-N 3.08Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; A30-Y32 PolarHBondContact O-N 3.35Å; A30-K33 PolarHBondContact O-N 3.4Å; A30-G34 PolarHBondContact O-N 3.26Å
31L92.3Very high89.9Confident57 Ų5760 Ų6030%0.29834%0.343SS..Hα-helixtrans-61.3-42174.4-74.7172.3000111.8V26 D27 L29 K33 G34 G37 K38 I41 L107V26-L31 HydrophobicContact CG1-CD1 4.02Å; D27-L31 WeakPolarHBondContact O-CB 3.42Å; D27-L31 VanDerWaalsContact O-CG 3.25Å; D27-L31 WeakPolarHBondContact O-CG 3.21Å; D27-L31 PolarHBondContact O-N 3.08Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 3.39Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.99Å; L31-G34 PolarHBondContact O-N 3.42Å; L31-G37 CarbonylContact O-C 3.52Å; L31-G37 VanDerWaalsContact O-CA 3.3Å; L31-G37 WeakPolarHBondContact O-CA 3.14Å; L31-K38 PolarHBondContact O-N 3Å; L31-K38 VanDerWaalsContact O-N 3.13Å; L31-I41 HydrophobicContact CB-CD1 4.12Å; L31-I41 HydrophobicContact CB-CG1 3.93Å; L31-I41 HydrophobicContact CD1-CD1 4.21Å; L31-L107 HydrophobicContact CD1-CD1 4.23Å; L31-L107 HydrophobicContact CD1-CD2 4.29Å
32Y92.9Very high90Very high11 Ų1159.1 Ų59.14%0.04334%0.337CS..Hα-helixtrans-67.5-29.5178-171.7-100.4000112.9L28 L29 A30 G34 K38 I41 V64 L71 E152 L156L28-Y32 WeakPolarHBondContact O-CB 3.43Å; L28-Y32 PolarHBondContact O-N 3.24Å; L29-Y32 PolarHBondContact O-N 2.92Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; A30-Y32 PolarHBondContact O-N 3.35Å; Y32-G34 VanDerWaalsContact C-N 3.33Å; Y32-G34 PolarHBondContact O-N 3.1Å; Y32-K38 HydrophobicContact CD2-CG 4.04Å; Y32-K38 HydrophobicContact CE2-CG 3.75Å; Y32-K38 VanDerWaalsContact O-CB 3.26Å; Y32-K38 WeakPolarHBondContact O-CB 3.5Å; Y32-K38 WeakPolarHBondContact O-CE 3.5Å; Y32-I41 HydrophobicContact CD2-CB 4.13Å; Y32-I41 HydrophobicContact CD2-CG2 3.79Å; Y32-I41 HydrophobicContact CG-CG2 4.48Å; Y32-V64 HydrophobicContact CD1-CG1 3.99Å; Y32-V64 HydrophobicContact CD2-CG1 3.92Å; Y32-V64 HydrophobicContact CE1-CB 4.02Å; Y32-V64 HydrophobicContact CE1-CG1 3.72Å; Y32-V64 HydrophobicContact CE2-CB 3.93Å; Y32-V64 HydrophobicContact CE2-CG1 3.62Å; Y32-V64 HydrophobicContact CE2-CG2 4.47Å; Y32-V64 HydrophobicContact CG-CG1 4.1Å; Y32-L71 HydrophobicContact CD1-CD1 3.95Å; Y32-L71 HydrophobicContact CG-CD1 3.88Å; Y32-L71 HydrophobicContact CG-CD2 4.42Å; Y32-E152 PolarHBondContact OH-OE1 3.3Å; Y32-E152 VanDerWaalsContact OH-OE1 3.13Å; Y32-L156 HydrophobicContact CE2-CD1 4.45Å
33K89.4Confident90.1Very high127 Ų12757.6 Ų57.655%0.55233%0.327SS*.Hα-helixtrans-70.3-25.7175.7-73.6173179.4173.20113.2L29 A30 L31 D66L29-K33 WeakPolarHBondContact O-CG 3.26Å; L29-K33 PolarHBondContact O-N 3.01Å; A30-K33 PolarHBondContact O-N 3.4Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.99Å; K33-D66 VanDerWaalsContact CE-OD2 3.22Å; K33-D66 WeakPolarHBondContact CE-OD2 3.35Å; K33-D66 IonicContact NZ-OD2 2.72Å; K33-D66 PolarHBondContact NZ-OD2 3.09Å
34G85.5Confident90.3Very high34 Ų3455.5 Ų55.535%0.35132%0.319SS..SBendtrans-85141.4178.500000113.6A30 L31 Y32 Q36 G37 K38A30-G34 PolarHBondContact O-N 3.26Å; L31-G34 PolarHBondContact O-N 3.42Å; Y32-G34 VanDerWaalsContact C-N 3.33Å; Y32-G34 PolarHBondContact O-N 3.1Å; G34-Q36 PolarHBondContact O-N 3.28Å; G34-G37 PolarHBondContact O-N 3.06Å; G34-K38 WeakPolarHBondContact O-CB 3.36Å; G34-K38 PolarHBondContact O-N 2.88Å
35E77.5Confident90.8Very high183 Ų18350.5 Ų50.586%0.85529%0.286SS*.Hα-helixtrans-56.6-46.6-174-70.4-168157.700114.5
36Q78.4Confident91.3Very high171 Ų17147.3 Ų47.380%0.79925%0.246SC*.Hα-helixtrans-73.2-39.6178.9-67.1-165.3-4.100112.4G34 I40G34-Q36 PolarHBondContact O-N 3.28Å; Q36-I40 WeakPolarHBondContact O-CG1 3.48Å
37G88.4Confident91.6Very high12 Ų1248.2 Ų48.212%0.12425%0.25CC..Hα-helixtrans-68.6-38.8-179.600000112.4L31 G34 F39 I40 I41L31-G37 CarbonylContact O-C 3.52Å; L31-G37 VanDerWaalsContact O-CA 3.3Å; L31-G37 WeakPolarHBondContact O-CA 3.14Å; G34-G37 PolarHBondContact O-N 3.06Å; G37-F39 PolarHBondContact O-N 3.1Å; G37-I40 PolarHBondContact O-N 3.44Å; G37-I40 VanDerWaalsContact O-N 3.1Å; G37-I41 VanDerWaalsContact O-CG1 3.32Å; G37-I41 WeakPolarHBondContact O-CG1 3.21Å; G37-I41 PolarHBondContact O-N 3.09Å
38K93.6Very high91.8Very high56 Ų5644.2 Ų44.224%0.24323%0.228CC..Hα-helixtrans-49.3-55.3177.1-177.3176.8-69.8-161.90112.8L31 Y32 G34 I40 I41 F42 E152 L156L31-K38 PolarHBondContact O-N 3Å; L31-K38 VanDerWaalsContact O-N 3.13Å; Y32-K38 HydrophobicContact CD2-CG 4.04Å; Y32-K38 HydrophobicContact CE2-CG 3.75Å; Y32-K38 VanDerWaalsContact O-CB 3.26Å; Y32-K38 WeakPolarHBondContact O-CB 3.5Å; Y32-K38 WeakPolarHBondContact O-CE 3.5Å; G34-K38 WeakPolarHBondContact O-CB 3.36Å; G34-K38 PolarHBondContact O-N 2.88Å; K38-I40 VanDerWaalsContact C-N 3.31Å; K38-I40 PolarHBondContact O-N 3.42Å; K38-I41 PolarHBondContact O-N 3.29Å; K38-F42 WeakPolarHBondContact O-CB 3.37Å; K38-F42 PolarHBondContact O-N 2.58Å; K38-E152 WeakPolarHBondContact CD-OE1 3.44Å; K38-E152 WeakPolarHBondContact CE-OE1 3.49Å; K38-E152 IonicContact NZ-OE1 3.89Å; K38-E152 PolarHBondContact NZ-OE1 3.07Å; K38-L156 HydrophobicContact CG-CD1 4.23Å; K38-L156 HydrophobicContact CG-CD2 4.24Å
39F92.8Very high92Very high17 Ų1743.7 Ų43.78%0.07523%0.226CC..Hα-helixtrans-64-38.3-179.2178.1-104.6000112.2G37 K43 L156 Q159 L160 Q163G37-F39 PolarHBondContact O-N 3.1Å; F39-K43 HydrophobicContact CE1-CD 4.18Å; F39-K43 HydrophobicContact CZ-CD 4.41Å; F39-K43 VanDerWaalsContact O-CB 3.29Å; F39-K43 WeakPolarHBondContact O-CB 3.45Å; F39-K43 PolarHBondContact O-N 2.94Å; F39-L156 HydrophobicContact CB-CD2 4.17Å; F39-L156 HydrophobicContact CD2-CD2 3.91Å; F39-Q159 HydrophobicContact CD2-CB 4.11Å; F39-Q159 HydrophobicContact CD2-CG 3.77Å; F39-Q159 HydrophobicContact CE2-CB 3.71Å; F39-Q159 HydrophobicContact CE2-CG 3.42Å; F39-Q159 VanDerWaalsContact CE2-CG 3.42Å; F39-Q159 HydrophobicContact CG-CG 4.5Å; F39-Q159 HydrophobicContact CZ-CG 3.9Å; F39-L160 HydrophobicContact CE2-CB 4.25Å; F39-L160 HydrophobicContact CZ-CD1 4.28Å; F39-Q163 VanDerWaalsContact CE1-CD 3.49Å; F39-Q163 VanDerWaalsContact CE1-OE1 3.3Å; F39-Q163 HydrophobicContact CZ-CG 4.37Å
40I93Very high92.2Very high51 Ų5148.7 Ų48.726%0.26224%0.244SC..Hα-helixtrans-66.5-46178.5-62.3170000110.7Q36 G37 K38 K43 V44 L106 L107Q36-I40 WeakPolarHBondContact O-CG1 3.48Å; G37-I40 PolarHBondContact O-N 3.44Å; G37-I40 VanDerWaalsContact O-N 3.1Å; K38-I40 VanDerWaalsContact C-N 3.31Å; K38-I40 PolarHBondContact O-N 3.42Å; I40-K43 WeakPolarHBondContact O-CB 3.48Å; I40-K43 PolarHBondContact O-N 3.36Å; I40-V44 HydrophobicContact CG2-CG2 4.49Å; I40-V44 WeakPolarHBondContact O-CG2 3.4Å; I40-V44 PolarHBondContact O-N 2.85Å; I40-L106 HydrophobicContact CG2-CB 3.76Å; I40-L107 HydrophobicContact CB-CD2 4.05Å; I40-L107 HydrophobicContact CG2-CD2 3.43Å; I40-L107 VanDerWaalsContact CG2-CD2 3.43Å; I40-L107 HydrophobicContact CG2-CG 3.72Å
41I96.3Very high92.3Very high7 Ų749.9 Ų49.94%0.03624%0.243CC..Hα-helixtrans-60.4-47177.1-68.5-71000110.7L28 L31 Y32 G37 K38 K43 V44 I45 L71 L107L28-I41 HydrophobicContact CD2-CD1 3.79Å; L31-I41 HydrophobicContact CB-CD1 4.12Å; L31-I41 HydrophobicContact CB-CG1 3.93Å; L31-I41 HydrophobicContact CD1-CD1 4.21Å; Y32-I41 HydrophobicContact CD2-CB 4.13Å; Y32-I41 HydrophobicContact CD2-CG2 3.79Å; Y32-I41 HydrophobicContact CG-CG2 4.48Å; G37-I41 VanDerWaalsContact O-CG1 3.32Å; G37-I41 WeakPolarHBondContact O-CG1 3.21Å; G37-I41 PolarHBondContact O-N 3.09Å; K38-I41 PolarHBondContact O-N 3.29Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 3.17Å; I41-V44 WeakPolarHBondContact O-CB 3.37Å; I41-V44 PolarHBondContact O-N 3.4Å; I41-I45 HydrophobicContact CG2-CD1 3.83Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 2.89Å; I41-L71 HydrophobicContact CG2-CD2 3.56Å; I41-L107 HydrophobicContact CD1-CD1 3.83Å
42F96.3Very high92.4Very high0 Ų047.2 Ų47.20%023%0.229CC..Hα-helixtrans-56.9-45.5174.8177.4-97.8000112K38 V44 I45 K46 I61 I153 L156 E157 L160K38-F42 WeakPolarHBondContact O-CB 3.37Å; K38-F42 PolarHBondContact O-N 2.58Å; F42-V44 PolarHBondContact O-N 2.71Å; F42-I45 PolarHBondContact O-N 3.13Å; F42-K46 HydrophobicContact CE1-CB 4.48Å; F42-K46 WeakPolarHBondContact O-CB 3.4Å; F42-K46 PolarHBondContact O-N 2.96Å; F42-I61 HydrophobicContact CD2-CD1 4.39Å; F42-I61 HydrophobicContact CE2-CD1 3.68Å; F42-I61 HydrophobicContact CZ-CD1 4.2Å; F42-I153 HydrophobicContact CD2-CD1 4.37Å; F42-I153 HydrophobicContact CE2-CD1 4.32Å; F42-I153 HydrophobicContact CE2-CG2 3.97Å; F42-I153 HydrophobicContact CZ-CG2 4.45Å; F42-L156 HydrophobicContact CB-CB 4.47Å; F42-L156 HydrophobicContact CB-CD1 3.97Å; F42-L156 HydrophobicContact CB-CD2 4.33Å; F42-L156 HydrophobicContact CD1-CB 3.6Å; F42-L156 HydrophobicContact CD1-CG 4.48Å; F42-L156 HydrophobicContact CD2-CB 4.01Å; F42-L156 HydrophobicContact CD2-CD1 3.88Å; F42-L156 HydrophobicContact CE1-CB 3.74Å; F42-L156 HydrophobicContact CE2-CB 4.15Å; F42-L156 HydrophobicContact CG-CB 3.73Å; F42-L156 HydrophobicContact CG-CD1 3.87Å; F42-L156 HydrophobicContact CG-CD2 4.46Å; F42-L156 HydrophobicContact CG-CG 4.24Å; F42-L156 HydrophobicContact CZ-CB 4.02Å; F42-E157 HydrophobicContact CE1-CG 4.43Å; F42-E157 HydrophobicContact CZ-CG 3.75Å; F42-L160 HydrophobicContact CE1-CB 4.45Å; F42-L160 HydrophobicContact CE1-CD2 4.29Å
43K95.1Very high92.3Very high52 Ų5247 Ų4723%0.22623%0.23CC..Hα-helixtrans-62.4-40.6177.7-174.4171.4-173.8171.60112.3F39 I40 I41 K46 L47 L106 L160F39-K43 HydrophobicContact CE1-CD 4.18Å; F39-K43 HydrophobicContact CZ-CD 4.41Å; F39-K43 VanDerWaalsContact O-CB 3.29Å; F39-K43 WeakPolarHBondContact O-CB 3.45Å; F39-K43 PolarHBondContact O-N 2.94Å; I40-K43 WeakPolarHBondContact O-CB 3.48Å; I40-K43 PolarHBondContact O-N 3.36Å; I41-K43 VanDerWaalsContact C-N 3.31Å; I41-K43 PolarHBondContact O-N 3.17Å; K43-K46 PolarHBondContact O-N 2.66Å; K43-L47 HydrophobicContact CG-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CB 3.42Å; K43-L47 VanDerWaalsContact O-CG 3.3Å; K43-L47 WeakPolarHBondContact O-CG 3Å; K43-L47 PolarHBondContact O-N 3.44Å; K43-L106 HydrophobicContact CB-CD1 4.38Å; K43-L106 HydrophobicContact CD-CD1 4.11Å; K43-L106 HydrophobicContact CG-CD1 3.9Å; K43-L160 HydrophobicContact CB-CD1 4.41Å; K43-L160 HydrophobicContact CD-CD1 3.96Å; K43-L160 HydrophobicContact CG-CD1 3.79Å
44V96.4Very high92.1Very high6 Ų644 Ų444%0.03623%0.234CC..Hα-helixtrans-59.4-48.5173.9166.80000110.6I40 I41 F42 K46 T48 L99 H102 A103 L106I40-V44 HydrophobicContact CG2-CG2 4.49Å; I40-V44 WeakPolarHBondContact O-CG2 3.4Å; I40-V44 PolarHBondContact O-N 2.85Å; I41-V44 WeakPolarHBondContact O-CB 3.37Å; I41-V44 PolarHBondContact O-N 3.4Å; F42-V44 PolarHBondContact O-N 2.71Å; V44-K46 PolarHBondContact O-N 2.76Å; V44-T48 WeakPolarHBondContact O-CB 3.44Å; V44-T48 PolarHBondContact O-N 3.44Å; V44-T48 PolarHBondContact O-OG1 3.06Å; V44-L99 HydrophobicContact CG1-CD1 3.73Å; V44-H102 HydrophobicContact CB-CB 4.5Å; V44-H102 HydrophobicContact CG1-CB 4.11Å; V44-H102 HydrophobicContact CG2-CB 4.38Å; V44-A103 HydrophobicContact CG1-CB 4.13Å; V44-L106 HydrophobicContact CG2-CB 4.07Å; V44-L106 HydrophobicContact CG2-CD1 3.77Å; V44-L106 HydrophobicContact CG2-CG 4.43Å
45I97.7Very high92.1Very high2 Ų243.4 Ų43.41%0.0123%0.228CC..Hα-helixtrans-60.2-48.1177.8-67.1160.7000110.4L19 I41 F42 L47 T48 L49 I61 V64 L71 V73L19-I45 HydrophobicContact CD1-CD1 4.36Å; L19-I45 HydrophobicContact CD1-CG1 4.04Å; I41-I45 HydrophobicContact CG2-CD1 3.83Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 2.89Å; F42-I45 PolarHBondContact O-N 3.13Å; I45-L47 PolarHBondContact O-N 3.21Å; I45-T48 WeakPolarHBondContact O-CB 3.43Å; I45-T48 PolarHBondContact O-N 3.36Å; I45-L49 HydrophobicContact CG2-CD1 3.98Å; I45-L49 HydrophobicContact CG2-CG 4.46Å; I45-L49 WeakPolarHBondContact O-CG 3.39Å; I45-L49 PolarHBondContact O-N 3.29Å; I45-I61 HydrophobicContact CG2-CD1 3.85Å; I45-V64 HydrophobicContact CD1-CG2 4.33Å; I45-L71 HydrophobicContact CD1-CD2 4.28Å; I45-V73 HydrophobicContact CD1-CG2 3.7Å; I45-V73 HydrophobicContact CG1-CG2 4.27Å; I45-V73 HydrophobicContact CG2-CG1 3.74Å; I45-V73 HydrophobicContact CG2-CG2 4.33Å
46K95.9Very high92.2Very high25 Ų2541 Ų4111%0.10922%0.22CC..Hα-helixtrans-64.2-41.8-177-17165.4173.4-167.80112.9F42 K43 V44 R50 Y59 I61 E157 L160F42-K46 HydrophobicContact CE1-CB 4.48Å; F42-K46 WeakPolarHBondContact O-CB 3.4Å; F42-K46 PolarHBondContact O-N 2.96Å; K43-K46 PolarHBondContact O-N 2.66Å; V44-K46 PolarHBondContact O-N 2.76Å; K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.16Å; K46-Y59 HydrophobicContact CD-CE2 4.23Å; K46-I61 HydrophobicContact CD-CD1 4.09Å; K46-E157 VanDerWaalsContact CE-OE1 3.31Å; K46-E157 WeakPolarHBondContact CE-OE1 3.35Å; K46-E157 WeakPolarHBondContact CE-OE2 3.26Å; K46-E157 IonicContact NZ-OE1 3.57Å; K46-E157 PolarHBondContact NZ-OE1 3.37Å; K46-E157 IonicContact NZ-OE2 2.69Å; K46-E157 PolarHBondContact NZ-OE2 3.37Å; K46-L160 HydrophobicContact CB-CD2 3.99Å; K46-L160 HydrophobicContact CG-CD2 3.51Å
47L95.4Very high92.7Very high42 Ų4235 Ų3522%0.2221%0.205CC..Hα-helixtrans-64.1-42.9174.8-70.7173.7000111.4K43 I45 L49 R50 D51 L106K43-L47 HydrophobicContact CG-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CB 3.42Å; K43-L47 VanDerWaalsContact O-CG 3.3Å; K43-L47 WeakPolarHBondContact O-CG 3Å; K43-L47 PolarHBondContact O-N 3.44Å; I45-L47 PolarHBondContact O-N 3.21Å; L47-L49 PolarHBondContact O-N 3.22Å; L47-R50 WeakPolarHBondContact O-CB 3.44Å; L47-R50 PolarHBondContact O-N 3.41Å; L47-D51 VanDerWaalsContact O-CG 3.26Å; L47-D51 PolarHBondContact O-N 3.13Å; L47-L106 HydrophobicContact CD1-CD1 3.95Å
48T96.7Very high92.8Very high0 Ų035.1 Ų35.10%021%0.206CC..Hα-helixtrans-60-46.7177.2-55.20000111.6V44 I45 D51 S52 V95 L99V44-T48 WeakPolarHBondContact O-CB 3.44Å; V44-T48 PolarHBondContact O-N 3.44Å; V44-T48 PolarHBondContact O-OG1 3.06Å; I45-T48 WeakPolarHBondContact O-CB 3.43Å; I45-T48 PolarHBondContact O-N 3.36Å; T48-D51 PolarHBondContact O-N 3.37Å; T48-S52 WeakPolarHBondContact O-CB 3.39Å; T48-S52 PolarHBondContact O-N 3.14Å; T48-S52 PolarHBondContact O-OG 2.85Å; T48-V95 HydrophobicContact CG2-CG1 4.02Å; T48-V95 WeakPolarHBondContact CG2-O 3.45Å; T48-L99 HydrophobicContact CG2-CB 3.97Å; T48-L99 HydrophobicContact CG2-CD1 4.24Å; T48-L99 WeakPolarHBondContact OG1-CA 3.48Å
49L96.8Very high92.8Very high0 Ų032.9 Ų32.90%020%0.196CC..Hα-helixtrans-65.9-37.6177.6-70.2173.6000112I45 L47 D51 S52 A53 Y59 I61 V75 F86I45-L49 HydrophobicContact CG2-CD1 3.98Å; I45-L49 HydrophobicContact CG2-CG 4.46Å; I45-L49 WeakPolarHBondContact O-CG 3.39Å; I45-L49 PolarHBondContact O-N 3.29Å; L47-L49 PolarHBondContact O-N 3.22Å; L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3.47Å; L49-S52 PolarHBondContact O-N 3.11Å; L49-A53 VanDerWaalsContact O-CB 3.22Å; L49-A53 WeakPolarHBondContact O-CB 3.44Å; L49-A53 PolarHBondContact O-N 3.34Å; L49-Y59 HydrophobicContact CB-CD2 4.17Å; L49-Y59 HydrophobicContact CB-CE1 4.35Å; L49-Y59 HydrophobicContact CB-CE2 3.5Å; L49-Y59 VanDerWaalsContact CB-CE2 3.5Å; L49-Y59 HydrophobicContact CD1-CD2 4.06Å; L49-Y59 HydrophobicContact CD1-CE2 3.82Å; L49-Y59 HydrophobicContact CG-CE2 4.28Å; L49-I61 HydrophobicContact CD1-CD1 3.9Å; L49-I61 HydrophobicContact CD1-CG1 3.68Å; L49-V75 HydrophobicContact CD1-CG2 3.97Å; L49-V75 HydrophobicContact CD2-CG2 4.35Å; L49-F86 HydrophobicContact CD2-CD2 4.07Å; L49-F86 HydrophobicContact CD2-CE2 3.77Å
50R94.1Very high92.9Very high116 Ų11634.7 Ų34.744%0.43821%0.205SC..Hα-helixtrans-58.7-46.5174.7175.9-172.3176.2177.5-1.4111.7K46 L47 S52 G54 G55 L56 Y59K46-R50 WeakPolarHBondContact O-CB 3.31Å; K46-R50 PolarHBondContact O-N 3.16Å; L47-R50 WeakPolarHBondContact O-CB 3.44Å; L47-R50 PolarHBondContact O-N 3.41Å; R50-S52 VanDerWaalsContact C-N 3.29Å; R50-S52 PolarHBondContact O-N 3.07Å; R50-G54 PolarHBondContact O-N 2.92Å; R50-G55 WeakPolarHBondContact CA-O 3.2Å; R50-G55 WeakPolarHBondContact CG-O 3.16Å; R50-G55 PolarHBondContact O-N 3.33Å; R50-G55 VanDerWaalsContact O-N 3.07Å; R50-L56 HydrophobicContact CG-CD2 4.22Å; R50-Y59 WeakPolarHBondContact CA-OH 3.28Å; R50-Y59 PolarHBondContact N-OH 3.38Å; R50-Y59 VanDerWaalsContact N-OH 3.13Å
51D93.2Very high93.1Very high78 Ų7832.3 Ų32.342%0.41719%0.193SC..Hα-helixtrans-68.5-33.2-179.2-62.7-20000111.3L47 T48 L49 H102L47-D51 VanDerWaalsContact O-CG 3.26Å; L47-D51 PolarHBondContact O-N 3.13Å; T48-D51 PolarHBondContact O-N 3.37Å; L49-D51 VanDerWaalsContact C-N 3.34Å; L49-D51 PolarHBondContact O-N 3.47Å; D51-H102 IonicContact OD2-CD2 2.82Å; D51-H102 IonicContact OD2-CE1 2.66Å; D51-H102 PolarHBondContact OD2-CE1 3.44Å; D51-H102 IonicContact OD2-NE2 2.89Å; D51-H102 PolarHBondContact OD2-NE2 2.91Å
52S95.3Very high93Very high2 Ų232.1 Ų32.11%0.01419%0.192CC..Hα-helixtrans-87.9-31.5-174-51.30000113.8T48 L49 R50 Q85 F86 S89 V95T48-S52 WeakPolarHBondContact O-CB 3.39Å; T48-S52 PolarHBondContact O-N 3.14Å; T48-S52 PolarHBondContact O-OG 2.85Å; L49-S52 PolarHBondContact O-N 3.11Å; R50-S52 VanDerWaalsContact C-N 3.29Å; R50-S52 PolarHBondContact O-N 3.07Å; S52-Q85 CarbonylContact O-C 3.57Å; S52-Q85 WeakPolarHBondContact O-CG 3.21Å; S52-Q85 VanDerWaalsContact O-O 3.12Å; S52-F86 VanDerWaalsContact O-CA 3.28Å; S52-F86 WeakPolarHBondContact O-CA 3.43Å; S52-F86 PolarHBondContact O-N 3.42Å; S52-S89 PolarHBondContact O-OG 3.44Å; S52-V95 VanDerWaalsContact OG-CG2 3.3Å; S52-V95 WeakPolarHBondContact OG-CG2 3.28Å
53A91.7Very high93Very high7 Ų734.8 Ų34.86%0.05820%0.204CC..THydrogen-bonded Turntrans-94.54.3-179.600000113.1L49 Y59 A82L49-A53 VanDerWaalsContact O-CB 3.22Å; L49-A53 WeakPolarHBondContact O-CB 3.44Å; L49-A53 PolarHBondContact O-N 3.34Å; A53-Y59 HydrophobicContact CB-CD1 3.55Å; A53-Y59 HydrophobicContact CB-CE1 3.78Å; A53-Y59 HydrophobicContact CB-CG 4.5Å; A53-A82 HydrophobicContact CB-CB 4.42Å
54G84Confident93Very high62 Ų6232.6 Ų32.664%0.63920%0.195SC*.THydrogen-bonded Turntrans79.717.8174.800000115.4R50R50-G54 PolarHBondContact O-N 2.92Å
55G85.8Confident92.8Very high23 Ų2334.6 Ų34.624%0.23720%0.203CC..SBendtrans157.4-160177.100000116.4R50R50-G55 WeakPolarHBondContact CA-O 3.2Å; R50-G55 WeakPolarHBondContact CG-O 3.16Å; R50-G55 PolarHBondContact O-N 3.33Å; R50-G55 VanDerWaalsContact O-N 3.07Å
56L79.6Confident92.7Very high131 Ų13138.1 Ų38.169%0.68622%0.222SC*.SBendtrans-89.8-7.3-177.2-65.9173.4000113.8R50R50-L56 HydrophobicContact CG-CD2 4.22Å
57G88.1Confident92.5Very high47 Ų4738 Ų3849%0.48523%0.226SC..SBendtrans-125.3179.7-174.300000112.9Y59G57-Y59 VanDerWaalsContact C-N 3.27Å; G57-Y59 WeakPolarHBondContact O-CD1 2.95Å; G57-Y59 PolarHBondContact O-N 3.44Å
58G91Very high92.2Very high14 Ų1443.7 Ų43.714%0.14425%0.251CS..SBendtrans84.3-8.1177.600000115.1F77 V78 D79G58-F77 WeakPolarHBondContact O-CA 3.46Å; G58-V78 PolarHBondContact O-N 3.02Å; G58-D79 PolarHBondContact O-N 3.02Å
59Y94.6Very high91.8Very high8 Ų847.1 Ų47.13%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-145.6159.217572.1-86000112.7K46 L49 R50 A53 G57 V75 K76K46-Y59 HydrophobicContact CD-CE2 4.23Å; L49-Y59 HydrophobicContact CB-CD2 4.17Å; L49-Y59 HydrophobicContact CB-CE1 4.35Å; L49-Y59 HydrophobicContact CB-CE2 3.5Å; L49-Y59 VanDerWaalsContact CB-CE2 3.5Å; L49-Y59 HydrophobicContact CD1-CD2 4.06Å; L49-Y59 HydrophobicContact CD1-CE2 3.82Å; L49-Y59 HydrophobicContact CG-CE2 4.28Å; R50-Y59 WeakPolarHBondContact CA-OH 3.28Å; R50-Y59 PolarHBondContact N-OH 3.38Å; R50-Y59 VanDerWaalsContact N-OH 3.13Å; A53-Y59 HydrophobicContact CB-CD1 3.55Å; A53-Y59 HydrophobicContact CB-CE1 3.78Å; A53-Y59 HydrophobicContact CB-CG 4.5Å; G57-Y59 VanDerWaalsContact C-N 3.27Å; G57-Y59 WeakPolarHBondContact O-CD1 2.95Å; G57-Y59 PolarHBondContact O-N 3.44Å; Y59-V75 HydrophobicContact CD2-CG1 4.29Å; Y59-K76 CarbonylContact C-O 3.41Å; Y59-K76 WeakPolarHBondContact CA-O 3.36Å
60E94.6Very high91.8Very high56 Ų5649 Ų4926%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-138.6134.1174.3-61.1-178.5-154.600109.4L62 V75 K76 R149E60-L62 PolarHBondContact O-N 2.91Å; E60-V75 WeakPolarHBondContact O-CA 3.28Å; E60-K76 HydrophobicContact CB-CB 4.47Å; E60-K76 PolarHBondContact N-O 3.37Å; E60-K76 PolarHBondContact O-N 3.44Å; E60-R149 VanDerWaalsContact CD-NH2 3.25Å; E60-R149 IonicContact OE2-CZ 2.7Å; E60-R149 IonicContact OE2-NE 3.08Å; E60-R149 IonicContact OE2-NH2 2.7Å; E60-R149 PolarHBondContact OE2-NH2 3.49Å
61I96.5Very high91.9Very high0 Ų043.5 Ų43.50%026%0.261CS..EExtended strand (participates in β ladder)trans-76.6122.8166.1-58.2168.9000106F42 I45 K46 L49 V64 V73 I153F42-I61 HydrophobicContact CD2-CD1 4.39Å; F42-I61 HydrophobicContact CE2-CD1 3.68Å; F42-I61 HydrophobicContact CZ-CD1 4.2Å; I45-I61 HydrophobicContact CG2-CD1 3.85Å; K46-I61 HydrophobicContact CD-CD1 4.09Å; L49-I61 HydrophobicContact CD1-CD1 3.9Å; L49-I61 HydrophobicContact CD1-CG1 3.68Å; I61-V64 HydrophobicContact CG2-CG2 4.03Å; I61-V73 HydrophobicContact CG2-CG1 4.23Å; I61-I153 HydrophobicContact CB-CG2 4.14Å; I61-I153 HydrophobicContact CG2-CD1 4.29Å; I61-I153 HydrophobicContact CG2-CG2 4.13Å; I61-I153 WeakPolarHBondContact O-CG2 3.5Å
62L94.9Very high92.1Very high4 Ų439.8 Ų39.82%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-88.9-42.6177.2-63.5-173.1000111.1E60 E74 K76 P145 R149 D150E60-L62 PolarHBondContact O-N 2.91Å; L62-E74 HydrophobicContact CB-CB 4.42Å; L62-E74 HydrophobicContact CB-CG 4.21Å; L62-E74 HydrophobicContact CD1-CG 4.33Å; L62-E74 PolarHBondContact N-O 2.91Å; L62-K76 HydrophobicContact CD1-CB 3.85Å; L62-K76 HydrophobicContact CD2-CB 3.9Å; L62-K76 HydrophobicContact CD2-CD 4.1Å; L62-K76 HydrophobicContact CG-CB 3.76Å; L62-P145 HydrophobicContact CD1-CB 3.71Å; L62-R149 HydrophobicContact CD2-CB 4.3Å; L62-D150 PolarHBondContact O-N 3.32Å
63K95Very high92.2Very high56 Ų5639.7 Ų39.724%0.24324%0.241CC..EExtended strand (participates in β ladder)trans-156.1145-174.2-175.2174.4-169.2110.10110.9H65 E74 D150K63-H65 HydrophobicContact CD-CB 4.01Å; K63-H65 HydrophobicContact CG-CB 4.04Å; K63-E74 HydrophobicContact CB-CB 4.23Å; K63-E74 PolarHBondContact O-N 3.38Å; K63-D150 VanDerWaalsContact CD-OD2 3.28Å; K63-D150 WeakPolarHBondContact CD-OD2 3.43Å; K63-D150 VanDerWaalsContact CE-OD2 3.29Å; K63-D150 WeakPolarHBondContact CE-OD2 3.49Å; K63-D150 VanDerWaalsContact CG-OD2 3.22Å; K63-D150 WeakPolarHBondContact CG-OD2 3.3Å; K63-D150 IonicContact NZ-OD1 3.87Å; K63-D150 IonicContact NZ-OD2 3.82Å; K63-D150 PolarHBondContact NZ-OD2 3.31Å
64V96.3Very high92.5Very high6 Ų640.5 Ų40.54%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-117120.3161.9178.60000106.8Y32 I45 I61 L71 G72 V73 I153Y32-V64 HydrophobicContact CD1-CG1 3.99Å; Y32-V64 HydrophobicContact CD2-CG1 3.92Å; Y32-V64 HydrophobicContact CE1-CB 4.02Å; Y32-V64 HydrophobicContact CE1-CG1 3.72Å; Y32-V64 HydrophobicContact CE2-CB 3.93Å; Y32-V64 HydrophobicContact CE2-CG1 3.62Å; Y32-V64 HydrophobicContact CE2-CG2 4.47Å; Y32-V64 HydrophobicContact CG-CG1 4.1Å; I45-V64 HydrophobicContact CD1-CG2 4.33Å; I61-V64 HydrophobicContact CG2-CG2 4.03Å; V64-L71 HydrophobicContact CG1-CD1 3.56Å; V64-L71 HydrophobicContact CG1-CD2 3.96Å; V64-L71 HydrophobicContact CG1-CG 3.73Å; V64-G72 CarbonylContact C-O 3.54Å; V64-G72 VanDerWaalsContact CA-O 3.28Å; V64-G72 WeakPolarHBondContact CA-O 3.3Å; V64-V73 HydrophobicContact CG2-CG1 4.34Å; V64-V73 HydrophobicContact CG2-CG2 4.39Å; V64-I153 HydrophobicContact CB-CD1 4.12Å; V64-I153 HydrophobicContact CG2-CD1 3.84Å
65H92.6Very high93.1Very high47 Ų4737.7 Ų37.722%0.21821%0.214CC..EExtended strand (participates in β ladder)trans-133.4160.8-169.861.2-89.6000113.1K63 A67 G72K63-H65 HydrophobicContact CD-CB 4.01Å; K63-H65 HydrophobicContact CG-CB 4.04Å; H65-A67 PolarHBondContact O-N 2.93Å; H65-G72 PolarHBondContact N-O 2.92Å; H65-G72 PolarHBondContact ND1-O 3.13Å; H65-G72 PolarHBondContact O-N 3.36Å
66D94.5Very high93.6Very high76 Ų7639 Ų3941%0.40621%0.213SC..EExtended strand (participates in β ladder)trans-70.7117.5171.6-166.5-26.6000110L29 K33 E68L29-D66 HydrophobicContact CD1-CB 3.86Å; L29-D66 WeakPolarHBondContact CD2-OD1 3.38Å; K33-D66 VanDerWaalsContact CE-OD2 3.22Å; K33-D66 WeakPolarHBondContact CE-OD2 3.35Å; K33-D66 IonicContact NZ-OD2 2.72Å; K33-D66 PolarHBondContact NZ-OD2 3.09Å; D66-E68 PolarHBondContact OD1-N 3.49Å; D66-E68 VanDerWaalsContact OD1-N 3.08Å
67A92.7Very high94.4Very high23 Ų2332.8 Ų32.819%0.1918%0.18CC..EExtended strand (participates in β ladder)trans-131.446.8175.600000109.4F18 H65 F70F18-A67 HydrophobicContact CD1-CB 3.92Å; F18-A67 HydrophobicContact CE1-CB 3.79Å; H65-A67 PolarHBondContact O-N 2.93Å; A67-F70 CarbonylContact C-O 3.53Å; A67-F70 WeakPolarHBondContact CA-O 3.42Å; A67-F70 HydrophobicContact CB-CB 4.33Å; A67-F70 PolarHBondContact N-O 3.14Å; A67-F70 WeakPolarHBondContact O-CA 3.08Å; A67-F70 WeakPolarHBondContact O-CB 3.25Å; A67-F70 PolarHBondContact O-N 2.91Å
68E87.9Confident94.7Very high161 Ų16132.7 Ų32.775%0.75217%0.171SC*.THydrogen-bonded Turntrans-38125.9-172.3-166.5172.5-168.100113.3L29 D66 F70L29-E68 HydrophobicContact CD2-CB 4.37Å; D66-E68 PolarHBondContact OD1-N 3.49Å; D66-E68 VanDerWaalsContact OD1-N 3.08Å; E68-F70 PolarHBondContact N-O 3.2Å
69P89Confident94.8Very high73 Ų7335.5 Ų35.547%0.47418%0.182SC..THydrogen-bonded Turncis-86.812.49.337.6-38.9000115.1
70F95.6Very high94.8Very high39 Ų3938 Ų3817%0.17120%0.198CC..EExtended strand (participates in β ladder)trans-102.1157.7-176.8-57.8-89.4000112.3F18 L19 Q20 A67 E68F18-F70 HydrophobicContact CB-CB 3.94Å; F18-F70 HydrophobicContact CB-CD1 3.83Å; F18-F70 HydrophobicContact CB-CG 3.92Å; F18-F70 HydrophobicContact CD1-CB 3.98Å; F18-F70 HydrophobicContact CD1-CG 4.37Å; F18-F70 HydrophobicContact CG-CB 4.46Å; L19-F70 WeakPolarHBondContact O-CA 3.48Å; Q20-F70 HydrophobicContact CB-CD1 3.55Å; Q20-F70 HydrophobicContact CB-CE1 3.71Å; Q20-F70 HydrophobicContact CB-CG 4.48Å; A67-F70 CarbonylContact C-O 3.53Å; A67-F70 WeakPolarHBondContact CA-O 3.42Å; A67-F70 HydrophobicContact CB-CB 4.33Å; A67-F70 PolarHBondContact N-O 3.14Å; A67-F70 WeakPolarHBondContact O-CA 3.08Å; A67-F70 WeakPolarHBondContact O-CB 3.25Å; A67-F70 PolarHBondContact O-N 2.91Å; E68-F70 PolarHBondContact N-O 3.2Å
71L97.4Very high94.8Very high1 Ų137.9 Ų37.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-92.8115.5157.9-173.969.4000108.2L19 L28 L29 Y32 I41 I45 V64L19-L71 HydrophobicContact CB-CB 4.41Å; L19-L71 PolarHBondContact N-O 3.21Å; L19-L71 PolarHBondContact O-N 2.81Å; L28-L71 HydrophobicContact CB-CD2 4.48Å; L29-L71 HydrophobicContact CD1-CD1 3.98Å; Y32-L71 HydrophobicContact CD1-CD1 3.95Å; Y32-L71 HydrophobicContact CG-CD1 3.88Å; Y32-L71 HydrophobicContact CG-CD2 4.42Å; I41-L71 HydrophobicContact CG2-CD2 3.56Å; I45-L71 HydrophobicContact CD1-CD2 4.28Å; V64-L71 HydrophobicContact CG1-CD1 3.56Å; V64-L71 HydrophobicContact CG1-CD2 3.96Å; V64-L71 HydrophobicContact CG1-CG 3.73Å
72G97.5Very high94.8Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-87.9124.6179.400000111.5V64 H65V64-G72 CarbonylContact C-O 3.54Å; V64-G72 VanDerWaalsContact CA-O 3.28Å; V64-G72 WeakPolarHBondContact CA-O 3.3Å; H65-G72 PolarHBondContact N-O 2.92Å; H65-G72 PolarHBondContact ND1-O 3.13Å; H65-G72 PolarHBondContact O-N 3.36Å
73V97.9Very high94.9Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-112.8107.6176.5-174.90000108.8V16 M17 L19 I45 I61 V64 V75V16-V73 CarbonylContact C-O 3.51Å; V16-V73 WeakPolarHBondContact CA-O 3.25Å; M17-V73 HydrophobicContact CB-CB 4.48Å; M17-V73 PolarHBondContact N-O 3.23Å; M17-V73 PolarHBondContact O-N 3.47Å; L19-V73 HydrophobicContact CD1-CG2 3.93Å; L19-V73 HydrophobicContact CG-CG2 4.38Å; I45-V73 HydrophobicContact CD1-CG2 3.7Å; I45-V73 HydrophobicContact CG1-CG2 4.27Å; I45-V73 HydrophobicContact CG2-CG1 3.74Å; I45-V73 HydrophobicContact CG2-CG2 4.33Å; I61-V73 HydrophobicContact CG2-CG1 4.23Å; V64-V73 HydrophobicContact CG2-CG1 4.34Å; V64-V73 HydrophobicContact CG2-CG2 4.39Å; V73-V75 HydrophobicContact CG1-CG2 3.9Å
74E97Very high95.1Very high23 Ų2338.9 Ų38.911%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-86.4119.3176.8-171173.517700109.8C14 V16 L62 K63C14-E74 VanDerWaalsContact SG-CG 3.51Å; V16-E74 HydrophobicContact CG2-CB 4.41Å; V16-E74 HydrophobicContact CG2-CG 4.26Å; L62-E74 HydrophobicContact CB-CB 4.42Å; L62-E74 HydrophobicContact CB-CG 4.21Å; L62-E74 HydrophobicContact CD1-CG 4.33Å; L62-E74 PolarHBondContact N-O 2.91Å; K63-E74 HydrophobicContact CB-CB 4.23Å; K63-E74 PolarHBondContact O-N 3.38Å
75V97.1Very high95.1Very high3 Ų342.9 Ų42.92%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-120.3121.7-175.9-1740000109.2C14 A15 L49 Y59 E60 V73 F77C14-V75 WeakPolarHBondContact CA-O 3.49Å; A15-V75 PolarHBondContact N-O 3.16Å; A15-V75 PolarHBondContact O-N 3.28Å; L49-V75 HydrophobicContact CD1-CG2 3.97Å; L49-V75 HydrophobicContact CD2-CG2 4.35Å; Y59-V75 HydrophobicContact CD2-CG1 4.29Å; E60-V75 WeakPolarHBondContact O-CA 3.28Å; V73-V75 HydrophobicContact CG1-CG2 3.9Å; V75-F77 HydrophobicContact CB-CE2 4.28Å; V75-F77 HydrophobicContact CG1-CD2 4.4Å; V75-F77 HydrophobicContact CG1-CE1 4.28Å; V75-F77 HydrophobicContact CG1-CE2 3.91Å; V75-F77 HydrophobicContact CG1-CZ 3.84Å
76K96.2Very high95.4Very high50 Ų5040.7 Ų40.722%0.21722%0.221CC..EExtended strand (participates in β ladder)trans-90.7130.2168.6175.9-175.7176.1-164.70109G13 Y59 E60 L62 V78 P145G13-K76 CarbonylContact O-C 3.54Å; G13-K76 WeakPolarHBondContact O-CA 3.34Å; Y59-K76 CarbonylContact C-O 3.41Å; Y59-K76 WeakPolarHBondContact CA-O 3.36Å; E60-K76 HydrophobicContact CB-CB 4.47Å; E60-K76 PolarHBondContact N-O 3.37Å; E60-K76 PolarHBondContact O-N 3.44Å; L62-K76 HydrophobicContact CD1-CB 3.85Å; L62-K76 HydrophobicContact CD2-CB 3.9Å; L62-K76 HydrophobicContact CD2-CD 4.1Å; L62-K76 HydrophobicContact CG-CB 3.76Å; K76-V78 HydrophobicContact CD-CG1 4.23Å; K76-V78 HydrophobicContact CG-CG1 4.24Å; K76-P145 HydrophobicContact CD-CB 4.15Å; K76-P145 HydrophobicContact CD-CG 3.93Å; K76-P145 HydrophobicContact CG-CB 4.26Å; K76-P145 HydrophobicContact CG-CG 4.08Å
77F96Very high95.6Very high1 Ų137.3 Ų37.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-100.3136.6166.8-60.9-89000109.3W11 T12 G13 A15 G58 V75 C83 F86 I140W11-F77 HydrophobicContact CH2-CB 3.98Å; W11-F77 HydrophobicContact CZ3-CB 3.56Å; T12-F77 VanDerWaalsContact CA-O 3.28Å; T12-F77 WeakPolarHBondContact CA-O 3.46Å; G13-F77 PolarHBondContact N-O 2.94Å; G13-F77 PolarHBondContact O-N 2.91Å; A15-F77 HydrophobicContact CB-CE2 4.29Å; G58-F77 WeakPolarHBondContact O-CA 3.46Å; V75-F77 HydrophobicContact CB-CE2 4.28Å; V75-F77 HydrophobicContact CG1-CD2 4.4Å; V75-F77 HydrophobicContact CG1-CE1 4.28Å; V75-F77 HydrophobicContact CG1-CE2 3.91Å; V75-F77 HydrophobicContact CG1-CZ 3.84Å; F77-C83 HydrophobicContact CB-CB 3.94Å; F77-C83 HydrophobicContact CD1-CB 3.77Å; F77-C83 HydrophobicContact CD2-CB 4.37Å; F77-C83 HydrophobicContact CE1-CB 4.37Å; F77-C83 HydrophobicContact CG-CB 3.76Å; F77-F86 HydrophobicContact CE1-CB 3.89Å; F77-F86 HydrophobicContact CE1-CD1 4.22Å; F77-F86 HydrophobicContact CE1-CG 4.04Å; F77-F86 HydrophobicContact CE2-CD1 4.33Å; F77-F86 HydrophobicContact CZ-CB 4.09Å; F77-F86 AromaticContact CZ-CD1 3.53Å; F77-F86 HydrophobicContact CZ-CD1 3.53Å; F77-F86 HydrophobicContact CZ-CD2 4.4Å; F77-F86 HydrophobicContact CZ-CE1 4.05Å; F77-F86 AromaticContact CZ-CG 3.73Å; F77-F86 HydrophobicContact CZ-CG 3.73Å; F77-I140 HydrophobicContact CD2-CG2 4.21Å
78V94.1Very high95.8Very high46 Ų4639.8 Ų39.828%0.27921%0.211SC..SBendtrans-116.3-1.1176.6-64.50000112.1W11 T12 G58 K76W11-V78 CarbonylContact O-C 3.58Å; W11-V78 VanDerWaalsContact O-O 3.12Å; T12-V78 HydrophobicContact CG2-CG1 4.34Å; G58-V78 PolarHBondContact O-N 3.02Å; K76-V78 HydrophobicContact CD-CG1 4.23Å; K76-V78 HydrophobicContact CG-CG1 4.24Å
79D92.9Very high96.3Very high72 Ų7232.9 Ų32.939%0.38518%0.18SC..  trans-137125.4177.7179.93.7000108.7W11 G58 A81 A82 C83W11-D79 WeakPolarHBondContact CZ3-O 3.45Å; G58-D79 PolarHBondContact O-N 3.02Å; D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 2.87Å; D79-A81 WeakPolarHBondContact OD1-CB 3.42Å; D79-A81 PolarHBondContact OD1-N 3.42Å; D79-A82 HydrophobicContact CB-CB 4.07Å; D79-A82 PolarHBondContact O-N 2.91Å; D79-C83 PolarHBondContact O-N 3.11Å; D79-C83 VanDerWaalsContact O-N 3.11Å
80V95.4Very high96.7Very high61 Ų6130.3 Ų30.337%0.3716%0.161SC..Hα-helixtrans-65-33.1179.867.90000111.4W11 C83 Q84 L137W11-V80 HydrophobicContact CD2-CB 3.68Å; W11-V80 HydrophobicContact CD2-CG2 4.12Å; W11-V80 HydrophobicContact CE3-CB 3.87Å; W11-V80 VanDerWaalsContact CE3-N 3.29Å; W11-V80 HydrophobicContact CG-CB 3.99Å; W11-V80 HydrophobicContact CG-CG2 4.5Å; W11-V80 HydrophobicContact CZ2-CG2 4.21Å; W11-V80 HydrophobicContact CZ3-CB 4.36Å; V80-C83 PolarHBondContact O-N 3.46Å; V80-Q84 WeakPolarHBondContact O-CB 3.46Å; V80-Q84 PolarHBondContact O-N 3.33Å; V80-L137 HydrophobicContact CG2-CD2 4.28Å
81A95.3Very high96.8Very high54 Ų5431.4 Ų31.445%0.44617%0.174SC..Hα-helixtrans-67.3-43.6178.800000111.1D79 C83 Q84 Q85D79-A81 VanDerWaalsContact C-N 3.26Å; D79-A81 PolarHBondContact O-N 2.87Å; D79-A81 WeakPolarHBondContact OD1-CB 3.42Å; D79-A81 PolarHBondContact OD1-N 3.42Å; A81-C83 VanDerWaalsContact C-N 3.35Å; A81-C83 PolarHBondContact O-N 2.87Å; A81-Q84 PolarHBondContact O-N 2.87Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.18Å
82A96Very high96.8Very high5 Ų535.4 Ų35.44%0.04120%0.202CC..Hα-helixtrans-63.4-39.9175.100000112.3A53 D79 F86A53-A82 HydrophobicContact CB-CB 4.42Å; D79-A82 HydrophobicContact CB-CB 4.07Å; D79-A82 PolarHBondContact O-N 2.91Å; A82-F86 WeakPolarHBondContact O-CB 3.33Å; A82-F86 PolarHBondContact O-N 3.04Å
83C97.6Very high96.7Very high0 Ų036.6 Ų36.60%021%0.214CC..Hα-helixtrans-64.2-44.2174.7-172.10000112W11 F77 D79 V80 A81 F86 L87 L137W11-C83 HydrophobicContact CH2-CB 3.46Å; W11-C83 VanDerWaalsContact CH2-CB 3.46Å; W11-C83 HydrophobicContact CZ2-CB 4.44Å; W11-C83 HydrophobicContact CZ3-CB 3.81Å; F77-C83 HydrophobicContact CB-CB 3.94Å; F77-C83 HydrophobicContact CD1-CB 3.77Å; F77-C83 HydrophobicContact CD2-CB 4.37Å; F77-C83 HydrophobicContact CE1-CB 4.37Å; F77-C83 HydrophobicContact CG-CB 3.76Å; D79-C83 PolarHBondContact O-N 3.11Å; D79-C83 VanDerWaalsContact O-N 3.11Å; V80-C83 PolarHBondContact O-N 3.46Å; A81-C83 VanDerWaalsContact C-N 3.35Å; A81-C83 PolarHBondContact O-N 2.87Å; C83-F86 PolarHBondContact O-N 2.93Å; C83-L87 WeakPolarHBondContact O-CG 3.35Å; C83-L87 PolarHBondContact O-N 3.26Å; C83-L137 HydrophobicContact CB-CD2 4.03Å
84Q97.3Very high96.6Very high75 Ų7538 Ų3835%0.3523%0.226SC..Hα-helixtrans-60-49.6177-169.8-173.8-39.500111.1V80 A81 F86 L87 E88 L133 L137V80-Q84 WeakPolarHBondContact O-CB 3.46Å; V80-Q84 PolarHBondContact O-N 3.33Å; A81-Q84 PolarHBondContact O-N 2.87Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 2.86Å; Q84-L87 PolarHBondContact O-N 2.9Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; Q84-E88 PolarHBondContact NE2-OE1 3.42Å; Q84-E88 WeakPolarHBondContact O-CG 3.26Å; Q84-E88 PolarHBondContact O-N 3.48Å; Q84-L133 HydrophobicContact CG-CD1 4.08Å; Q84-L133 HydrophobicContact CG-CD2 3.73Å; Q84-L133 HydrophobicContact CG-CG 4.22Å; Q84-L137 HydrophobicContact CB-CD1 4.5Å; Q84-L137 HydrophobicContact CB-CD2 4.42Å; Q84-L137 HydrophobicContact CG-CD1 4.43Å
85Q97.6Very high96.6Very high90 Ų9037 Ų3742%0.42122%0.221SC..Hα-helixtrans-57.6-42.3177.2-169.479.229.400111.6S52 A81 S89S52-Q85 CarbonylContact O-C 3.57Å; S52-Q85 WeakPolarHBondContact O-CG 3.21Å; S52-Q85 VanDerWaalsContact O-O 3.12Å; A81-Q85 WeakPolarHBondContact O-CB 3.34Å; A81-Q85 PolarHBondContact O-N 3.18Å; Q85-S89 WeakPolarHBondContact O-CB 3.43Å; Q85-S89 PolarHBondContact O-N 3.44Å; Q85-S89 PolarHBondContact O-OG 3.25Å
86F98.4Very high96.6Very high2 Ų239.4 Ų39.41%0.00923%0.234CC..Hα-helixtrans-61.9-46.1175.9168.7-97.2000111.8L49 S52 F77 A82 C83 Q84 S89 Y90 V95 L119L49-F86 HydrophobicContact CD2-CD2 4.07Å; L49-F86 HydrophobicContact CD2-CE2 3.77Å; S52-F86 VanDerWaalsContact O-CA 3.28Å; S52-F86 WeakPolarHBondContact O-CA 3.43Å; S52-F86 PolarHBondContact O-N 3.42Å; F77-F86 HydrophobicContact CE1-CB 3.89Å; F77-F86 HydrophobicContact CE1-CD1 4.22Å; F77-F86 HydrophobicContact CE1-CG 4.04Å; F77-F86 HydrophobicContact CE2-CD1 4.33Å; F77-F86 HydrophobicContact CZ-CB 4.09Å; F77-F86 AromaticContact CZ-CD1 3.53Å; F77-F86 HydrophobicContact CZ-CD1 3.53Å; F77-F86 HydrophobicContact CZ-CD2 4.4Å; F77-F86 HydrophobicContact CZ-CE1 4.05Å; F77-F86 AromaticContact CZ-CG 3.73Å; F77-F86 HydrophobicContact CZ-CG 3.73Å; A82-F86 WeakPolarHBondContact O-CB 3.33Å; A82-F86 PolarHBondContact O-N 3.04Å; C83-F86 PolarHBondContact O-N 2.93Å; Q84-F86 VanDerWaalsContact C-N 3.28Å; Q84-F86 PolarHBondContact O-N 2.86Å; F86-S89 CarbonylContact O-C 3.32Å; F86-S89 PolarHBondContact O-N 3.3Å; F86-Y90 HydrophobicContact CZ-CD2 4.04Å; F86-Y90 WeakPolarHBondContact O-CB 3.44Å; F86-Y90 PolarHBondContact O-N 3.48Å; F86-V95 HydrophobicContact CD2-CG2 4.32Å; F86-V95 HydrophobicContact CE2-CG2 4.08Å; F86-L119 HydrophobicContact CE1-CD1 3.94Å; F86-L119 HydrophobicContact CE1-CD2 3.84Å; F86-L119 HydrophobicContact CZ-CD1 4.09Å; F86-L119 HydrophobicContact CZ-CD2 4.47Å
87L98.4Very high96.6Very high4 Ų443.7 Ų43.72%0.02125%0.254CS..Hα-helixtrans-63.7-42179.3-74.4170.6000112.4C83 Q84 S89 Y90 S91 L119 L126 L133 C136 L137 I140C83-L87 WeakPolarHBondContact O-CG 3.35Å; C83-L87 PolarHBondContact O-N 3.26Å; Q84-L87 PolarHBondContact O-N 2.9Å; Q84-L87 VanDerWaalsContact O-N 3.14Å; L87-S89 VanDerWaalsContact C-N 3.34Å; L87-Y90 PolarHBondContact O-N 3.13Å; L87-S91 WeakPolarHBondContact O-CB 3.44Å; L87-S91 PolarHBondContact O-N 3.12Å; L87-S91 PolarHBondContact O-OG 3.16Å; L87-L119 HydrophobicContact CD2-CD2 3.84Å; L87-L126 HydrophobicContact CD2-CD1 4.48Å; L87-L133 HydrophobicContact CB-CD1 3.63Å; L87-L133 HydrophobicContact CD1-CD1 3.81Å; L87-L133 HydrophobicContact CG-CD1 4.39Å; L87-C136 HydrophobicContact CD1-CB 3.68Å; L87-C136 HydrophobicContact CD2-CB 3.98Å; L87-C136 HydrophobicContact CG-CB 4.47Å; L87-L137 HydrophobicContact CD1-CD2 3.77Å; L87-L137 HydrophobicContact CD1-CG 3.88Å; L87-I140 HydrophobicContact CD1-CD1 4.08Å; L87-I140 HydrophobicContact CD2-CD1 3.99Å; L87-I140 HydrophobicContact CG-CD1 4.27Å
88E97.7Very high96.5Very high76 Ų7644.6 Ų44.636%0.35526%0.261SS..Hα-helixtrans-64.1-39.6174.7-69.5171.1-17900111.7Q84 Y90 S91 S92 L133Q84-E88 PolarHBondContact NE2-OE1 3.42Å; Q84-E88 WeakPolarHBondContact O-CG 3.26Å; Q84-E88 PolarHBondContact O-N 3.48Å; E88-Y90 VanDerWaalsContact C-N 3.33Å; E88-S91 PolarHBondContact O-OG 3.3Å; E88-S92 WeakPolarHBondContact O-CB 3.3Å; E88-S92 PolarHBondContact O-N 2.85Å; E88-S92 VanDerWaalsContact O-N 3.12Å; E88-S92 PolarHBondContact O-OG 2.93Å; E88-L133 HydrophobicContact CG-CD1 4.43Å; E88-L133 HydrophobicContact CG-CD2 4.23Å
89S97.6Very high96.7Very high16 Ų1642.7 Ų42.711%0.11225%0.249CC..Hα-helixtrans-68.1-33.9174.3-59.10000112.1S52 Q85 F86 L87 S92 G93 A94 V95S52-S89 PolarHBondContact O-OG 3.44Å; Q85-S89 WeakPolarHBondContact O-CB 3.43Å; Q85-S89 PolarHBondContact O-N 3.44Å; Q85-S89 PolarHBondContact O-OG 3.25Å; F86-S89 CarbonylContact O-C 3.32Å; F86-S89 PolarHBondContact O-N 3.3Å; L87-S89 VanDerWaalsContact C-N 3.34Å; S89-S92 PolarHBondContact O-OG 3.39Å; S89-G93 PolarHBondContact O-N 2.74Å; S89-A94 WeakPolarHBondContact O-CB 3.43Å; S89-A94 PolarHBondContact O-N 3.4Å; S89-V95 PolarHBondContact O-N 3.49Å
90Y98.1Very high96.7Very high18 Ų1840.6 Ų40.67%0.07124%0.238CC..Hα-helixtrans-70.2-48.8177.1-166.8-86.5000110.9M17 F86 L87 E88 S92 G93 V95 T117 Q118 L119 D127 L130M17-Y90 HydrophobicContact SD-CE2 4.34Å; F86-Y90 HydrophobicContact CZ-CD2 4.04Å; F86-Y90 WeakPolarHBondContact O-CB 3.44Å; F86-Y90 PolarHBondContact O-N 3.48Å; L87-Y90 PolarHBondContact O-N 3.13Å; E88-Y90 VanDerWaalsContact C-N 3.33Å; Y90-S92 VanDerWaalsContact C-N 3.33Å; Y90-S92 PolarHBondContact O-N 3.18Å; Y90-G93 PolarHBondContact O-N 3.5Å; Y90-G93 VanDerWaalsContact O-N 3.08Å; Y90-V95 HydrophobicContact CD2-CB 4.09Å; Y90-V95 HydrophobicContact CD2-CG1 3.99Å; Y90-V95 HydrophobicContact CD2-CG2 4.09Å; Y90-V95 HydrophobicContact CE2-CG1 4.44Å; Y90-V95 HydrophobicContact CG-CG2 4.5Å; Y90-T117 VanDerWaalsContact OH-CB 3.31Å; Y90-T117 WeakPolarHBondContact OH-CB 3.45Å; Y90-T117 PolarHBondContact OH-OG1 3.21Å; Y90-T117 VanDerWaalsContact OH-OG1 3.06Å; Y90-Q118 WeakPolarHBondContact OH-CA 3.48Å; Y90-Q118 PolarHBondContact OH-N 3.21Å; Y90-L119 HydrophobicContact CD1-CD2 4.21Å; Y90-L119 HydrophobicContact CD2-CD2 4.38Å; Y90-L119 HydrophobicContact CE1-CB 3.88Å; Y90-L119 HydrophobicContact CE1-CD2 4.4Å; Y90-L119 HydrophobicContact CE2-CB 4.06Å; Y90-L119 HydrophobicContact CG-CD2 4.21Å; Y90-L119 PolarHBondContact OH-N 2.95Å; Y90-D127 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D127 PolarHBondContact OH-OD1 3.34Å; Y90-L130 HydrophobicContact CD1-CD1 3.85Å; Y90-L130 HydrophobicContact CD1-CD2 3.77Å; Y90-L130 HydrophobicContact CD1-CG 4.49Å; Y90-L130 HydrophobicContact CE1-CD1 3.95Å; Y90-L130 HydrophobicContact CE1-CD2 4.24Å
91S97.1Very high96.6Very high62 Ų6243.9 Ų43.943%0.43425%0.249SC..Hα-helixtrans-67-31.6-177.667.50000113.4L87 E88 G93L87-S91 WeakPolarHBondContact O-CB 3.44Å; L87-S91 PolarHBondContact O-N 3.12Å; L87-S91 PolarHBondContact O-OG 3.16Å; E88-S91 PolarHBondContact O-OG 3.3Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 2.91Å
92S96.8Very high96.6Very high86 Ų8642.3 Ų42.360%0.60123%0.233SC*.THydrogen-bonded Turntrans-78.3-7.6173.958.60000114.2E88 S89 Y90 A94E88-S92 WeakPolarHBondContact O-CB 3.3Å; E88-S92 PolarHBondContact O-N 2.85Å; E88-S92 VanDerWaalsContact O-N 3.12Å; E88-S92 PolarHBondContact O-OG 2.93Å; S89-S92 PolarHBondContact O-OG 3.39Å; Y90-S92 VanDerWaalsContact C-N 3.33Å; Y90-S92 PolarHBondContact O-N 3.18Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 3.49Å
93G96.2Very high96.4Very high24 Ų2442.2 Ų42.225%0.24723%0.232CC..THydrogen-bonded Turntrans80.22.6-176.100000114.7S89 Y90 S91 V95 L96 Q97S89-G93 PolarHBondContact O-N 2.74Å; Y90-G93 PolarHBondContact O-N 3.5Å; Y90-G93 VanDerWaalsContact O-N 3.08Å; S91-G93 VanDerWaalsContact C-N 3.27Å; S91-G93 PolarHBondContact O-N 2.91Å; G93-V95 VanDerWaalsContact C-N 3.31Å; G93-V95 PolarHBondContact O-N 2.91Å; G93-L96 PolarHBondContact O-N 3.35Å; G93-Q97 WeakPolarHBondContact O-CG 3.4Å; G93-Q97 PolarHBondContact O-N 3.44Å; G93-Q97 VanDerWaalsContact O-N 3.07Å
94A96.7Very high96.1Very high30 Ų3043.4 Ų43.425%0.24824%0.24CC..Hα-helixtrans-62.8-36.6178.300000112.3S89 S92 L96 Q97 S98S89-A94 WeakPolarHBondContact O-CB 3.43Å; S89-A94 PolarHBondContact O-N 3.4Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 3.49Å; A94-L96 VanDerWaalsContact C-N 3.33Å; A94-L96 PolarHBondContact O-N 3.44Å; A94-Q97 PolarHBondContact O-N 2.87Å; A94-S98 WeakPolarHBondContact O-CB 3.08Å; A94-S98 PolarHBondContact O-N 2.88Å; A94-S98 PolarHBondContact O-OG 2.91Å
95V96.9Very high95.8Very high2 Ų249.3 Ų49.31%0.01226%0.259CS..Hα-helixtrans-56.7-47.9173.6170.50000110.8M17 T48 S52 F86 S89 Y90 G93 S98 L99M17-V95 HydrophobicContact SD-CG1 4.1Å; T48-V95 HydrophobicContact CG2-CG1 4.02Å; T48-V95 WeakPolarHBondContact CG2-O 3.45Å; S52-V95 VanDerWaalsContact OG-CG2 3.3Å; S52-V95 WeakPolarHBondContact OG-CG2 3.28Å; F86-V95 HydrophobicContact CD2-CG2 4.32Å; F86-V95 HydrophobicContact CE2-CG2 4.08Å; S89-V95 PolarHBondContact O-N 3.49Å; Y90-V95 HydrophobicContact CD2-CB 4.09Å; Y90-V95 HydrophobicContact CD2-CG1 3.99Å; Y90-V95 HydrophobicContact CD2-CG2 4.09Å; Y90-V95 HydrophobicContact CE2-CG1 4.44Å; Y90-V95 HydrophobicContact CG-CG2 4.5Å; G93-V95 VanDerWaalsContact C-N 3.31Å; G93-V95 PolarHBondContact O-N 2.91Å; V95-S98 PolarHBondContact O-N 3.16Å; V95-L99 VanDerWaalsContact O-CB 3.26Å; V95-L99 WeakPolarHBondContact O-CB 3.46Å; V95-L99 PolarHBondContact O-N 2.74Å
96L96.4Very high95.4Very high54 Ų5447.4 Ų47.428%0.28325%0.251SS..Hα-helixtrans-65-42.2-179.2175.959.4000111.6G93 A94 L99 N100 V115 T117G93-L96 PolarHBondContact O-N 3.35Å; A94-L96 VanDerWaalsContact C-N 3.33Å; A94-L96 PolarHBondContact O-N 3.44Å; L96-L99 PolarHBondContact O-N 3.49Å; L96-N100 PolarHBondContact O-N 2.98Å; L96-N100 PolarHBondContact O-ND2 2.9Å; L96-V115 HydrophobicContact CD1-CB 4.2Å; L96-V115 WeakPolarHBondContact CD1-O 3.46Å; L96-T117 HydrophobicContact CD1-CG2 4.26Å
97Q95.6Very high94.9Very high139 Ų13948.8 Ų48.865%0.6526%0.258SS*.Hα-helixtrans-61.4-49.9177.4-70.9178.2-5.900111.8G93 A94 L99 N100 Q101G93-Q97 WeakPolarHBondContact O-CG 3.4Å; G93-Q97 PolarHBondContact O-N 3.44Å; G93-Q97 VanDerWaalsContact O-N 3.07Å; A94-Q97 PolarHBondContact O-N 2.87Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.17Å; Q97-N100 PolarHBondContact O-N 3.36Å; Q97-Q101 WeakPolarHBondContact O-CB 3.06Å; Q97-Q101 PolarHBondContact O-N 3.07Å
98S95.4Very high94.4Very high21 Ų2159.6 Ų59.615%0.14730%0.299CS..Hα-helixtrans-60.8-41.9177-65.40000111.5A94 V95 Q101 H102A94-S98 WeakPolarHBondContact O-CB 3.08Å; A94-S98 PolarHBondContact O-N 2.88Å; A94-S98 PolarHBondContact O-OG 2.91Å; V95-S98 PolarHBondContact O-N 3.16Å; S98-Q101 PolarHBondContact O-N 2.98Å; S98-H102 WeakPolarHBondContact O-CB 3.4Å; S98-H102 PolarHBondContact O-CD2 3.13Å; S98-H102 PolarHBondContact O-N 3.39Å
99L96.5Very high93.9Very high5 Ų557.5 Ų57.53%0.02629%0.29CS..Hα-helixtrans-60.2-49.9177.8-171.869.9000111.8L19 V44 T48 V95 L96 Q97 H102 A103 V115 T117L19-L99 HydrophobicContact CD1-CD1 4.42Å; L19-L99 HydrophobicContact CD1-CD2 4.34Å; L19-L99 HydrophobicContact CD2-CD2 3.69Å; V44-L99 HydrophobicContact CG1-CD1 3.73Å; T48-L99 HydrophobicContact CG2-CB 3.97Å; T48-L99 HydrophobicContact CG2-CD1 4.24Å; T48-L99 WeakPolarHBondContact OG1-CA 3.48Å; V95-L99 VanDerWaalsContact O-CB 3.26Å; V95-L99 WeakPolarHBondContact O-CB 3.46Å; V95-L99 PolarHBondContact O-N 2.74Å; L96-L99 PolarHBondContact O-N 3.49Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.17Å; L99-H102 PolarHBondContact O-N 3.36Å; L99-A103 WeakPolarHBondContact O-CB 3.47Å; L99-A103 PolarHBondContact O-N 3.01Å; L99-V115 HydrophobicContact CD2-CB 3.93Å; L99-V115 HydrophobicContact CD2-CG1 3.63Å; L99-V115 HydrophobicContact CD2-CG2 4.17Å; L99-T117 HydrophobicContact CD2-CG2 4.17Å
100N94.1Very high93.3Very high28 Ų2859.5 Ų59.515%0.1530%0.303CS..Hα-helixtrans-61.6-46.1177.6-70-21.5000110.5L96 Q97 H102 A103 C104 V115L96-N100 PolarHBondContact O-N 2.98Å; L96-N100 PolarHBondContact O-ND2 2.9Å; Q97-N100 PolarHBondContact O-N 3.36Å; N100-H102 PolarHBondContact O-N 3.1Å; N100-A103 PolarHBondContact O-N 3.42Å; N100-C104 WeakPolarHBondContact O-CB 3.45Å; N100-C104 PolarHBondContact O-N 2.74Å; N100-C104 PolarHBondContact O-SG 2.98Å; N100-V115 PolarHBondContact OD1-N 3.04Å
101Q93.8Very high92.6Very high131 Ų13168.1 Ų68.161%0.61234%0.344SS*.Hα-helixtrans-59-48.2179.8-176-177.96.100112.4Q97 S98 R105Q97-Q101 WeakPolarHBondContact O-CB 3.06Å; Q97-Q101 PolarHBondContact O-N 3.07Å; S98-Q101 PolarHBondContact O-N 2.98Å; Q101-R105 WeakPolarHBondContact O-CB 3.47Å; Q101-R105 PolarHBondContact O-N 3.18Å; Q101-R105 VanDerWaalsContact O-N 3.1Å
102H94.5Very high92Very high21 Ų2170.4 Ų70.410%0.09735%0.351CS..Hα-helixtrans-67.3-40.9179.4-68.8-46.5000111.6V44 D51 S98 L99 N100 R105 L106V44-H102 HydrophobicContact CB-CB 4.5Å; V44-H102 HydrophobicContact CG1-CB 4.11Å; V44-H102 HydrophobicContact CG2-CB 4.38Å; D51-H102 IonicContact OD2-CD2 2.82Å; D51-H102 IonicContact OD2-CE1 2.66Å; D51-H102 PolarHBondContact OD2-CE1 3.44Å; D51-H102 IonicContact OD2-NE2 2.89Å; D51-H102 PolarHBondContact OD2-NE2 2.91Å; S98-H102 WeakPolarHBondContact O-CB 3.4Å; S98-H102 PolarHBondContact O-CD2 3.13Å; S98-H102 PolarHBondContact O-N 3.39Å; L99-H102 PolarHBondContact O-N 3.36Å; N100-H102 PolarHBondContact O-N 3.1Å; H102-R105 PolarHBondContact O-N 3.07Å; H102-L106 WeakPolarHBondContact O-CB 3.39Å; H102-L106 WeakPolarHBondContact O-CG 3.33Å; H102-L106 PolarHBondContact O-N 3.34Å
103A92Very high91.7Very high3 Ų366.4 Ų66.43%0.02532%0.323CS..Hα-helixtrans-61-51.7175.500000111.6V44 L99 N100 R105 L106 L107 F113V44-A103 HydrophobicContact CG1-CB 4.13Å; L99-A103 WeakPolarHBondContact O-CB 3.47Å; L99-A103 PolarHBondContact O-N 3.01Å; N100-A103 PolarHBondContact O-N 3.42Å; A103-R105 VanDerWaalsContact C-N 3.27Å; A103-R105 PolarHBondContact O-N 2.66Å; A103-L106 PolarHBondContact O-N 3.13Å; A103-L107 HydrophobicContact CB-CD1 4.33Å; A103-L107 VanDerWaalsContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CB 3.29Å; A103-L107 PolarHBondContact O-N 3.09Å; A103-F113 HydrophobicContact CB-CD1 3.94Å; A103-F113 HydrophobicContact CB-CE1 3.39Å; A103-F113 HydrophobicContact CB-CZ 4.21Å
104C90.9Very high91.4Very high24 Ų2468.2 Ų68.216%0.16233%0.329CS..Hα-helixtrans-53.8-46.1177-65.50000111.7N100 R108 L109 P110N100-C104 WeakPolarHBondContact O-CB 3.45Å; N100-C104 PolarHBondContact O-N 2.74Å; N100-C104 PolarHBondContact O-SG 2.98Å; C104-R108 CarbonylContact O-C 3.57Å; C104-R108 WeakPolarHBondContact O-CA 3.35Å; C104-R108 PolarHBondContact O-N 3.05Å; C104-R108 VanDerWaalsContact O-N 3.1Å; C104-L109 PolarHBondContact O-N 3.5Å; C104-P110 PolarHBondContact SG-O 3.42Å
105R91.1Very high91.3Very high199 Ų19967 Ų6775%0.75132%0.319SS*.Hα-helixtrans-66.9-48.2-178.7-176.9179.7177.2-176.71112.9Q101 H102 A103Q101-R105 WeakPolarHBondContact O-CB 3.47Å; Q101-R105 PolarHBondContact O-N 3.18Å; Q101-R105 VanDerWaalsContact O-N 3.1Å; H102-R105 PolarHBondContact O-N 3.07Å; A103-R105 VanDerWaalsContact C-N 3.27Å; A103-R105 PolarHBondContact O-N 2.66Å
106L89.5Confident91.2Very high50 Ų5073.2 Ų73.226%0.26234%0.342SS..Hα-helixtrans-87.2-32-169.2-64.8179000113.2I40 K43 V44 L47 H102 A103I40-L106 HydrophobicContact CG2-CB 3.76Å; K43-L106 HydrophobicContact CB-CD1 4.38Å; K43-L106 HydrophobicContact CD-CD1 4.11Å; K43-L106 HydrophobicContact CG-CD1 3.9Å; V44-L106 HydrophobicContact CG2-CB 4.07Å; V44-L106 HydrophobicContact CG2-CD1 3.77Å; V44-L106 HydrophobicContact CG2-CG 4.43Å; L47-L106 HydrophobicContact CD1-CD1 3.95Å; H102-L106 WeakPolarHBondContact O-CB 3.39Å; H102-L106 WeakPolarHBondContact O-CG 3.33Å; H102-L106 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.13Å
107L87.4Confident91.3Very high31 Ų3172 Ų7216%0.16234%0.337CS..Hα-helixtrans-93.3-1176-65.1164.2000112.6L31 I40 I41 A103 L109L31-L107 HydrophobicContact CD1-CD1 4.23Å; L31-L107 HydrophobicContact CD1-CD2 4.29Å; I40-L107 HydrophobicContact CB-CD2 4.05Å; I40-L107 HydrophobicContact CG2-CD2 3.43Å; I40-L107 VanDerWaalsContact CG2-CD2 3.43Å; I40-L107 HydrophobicContact CG2-CG 3.72Å; I41-L107 HydrophobicContact CD1-CD1 3.83Å; A103-L107 HydrophobicContact CB-CD1 4.33Å; A103-L107 VanDerWaalsContact O-CB 3.28Å; A103-L107 WeakPolarHBondContact O-CB 3.29Å; A103-L107 PolarHBondContact O-N 3.09Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 HydrophobicContact CB-CD1 3.79Å; L107-L109 HydrophobicContact CB-CD2 4.23Å; L107-L109 HydrophobicContact CB-CG 3.61Å; L107-L109 HydrophobicContact CD1-CD1 3.84Å; L107-L109 HydrophobicContact CG-CD1 4.48Å; L107-L109 PolarHBondContact O-N 3.06Å
108R88.7Confident91.4Very high232 Ų23267.3 Ų67.388%0.87532%0.315SS*.THydrogen-bonded Turntrans55.740.3-175.7-55.4179.8-179.4170.4-0.4112.3C104C104-R108 CarbonylContact O-C 3.57Å; C104-R108 WeakPolarHBondContact O-CA 3.35Å; C104-R108 PolarHBondContact O-N 3.05Å; C104-R108 VanDerWaalsContact O-N 3.1Å
109L87.2Confident91.5Very high32 Ų3266.4 Ų66.417%0.16831%0.308CS..  trans-83.8155.9-179.8-56.8172.4000111.2V26 C104 L107 F113V26-L109 HydrophobicContact CG1-CD1 4.19Å; V26-L109 HydrophobicContact CG1-CD2 4.48Å; V26-L109 HydrophobicContact CG2-CD2 3.73Å; C104-L109 PolarHBondContact O-N 3.5Å; L107-L109 VanDerWaalsContact C-N 3.26Å; L107-L109 HydrophobicContact CB-CD1 3.79Å; L107-L109 HydrophobicContact CB-CD2 4.23Å; L107-L109 HydrophobicContact CB-CG 3.61Å; L107-L109 HydrophobicContact CD1-CD1 3.84Å; L107-L109 HydrophobicContact CG-CD1 4.48Å; L107-L109 PolarHBondContact O-N 3.06Å; L109-F113 HydrophobicContact CB-CB 4.07Å; L109-F113 HydrophobicContact CB-CD2 4.34Å; L109-F113 HydrophobicContact CB-CG 4.13Å; L109-F113 HydrophobicContact CD1-CD1 4.06Å; L109-F113 HydrophobicContact CD1-CD2 3.55Å; L109-F113 HydrophobicContact CD1-CE1 4.06Å; L109-F113 HydrophobicContact CD1-CE2 3.57Å; L109-F113 HydrophobicContact CD1-CG 3.8Å; L109-F113 HydrophobicContact CD1-CZ 3.82Å; L109-F113 HydrophobicContact CG-CD2 4.48Å
110P83.9Confident91.6Very high58 Ų5869.2 Ų69.238%0.37732%0.32SS..  trans-56156.2172.9-29.840.1000113.8F23 C104 D112 F113F23-P110 HydrophobicContact CE1-CG 4.24Å; F23-P110 HydrophobicContact CE2-CB 4.25Å; F23-P110 HydrophobicContact CE2-CG 4.3Å; F23-P110 HydrophobicContact CZ-CB 4.15Å; F23-P110 HydrophobicContact CZ-CG 3.71Å; C104-P110 PolarHBondContact SG-O 3.42Å; P110-D112 WeakPolarHBondContact CB-OD1 3.25Å; P110-D112 PolarHBondContact O-N 3.21Å; P110-F113 WeakPolarHBondContact O-CB 3.42Å; P110-F113 PolarHBondContact O-N 3.3Å; P110-F113 VanDerWaalsContact O-N 3.09Å
111Q82.8Confident91.7Very high198 Ų19868 Ų6893%0.92532%0.315SS*.THydrogen-bonded Turntrans-67.8-22.4-178-69.4-172-900114F113Q111-F113 VanDerWaalsContact C-N 3.25Å
112D86.1Confident91.6Very high110 Ų11064 Ų6459%0.58831%0.308SS*.THydrogen-bonded Turntrans-84.53.5174.962.4-30.5000113P110 T114P110-D112 WeakPolarHBondContact CB-OD1 3.25Å; P110-D112 PolarHBondContact O-N 3.21Å; D112-T114 PolarHBondContact O-N 3.27Å; D112-T114 PolarHBondContact O-OG1 2.9Å
113F89.7Confident91.5Very high3 Ų368.9 Ų68.91%0.01334%0.342CS..  trans-55.9128.5171.5174.4-101.3000111F23 V26 L28 A103 L109 P110 Q111 V115F23-F113 HydrophobicContact CB-CD2 3.59Å; F23-F113 HydrophobicContact CB-CE2 4.1Å; F23-F113 HydrophobicContact CG-CD2 4.12Å; V26-F113 HydrophobicContact CB-CE2 4.38Å; V26-F113 HydrophobicContact CG1-CE2 3.82Å; L28-F113 HydrophobicContact CD2-CZ 4.27Å; A103-F113 HydrophobicContact CB-CD1 3.94Å; A103-F113 HydrophobicContact CB-CE1 3.39Å; A103-F113 HydrophobicContact CB-CZ 4.21Å; L109-F113 HydrophobicContact CB-CB 4.07Å; L109-F113 HydrophobicContact CB-CD2 4.34Å; L109-F113 HydrophobicContact CB-CG 4.13Å; L109-F113 HydrophobicContact CD1-CD1 4.06Å; L109-F113 HydrophobicContact CD1-CD2 3.55Å; L109-F113 HydrophobicContact CD1-CE1 4.06Å; L109-F113 HydrophobicContact CD1-CE2 3.57Å; L109-F113 HydrophobicContact CD1-CG 3.8Å; L109-F113 HydrophobicContact CD1-CZ 3.82Å; L109-F113 HydrophobicContact CG-CD2 4.48Å; P110-F113 WeakPolarHBondContact O-CB 3.42Å; P110-F113 PolarHBondContact O-N 3.3Å; P110-F113 VanDerWaalsContact O-N 3.09Å; Q111-F113 VanDerWaalsContact C-N 3.25Å; F113-V115 HydrophobicContact CD1-CG2 4.43Å; F113-V115 HydrophobicContact CE1-CG2 3.36Å; F113-V115 HydrophobicContact CE2-CG2 4.42Å; F113-V115 HydrophobicContact CZ-CG2 3.36Å
114T91.1Very high91.7Very high62 Ų6273.3 Ų73.338%0.3836%0.362SS..  trans-135.2134.4-177.1-57.70000110.3L22 D112L22-T114 HydrophobicContact CD1-CG2 4.24Å; L22-T114 PolarHBondContact N-O 3.05Å; D112-T114 PolarHBondContact O-N 3.27Å; D112-T114 PolarHBondContact O-OG1 2.9Å
115V93.6Very high92Very high4 Ų474.1 Ų74.12%0.02436%0.364CS..EExtended strand (participates in β ladder)trans-104.8145.9171.5-179.40000110.1L19 Q20 L28 L96 L99 N100 F113 T117L19-V115 HydrophobicContact CB-CG1 4.28Å; L19-V115 HydrophobicContact CD2-CG1 4.39Å; Q20-V115 CarbonylContact O-C 3.43Å; Q20-V115 WeakPolarHBondContact O-CA 3.35Å; Q20-V115 WeakPolarHBondContact O-CG1 3.42Å; L28-V115 HydrophobicContact CD1-CG1 4.21Å; L28-V115 HydrophobicContact CD1-CG2 4.26Å; L96-V115 HydrophobicContact CD1-CB 4.2Å; L96-V115 WeakPolarHBondContact CD1-O 3.46Å; L99-V115 HydrophobicContact CD2-CB 3.93Å; L99-V115 HydrophobicContact CD2-CG1 3.63Å; L99-V115 HydrophobicContact CD2-CG2 4.17Å; N100-V115 PolarHBondContact OD1-N 3.04Å; F113-V115 HydrophobicContact CD1-CG2 4.43Å; F113-V115 HydrophobicContact CE1-CG2 3.36Å; F113-V115 HydrophobicContact CE2-CG2 4.42Å; F113-V115 HydrophobicContact CZ-CG2 3.36Å; V115-T117 HydrophobicContact CG1-CG2 4.47Å
116R95.4Very high92.4Very high132 Ų13264.6 Ų64.650%0.49833%0.329SS..EExtended strand (participates in β ladder)trans-95.2133.7161.5178.4-178.2-70157.9-6.2108.9Q20 L22Q20-R116 HydrophobicContact CB-CB 4.45Å; Q20-R116 PolarHBondContact N-O 2.79Å; Q20-R116 PolarHBondContact O-N 2.98Å; L22-R116 HydrophobicContact CD1-CB 4.16Å; L22-R116 HydrophobicContact CD2-CB 4.02Å; L22-R116 HydrophobicContact CG-CB 4.1Å
117T97.1Very high92.7Very high30 Ų3064.6 Ų64.618%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-110.8149.1173.158.90000110.5F18 L19 Y90 L96 L99 V115F18-T117 CarbonylContact O-C 3.48Å; F18-T117 VanDerWaalsContact O-CA 3.29Å; F18-T117 WeakPolarHBondContact O-CA 3.23Å; L19-T117 HydrophobicContact CD2-CG2 3.8Å; Y90-T117 VanDerWaalsContact OH-CB 3.31Å; Y90-T117 WeakPolarHBondContact OH-CB 3.45Å; Y90-T117 PolarHBondContact OH-OG1 3.21Å; Y90-T117 VanDerWaalsContact OH-OG1 3.06Å; L96-T117 HydrophobicContact CD1-CG2 4.26Å; L99-T117 HydrophobicContact CD2-CG2 4.17Å; V115-T117 HydrophobicContact CG1-CG2 4.47Å
118Q97.9Very high93.2Very high40 Ų4069.9 Ų69.919%0.18736%0.357CS..EExtended strand (participates in β ladder)trans-138.9136.8164.3158.2169.562.400109M17 F18 Y90 K120 N125 D127M17-Q118 CarbonylContact C-O 3.18Å; M17-Q118 WeakPolarHBondContact CA-O 3.33Å; F18-Q118 HydrophobicContact CB-CB 4.17Å; F18-Q118 HydrophobicContact CD2-CG 4.14Å; F18-Q118 PolarHBondContact N-O 2.9Å; F18-Q118 PolarHBondContact O-N 3.39Å; Y90-Q118 WeakPolarHBondContact OH-CA 3.48Å; Y90-Q118 PolarHBondContact OH-N 3.21Å; Q118-K120 HydrophobicContact CG-CG 4.22Å; Q118-N125 PolarHBondContact NE2-ND2 2.85Å; Q118-N125 VanDerWaalsContact NE2-ND2 3.13Å; Q118-D127 WeakPolarHBondContact CA-OD2 3.34Å; Q118-D127 WeakPolarHBondContact CB-OD2 3.23Å; Q118-D127 WeakPolarHBondContact CG-OD2 3.42Å
119L98.4Very high93.6Very high2 Ų259.8 Ų59.81%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-114.7127.5-178.8-172.267000111.8A15 M17 F86 L87 Y90 N125 L126 D127A15-L119 HydrophobicContact CB-CD1 4.09Å; M17-L119 HydrophobicContact CB-CD1 4.23Å; F86-L119 HydrophobicContact CE1-CD1 3.94Å; F86-L119 HydrophobicContact CE1-CD2 3.84Å; F86-L119 HydrophobicContact CZ-CD1 4.09Å; F86-L119 HydrophobicContact CZ-CD2 4.47Å; L87-L119 HydrophobicContact CD2-CD2 3.84Å; Y90-L119 HydrophobicContact CD1-CD2 4.21Å; Y90-L119 HydrophobicContact CD2-CD2 4.38Å; Y90-L119 HydrophobicContact CE1-CB 3.88Å; Y90-L119 HydrophobicContact CE1-CD2 4.4Å; Y90-L119 HydrophobicContact CE2-CB 4.06Å; Y90-L119 HydrophobicContact CG-CD2 4.21Å; Y90-L119 PolarHBondContact OH-N 2.95Å; L119-N125 PolarHBondContact O-OD1 3.41Å; L119-L126 HydrophobicContact CB-CB 4.38Å; L119-L126 HydrophobicContact CD2-CB 4.19Å; L119-L126 HydrophobicContact CD2-CD1 3.94Å; L119-L126 HydrophobicContact CG-CB 4.21Å; L119-L126 HydrophobicContact CG-CD1 4.02Å; L119-L126 HydrophobicContact CG-CG 4.46Å; L119-L126 PolarHBondContact O-N 3.1Å; L119-D127 PolarHBondContact N-OD1 3.5Å; L119-D127 PolarHBondContact N-OD2 3.46Å
120K98.2Very high93.9Very high64 Ų6460.3 Ų60.328%0.27832%0.324SS..EExtended strand (participates in β ladder)trans-129151.9177.2-57.8-171.1-175.51680112.6A15 V16 F18 Q118 Q124A15-K120 CarbonylContact C-O 3.11Å; A15-K120 VanDerWaalsContact CA-O 3.24Å; A15-K120 WeakPolarHBondContact CA-O 3.08Å; A15-K120 WeakPolarHBondContact CB-O 3.01Å; V16-K120 PolarHBondContact N-O 3.46Å; V16-K120 PolarHBondContact O-N 3.05Å; F18-K120 HydrophobicContact CD2-CD 4.36Å; F18-K120 HydrophobicContact CD2-CG 4.25Å; F18-K120 HydrophobicContact CE2-CB 4.06Å; F18-K120 HydrophobicContact CE2-CD 3.66Å; F18-K120 HydrophobicContact CE2-CG 3.79Å; F18-K120 HydrophobicContact CZ-CD 4.32Å; Q118-K120 HydrophobicContact CG-CG 4.22Å; K120-Q124 CarbonylContact C-O 3.53Å; K120-Q124 WeakPolarHBondContact CA-O 3.14Å; K120-Q124 WeakPolarHBondContact CB-O 3.26Å
121A97.1Very high94.4Very high3 Ų363.9 Ų63.93%0.02534%0.34CS..EExtended strand (participates in β ladder)trans-128.1110165.600000108.7Q124 L126 N139 I140A121-Q124 PolarHBondContact N-O 3.36Å; A121-Q124 WeakPolarHBondContact O-CB 3.32Å; A121-Q124 PolarHBondContact O-N 2.93Å; A121-L126 HydrophobicContact CB-CD1 4.04Å; A121-L126 HydrophobicContact CB-CD2 4.16Å; A121-L126 HydrophobicContact CB-CG 4.27Å; A121-N139 HydrophobicContact CB-CB 4.24Å; A121-I140 HydrophobicContact CB-CG1 3.9Å
122G91.4Very high95.1Very high47 Ų4759.1 Ų59.149%0.48532%0.317SS..THydrogen-bonded Turntrans51.9-125-167.700000111.6Q124 S143G122-Q124 VanDerWaalsContact C-N 3.3Å; G122-Q124 PolarHBondContact O-N 2.91Å; G122-S143 PolarHBondContact N-OG 3.21Å; G122-S143 VanDerWaalsContact N-OG 3.16Å
123P92.1Very high95.6Very high122 Ų12256.3 Ų56.379%0.79230%0.302SS*.THydrogen-bonded Turntrans-78-10.6178.533.1-35.2000114
124Q96.8Very high95.9Very high96 Ų9659.8 Ų59.845%0.44933%0.332SS..EExtended strand (participates in β ladder)trans-85.9130.1-172.6-57.7-58.2-25.900111.3K120 A121 G122 L126K120-Q124 CarbonylContact C-O 3.53Å; K120-Q124 WeakPolarHBondContact CA-O 3.14Å; K120-Q124 WeakPolarHBondContact CB-O 3.26Å; A121-Q124 PolarHBondContact N-O 3.36Å; A121-Q124 WeakPolarHBondContact O-CB 3.32Å; A121-Q124 PolarHBondContact O-N 2.93Å; G122-Q124 VanDerWaalsContact C-N 3.3Å; G122-Q124 PolarHBondContact O-N 2.91Å; Q124-L126 HydrophobicContact CB-CD2 4.31Å
125N97.4Very high96.2Very high41 Ų4159.2 Ų59.222%0.21933%0.328CS..EExtended strand (participates in β ladder)trans-88.1107.1168.8-175.72.1000109.5Q118 L119 D127 L128Q118-N125 PolarHBondContact NE2-ND2 2.85Å; Q118-N125 VanDerWaalsContact NE2-ND2 3.13Å; L119-N125 PolarHBondContact O-OD1 3.41Å; N125-D127 PolarHBondContact O-N 2.89Å; N125-D127 VanDerWaalsContact OD1-CB 3.31Å; N125-D127 WeakPolarHBondContact OD1-CB 3.35Å; N125-D127 VanDerWaalsContact OD1-CG 3.29Å; N125-D127 PolarHBondContact OD1-N 2.91Å; N125-D127 VanDerWaalsContact OD1-N 3.15Å; N125-D127 PolarHBondContact OD1-OD2 3.01Å; N125-D127 VanDerWaalsContact OD1-OD2 3.13Å; N125-L128 HydrophobicContact CB-CD1 4.11Å; N125-L128 HydrophobicContact CB-CG 4.23Å; N125-L128 PolarHBondContact O-N 3.46Å
126L98.1Very high96.4Very high0 Ų059.1 Ų59.10%033%0.327CS..G310 helixtrans-72.2-21.1-175.8-57.1-170.1000112.4L87 L119 A121 Q124 L128 C129 L130 N139 I140L87-L126 HydrophobicContact CD2-CD1 4.48Å; L119-L126 HydrophobicContact CB-CB 4.38Å; L119-L126 HydrophobicContact CD2-CB 4.19Å; L119-L126 HydrophobicContact CD2-CD1 3.94Å; L119-L126 HydrophobicContact CG-CB 4.21Å; L119-L126 HydrophobicContact CG-CD1 4.02Å; L119-L126 HydrophobicContact CG-CG 4.46Å; L119-L126 PolarHBondContact O-N 3.1Å; A121-L126 HydrophobicContact CB-CD1 4.04Å; A121-L126 HydrophobicContact CB-CD2 4.16Å; A121-L126 HydrophobicContact CB-CG 4.27Å; Q124-L126 HydrophobicContact CB-CD2 4.31Å; L126-L128 PolarHBondContact O-N 3.34Å; L126-C129 PolarHBondContact O-N 3.26Å; L126-L130 WeakPolarHBondContact O-CD2 3.39Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 2.88Å; L126-N139 HydrophobicContact CD2-CB 3.79Å; L126-I140 HydrophobicContact CD1-CD1 3.74Å; L126-I140 HydrophobicContact CD1-CG1 3.65Å
127D97.5Very high96.5Very high50 Ų5054 Ų5427%0.26731%0.31SS..G310 helixtrans-57.3-23.5175.6-56.5-28.6000112.3Y90 Q118 L119 N125Y90-D127 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D127 PolarHBondContact OH-OD1 3.34Å; Q118-D127 WeakPolarHBondContact CA-OD2 3.34Å; Q118-D127 WeakPolarHBondContact CB-OD2 3.23Å; Q118-D127 WeakPolarHBondContact CG-OD2 3.42Å; L119-D127 PolarHBondContact N-OD1 3.5Å; L119-D127 PolarHBondContact N-OD2 3.46Å; N125-D127 PolarHBondContact O-N 2.89Å; N125-D127 VanDerWaalsContact OD1-CB 3.31Å; N125-D127 WeakPolarHBondContact OD1-CB 3.35Å; N125-D127 VanDerWaalsContact OD1-CG 3.29Å; N125-D127 PolarHBondContact OD1-N 2.91Å; N125-D127 VanDerWaalsContact OD1-N 3.15Å; N125-D127 PolarHBondContact OD1-OD2 3.01Å; N125-D127 VanDerWaalsContact OD1-OD2 3.13Å
128L97.2Very high96.5Very high142 Ų14258.2 Ų58.274%0.74333%0.327SS*.G310 helixtrans-82.5-9-179.2-57.6178.9000113.9N125 L126N125-L128 HydrophobicContact CB-CD1 4.11Å; N125-L128 HydrophobicContact CB-CG 4.23Å; N125-L128 PolarHBondContact O-N 3.46Å; L126-L128 PolarHBondContact O-N 3.34Å
129C95.9Very high96.5Very high19 Ų1957.7 Ų57.713%0.12833%0.326CS..SBendtrans-144.128.6-176.160.70000113.6L126 D131 Q132 C136L126-C129 PolarHBondContact O-N 3.26Å; C129-D131 PolarHBondContact O-N 2.88Å; C129-D131 VanDerWaalsContact O-N 3.13Å; C129-Q132 WeakPolarHBondContact O-CA 3.32Å; C129-Q132 PolarHBondContact O-N 2.83Å; C129-C136 PolarHBondContact O-SG 3.48Å
130L94.8Very high96.4Very high44 Ų4457.6 Ų57.623%0.2333%0.326CS..THydrogen-bonded Turntrans-60.6-20.3179.9-67.5175.4000114Y90 L126 Q132Y90-L130 HydrophobicContact CD1-CD1 3.85Å; Y90-L130 HydrophobicContact CD1-CD2 3.77Å; Y90-L130 HydrophobicContact CD1-CG 4.49Å; Y90-L130 HydrophobicContact CE1-CD1 3.95Å; Y90-L130 HydrophobicContact CE1-CD2 4.24Å; L126-L130 WeakPolarHBondContact O-CD2 3.39Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 2.88Å; L130-Q132 VanDerWaalsContact C-N 3.26Å
131D95.1Very high96.3Very high133 Ų13358.1 Ų58.171%0.71133%0.329SS*.THydrogen-bonded Turntrans-73.6-16.7172.863.9-45.4000112.9C129C129-D131 PolarHBondContact O-N 2.88Å; C129-D131 VanDerWaalsContact O-N 3.13Å
132Q96.5Very high96.2Very high97 Ų9763.8 Ų63.845%0.45336%0.358SS..  trans-111.770.1-176.9-65.6171.757.600110.9C129 L130 A134 V135 C136C129-Q132 WeakPolarHBondContact O-CA 3.32Å; C129-Q132 PolarHBondContact O-N 2.83Å; L130-Q132 VanDerWaalsContact C-N 3.26Å; Q132-A134 VanDerWaalsContact C-N 3.27Å; Q132-A134 PolarHBondContact O-N 2.96Å; Q132-A134 VanDerWaalsContact O-N 3.11Å; Q132-V135 HydrophobicContact CB-CB 3.99Å; Q132-V135 HydrophobicContact CB-CG2 3.94Å; Q132-V135 WeakPolarHBondContact O-CA 3.37Å; Q132-V135 WeakPolarHBondContact O-CB 3.13Å; Q132-V135 PolarHBondContact O-N 3.07Å; Q132-C136 PolarHBondContact O-N 3.39Å; Q132-C136 VanDerWaalsContact O-N 3.1Å
133L96.3Very high96.3Very high51 Ų5162.8 Ų62.827%0.26734%0.344SS..Hα-helixtrans-47.3-43.8-176.7-17860.6000114.2Q84 L87 E88 V135 C136 L137Q84-L133 HydrophobicContact CG-CD1 4.08Å; Q84-L133 HydrophobicContact CG-CD2 3.73Å; Q84-L133 HydrophobicContact CG-CG 4.22Å; L87-L133 HydrophobicContact CB-CD1 3.63Å; L87-L133 HydrophobicContact CD1-CD1 3.81Å; L87-L133 HydrophobicContact CG-CD1 4.39Å; E88-L133 HydrophobicContact CG-CD1 4.43Å; E88-L133 HydrophobicContact CG-CD2 4.23Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 PolarHBondContact O-N 3.45Å; L133-C136 PolarHBondContact O-N 2.72Å; L133-L137 HydrophobicContact CD1-CD1 4.47Å; L133-L137 HydrophobicContact CD1-CG 4.48Å; L133-L137 HydrophobicContact CG-CD1 4.22Å; L133-L137 WeakPolarHBondContact O-CG 3.03Å; L133-L137 PolarHBondContact O-N 2.76Å
134A96.6Very high96.1Very high77 Ų7761.1 Ų61.164%0.63633%0.325SS*.Hα-helixtrans-62.9-37.2178.600000112.9Q132 Q138Q132-A134 VanDerWaalsContact C-N 3.27Å; Q132-A134 PolarHBondContact O-N 2.96Å; Q132-A134 VanDerWaalsContact O-N 3.11Å; A134-Q138 WeakPolarHBondContact O-CB 3.03Å; A134-Q138 PolarHBondContact O-N 3.13Å
135V97.3Very high95.2Very high50 Ų5058 Ų5830%0.30331%0.314SS..Hα-helixtrans-70.1-41.9177.3177.40000110.2Q132 L133 Q138 N139Q132-V135 HydrophobicContact CB-CB 3.99Å; Q132-V135 HydrophobicContact CB-CG2 3.94Å; Q132-V135 WeakPolarHBondContact O-CA 3.37Å; Q132-V135 WeakPolarHBondContact O-CB 3.13Å; Q132-V135 PolarHBondContact O-N 3.07Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 PolarHBondContact O-N 3.45Å; V135-Q138 PolarHBondContact O-N 2.86Å; V135-N139 WeakPolarHBondContact O-CB 3.22Å; V135-N139 PolarHBondContact O-N 2.81Å; V135-N139 PolarHBondContact O-ND2 3.46Å
136C98Very high94.2Very high1 Ų164.4 Ų64.41%0.00734%0.342CS..Hα-helixtrans-59.9-48.6173.8-64.80000111.8L87 C129 Q132 L133 Q138 N139 I140L87-C136 HydrophobicContact CD1-CB 3.68Å; L87-C136 HydrophobicContact CD2-CB 3.98Å; L87-C136 HydrophobicContact CG-CB 4.47Å; C129-C136 PolarHBondContact O-SG 3.48Å; Q132-C136 PolarHBondContact O-N 3.39Å; Q132-C136 VanDerWaalsContact O-N 3.1Å; L133-C136 PolarHBondContact O-N 2.72Å; C136-Q138 VanDerWaalsContact C-N 3.31Å; C136-Q138 PolarHBondContact O-N 3.49Å; C136-N139 PolarHBondContact O-N 2.98Å; C136-I140 WeakPolarHBondContact O-CG1 3.3Å; C136-I140 PolarHBondContact O-N 3.35Å
137L97.4Very high93.1Very high25 Ų2571.4 Ų71.413%0.13137%0.369CS..Hα-helixtrans-58.8-42.4177.4-74.9171.1000111.8W11 V80 C83 Q84 L87 L133 I140 H141W11-L137 HydrophobicContact CZ2-CD2 4.46Å; V80-L137 HydrophobicContact CG2-CD2 4.28Å; C83-L137 HydrophobicContact CB-CD2 4.03Å; Q84-L137 HydrophobicContact CB-CD1 4.5Å; Q84-L137 HydrophobicContact CB-CD2 4.42Å; Q84-L137 HydrophobicContact CG-CD1 4.43Å; L87-L137 HydrophobicContact CD1-CD2 3.77Å; L87-L137 HydrophobicContact CD1-CG 3.88Å; L133-L137 HydrophobicContact CD1-CD1 4.47Å; L133-L137 HydrophobicContact CD1-CG 4.48Å; L133-L137 HydrophobicContact CG-CD1 4.22Å; L133-L137 WeakPolarHBondContact O-CG 3.03Å; L133-L137 PolarHBondContact O-N 2.76Å; L137-I140 PolarHBondContact O-N 3.34Å; L137-H141 VanDerWaalsContact O-CB 3.32Å; L137-H141 WeakPolarHBondContact O-CB 3.18Å; L137-H141 PolarHBondContact O-N 3.36Å
138Q96.6Very high92.4Very high118 Ų11876.5 Ų76.555%0.55140%0.395SS*.Hα-helixtrans-63.7-46.4176.4-173.7177.521.600111.7A134 V135 C136 I140 H141 L142A134-Q138 WeakPolarHBondContact O-CB 3.03Å; A134-Q138 PolarHBondContact O-N 3.13Å; V135-Q138 PolarHBondContact O-N 2.86Å; C136-Q138 VanDerWaalsContact C-N 3.31Å; C136-Q138 PolarHBondContact O-N 3.49Å; Q138-I140 VanDerWaalsContact C-N 3.34Å; Q138-I140 PolarHBondContact O-N 2.73Å; Q138-H141 PolarHBondContact O-N 3.22Å; Q138-L142 HydrophobicContact CG-CD1 4.13Å; Q138-L142 HydrophobicContact CG-CG 4.45Å; Q138-L142 VanDerWaalsContact O-CG 3.31Å; Q138-L142 WeakPolarHBondContact O-CG 3.44Å; Q138-L142 PolarHBondContact O-N 2.93Å
139N97.5Very high91.9Very high30 Ų3073.2 Ų73.216%0.1637%0.373CS..Hα-helixtrans-61.7-41.6178.2-75.3-34.7000112A121 L126 V135 C136 L142 S143A121-N139 HydrophobicContact CB-CB 4.24Å; L126-N139 HydrophobicContact CD2-CB 3.79Å; V135-N139 WeakPolarHBondContact O-CB 3.22Å; V135-N139 PolarHBondContact O-N 2.81Å; V135-N139 PolarHBondContact O-ND2 3.46Å; C136-N139 PolarHBondContact O-N 2.98Å; N139-L142 PolarHBondContact O-N 3.45Å; N139-S143 WeakPolarHBondContact O-CB 3.38Å; N139-S143 PolarHBondContact O-N 2.9Å
140I97.2Very high91.7Very high0 Ų074.4 Ų74.40%038%0.378CS..Hα-helixtrans-63.6-43174.8-69.5176.3000110.9W11 G13 C14 A15 F77 L87 A121 L126 C136 L137 Q138 S143W11-I140 HydrophobicContact CH2-CG2 4.2Å; G13-I140 CarbonylContact C-O 3.16Å; G13-I140 WeakPolarHBondContact CA-O 3.43Å; C14-I140 PolarHBondContact N-O 3.08Å; C14-I140 VanDerWaalsContact N-O 3.14Å; A15-I140 HydrophobicContact CB-CD1 4.2Å; A15-I140 HydrophobicContact CB-CG1 4.17Å; F77-I140 HydrophobicContact CD2-CG2 4.21Å; L87-I140 HydrophobicContact CD1-CD1 4.08Å; L87-I140 HydrophobicContact CD2-CD1 3.99Å; L87-I140 HydrophobicContact CG-CD1 4.27Å; A121-I140 HydrophobicContact CB-CG1 3.9Å; L126-I140 HydrophobicContact CD1-CD1 3.74Å; L126-I140 HydrophobicContact CD1-CG1 3.65Å; C136-I140 WeakPolarHBondContact O-CG1 3.3Å; C136-I140 PolarHBondContact O-N 3.35Å; L137-I140 PolarHBondContact O-N 3.34Å; Q138-I140 VanDerWaalsContact C-N 3.34Å; Q138-I140 PolarHBondContact O-N 2.73Å; I140-S143 CarbonylContact O-C 3.6Å; I140-S143 PolarHBondContact O-N 2.83Å
141H95.5Very high91.4Very high75 Ų7579.6 Ų79.635%0.34740%0.401SS..Hα-helixtrans-66.2-36.7178.3-175.553.2000112.7W11 T12 L137 Q138 S143 Q144W11-H141 AromaticContact CD1-CE1 3.91Å; W11-H141 AromaticContact CD1-ND1 3.62Å; W11-H141 AromaticContact CE2-ND1 3.98Å; W11-H141 HydrophobicContact CZ2-CB 4.16Å; W11-H141 AromaticContact NE1-CG 3.56Å; W11-H141 AromaticContact NE1-ND1 3.47Å; W11-H141 PolarHBondContact NE1-ND1 3.23Å; T12-H141 PolarHBondContact O-ND1 2.93Å; L137-H141 VanDerWaalsContact O-CB 3.32Å; L137-H141 WeakPolarHBondContact O-CB 3.18Å; L137-H141 PolarHBondContact O-N 3.36Å; Q138-H141 PolarHBondContact O-N 3.22Å; H141-S143 VanDerWaalsContact C-N 3.29Å; H141-Q144 PolarHBondContact O-NE2 3.01Å
142L95.1Very high91.3Very high122 Ų12276.4 Ų76.464%0.63938%0.382SS*.Hα-helixtrans-69.2-30.2174.9-70.1173.1000112.2Q138 N139 Q144Q138-L142 HydrophobicContact CG-CD1 4.13Å; Q138-L142 HydrophobicContact CG-CG 4.45Å; Q138-L142 VanDerWaalsContact O-CG 3.31Å; Q138-L142 WeakPolarHBondContact O-CG 3.44Å; Q138-L142 PolarHBondContact O-N 2.93Å; N139-L142 PolarHBondContact O-N 3.45Å; L142-Q144 PolarHBondContact O-N 2.86Å; L142-Q144 VanDerWaalsContact O-N 3.09Å
143S93.4Very high91.2Very high26 Ų2671.9 Ų71.918%0.18236%0.36CS..SBendtrans-79.481.2173.4-176.60000110C14 G122 N139 I140 H141C14-S143 WeakPolarHBondContact CA-O 3.26Å; C14-S143 WeakPolarHBondContact CB-O 3.4Å; C14-S143 PolarHBondContact N-O 3.31Å; C14-S143 WeakPolarHBondContact O-CB 3.49Å; C14-S143 PolarHBondContact O-OG 2.81Å; G122-S143 PolarHBondContact N-OG 3.21Å; G122-S143 VanDerWaalsContact N-OG 3.16Å; N139-S143 WeakPolarHBondContact O-CB 3.38Å; N139-S143 PolarHBondContact O-N 2.9Å; I140-S143 CarbonylContact O-C 3.6Å; I140-S143 PolarHBondContact O-N 2.83Å; H141-S143 VanDerWaalsContact C-N 3.29Å
144Q87.2Confident90.9Very high86 Ų8672.2 Ų72.240%0.40236%0.362SS..  trans-71.1147.1178.5-70.7-64.1-3500111.9T12 H141 L142 E146T12-Q144 PolarHBondContact O-NE2 3.46Å; T12-Q144 PolarHBondContact OG1-OE1 2.69Å; H141-Q144 PolarHBondContact O-NE2 3.01Å; L142-Q144 PolarHBondContact O-N 2.86Å; L142-Q144 VanDerWaalsContact O-N 3.09Å; Q144-E146 PolarHBondContact O-N 3.47Å; Q144-E146 VanDerWaalsContact O-N 3.14Å
145P79.1Confident90.7Very high32 Ų3274.3 Ų74.321%0.20836%0.359CS..  trans-69.1110.517628.7-32.5000109.9C14 L62 K76 R147C14-P145 HydrophobicContact CB-CB 4.32Å; L62-P145 HydrophobicContact CD1-CB 3.71Å; K76-P145 HydrophobicContact CD-CB 4.15Å; K76-P145 HydrophobicContact CD-CG 3.93Å; K76-P145 HydrophobicContact CG-CB 4.26Å; K76-P145 HydrophobicContact CG-CG 4.08Å; P145-R147 VanDerWaalsContact C-N 3.26Å; P145-R147 PolarHBondContact O-N 2.94Å
146E75.5Confident90.6Very high175 Ų17572.3 Ų72.382%0.81835%0.347SS*.  trans-79.9-9.7-179.1-64.1-177.2169.100113Q144Q144-E146 PolarHBondContact O-N 3.47Å; Q144-E146 VanDerWaalsContact O-N 3.14Å
147R75.1Confident90.3Very high147 Ų14773.9 Ų73.956%0.55535%0.354SS*.SBendtrans-131.7150.2-170.4-54.9-179.6-148.1-140.92.8111.5P145P145-R147 VanDerWaalsContact C-N 3.26Å; P145-R147 PolarHBondContact O-N 2.94Å
148L82.8Confident90Very high157 Ų15779 Ų7982%0.82238%0.377SS*.PPolyproline II helixtrans-71162.2163.8-65.5176.5000109.5D150L148-D150 PolarHBondContact O-N 3.08Å
149R87.9Confident89.7Confident73 Ų7377.3 Ų77.328%0.27537%0.369SS..PPolyproline II helixtrans-59135.8171.6-177-171.5-65.1165.18.1110.1E60 L62 I153 D154E60-R149 VanDerWaalsContact CD-NH2 3.25Å; E60-R149 IonicContact OE2-CZ 2.7Å; E60-R149 IonicContact OE2-NE 3.08Å; E60-R149 IonicContact OE2-NH2 2.7Å; E60-R149 PolarHBondContact OE2-NH2 3.49Å; L62-R149 HydrophobicContact CD2-CB 4.3Å; R149-I153 HydrophobicContact CG-CB 3.9Å; R149-I153 HydrophobicContact CG-CG2 3.94Å; R149-D154 WeakPolarHBondContact CD-OD1 3.45Å; R149-D154 IonicContact CZ-OD1 3.48Å; R149-D154 IonicContact NE-OD1 3.21Å; R149-D154 IonicContact NH1-OD1 3.97Å; R149-D154 PolarHBondContact NH1-OD1 3.49Å
150D90.4Very high89.3Confident43 Ų4377 Ų7723%0.2337%0.367CS..PPolyproline II helixtrans-69.7143.2177.7-80.43.8000111.1L62 K63 L148 E152 I153 D154L62-D150 PolarHBondContact O-N 3.32Å; K63-D150 VanDerWaalsContact CD-OD2 3.28Å; K63-D150 WeakPolarHBondContact CD-OD2 3.43Å; K63-D150 VanDerWaalsContact CE-OD2 3.29Å; K63-D150 WeakPolarHBondContact CE-OD2 3.49Å; K63-D150 VanDerWaalsContact CG-OD2 3.22Å; K63-D150 WeakPolarHBondContact CG-OD2 3.3Å; K63-D150 IonicContact NZ-OD1 3.87Å; K63-D150 IonicContact NZ-OD2 3.82Å; K63-D150 PolarHBondContact NZ-OD2 3.31Å; L148-D150 PolarHBondContact O-N 3.08Å; D150-E152 PolarHBondContact O-N 3.42Å; D150-E152 VanDerWaalsContact O-N 3.16Å; D150-I153 HydrophobicContact CB-CG1 4.3Å; D150-I153 WeakPolarHBondContact O-CB 3.47Å; D150-I153 PolarHBondContact O-N 3.2Å; D150-D154 PolarHBondContact O-N 3.36Å; D150-D154 VanDerWaalsContact O-N 3.17Å
151E89.9Confident88.8Confident154 Ų15482.3 Ų82.372%0.7239%0.392SS*.Hα-helixtrans-54.8-37.7179.6-64.2-175.2164.900112I153 D154 H155E151-I153 VanDerWaalsContact C-N 3.29Å; E151-I153 PolarHBondContact O-N 2.69Å; E151-D154 WeakPolarHBondContact O-CB 3.47Å; E151-D154 PolarHBondContact O-N 3.24Å; E151-H155 PolarHBondContact O-N 2.8Å; E151-H155 PolarHBondContact O-ND1 3.38Å
152E91.2Very high88.2Confident66 Ų6682.5 Ų82.531%0.30840%0.402SS..Hα-helixtrans-57.6-42.3176.3-180176.3-171.300112.1Y32 K38 D150 H155 L156Y32-E152 PolarHBondContact OH-OE1 3.3Å; Y32-E152 VanDerWaalsContact OH-OE1 3.13Å; K38-E152 WeakPolarHBondContact CD-OE1 3.44Å; K38-E152 WeakPolarHBondContact CE-OE1 3.49Å; K38-E152 IonicContact NZ-OE1 3.89Å; K38-E152 PolarHBondContact NZ-OE1 3.07Å; D150-E152 PolarHBondContact O-N 3.42Å; D150-E152 VanDerWaalsContact O-N 3.16Å; E152-H155 PolarHBondContact O-N 2.95Å; E152-L156 HydrophobicContact CG-CD1 4.12Å; E152-L156 VanDerWaalsContact O-CG 3.26Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 2.89Å; E152-L156 VanDerWaalsContact O-N 3.09Å
153I94.8Very high87.5Confident1 Ų181.2 Ų81.21%0.00539%0.392CS..Hα-helixtrans-68.5-38.4178.1-57.8-55.5000110.6F42 I61 V64 R149 D150 E151 H155 L156 E157F42-I153 HydrophobicContact CD2-CD1 4.37Å; F42-I153 HydrophobicContact CE2-CD1 4.32Å; F42-I153 HydrophobicContact CE2-CG2 3.97Å; F42-I153 HydrophobicContact CZ-CG2 4.45Å; I61-I153 HydrophobicContact CB-CG2 4.14Å; I61-I153 HydrophobicContact CG2-CD1 4.29Å; I61-I153 HydrophobicContact CG2-CG2 4.13Å; I61-I153 WeakPolarHBondContact O-CG2 3.5Å; V64-I153 HydrophobicContact CB-CD1 4.12Å; V64-I153 HydrophobicContact CG2-CD1 3.84Å; R149-I153 HydrophobicContact CG-CB 3.9Å; R149-I153 HydrophobicContact CG-CG2 3.94Å; D150-I153 HydrophobicContact CB-CG1 4.3Å; D150-I153 WeakPolarHBondContact O-CB 3.47Å; D150-I153 PolarHBondContact O-N 3.2Å; E151-I153 VanDerWaalsContact C-N 3.29Å; E151-I153 PolarHBondContact O-N 2.69Å; I153-H155 PolarHBondContact O-N 3.01Å; I153-L156 HydrophobicContact CD1-CD1 4.28Å; I153-L156 PolarHBondContact O-N 3.47Å; I153-E157 HydrophobicContact CG2-CG 4.31Å; I153-E157 WeakPolarHBondContact O-CG 3.47Å; I153-E157 PolarHBondContact O-N 3.45Å
154D91.2Very high86.2Confident58 Ų5883.7 Ų83.731%0.3142%0.415SS..Hα-helixtrans-60.7-42.8174.6-84-36.4000112.7R149 D150 E151 L156 E157 Q158R149-D154 WeakPolarHBondContact CD-OD1 3.45Å; R149-D154 IonicContact CZ-OD1 3.48Å; R149-D154 IonicContact NE-OD1 3.21Å; R149-D154 IonicContact NH1-OD1 3.97Å; R149-D154 PolarHBondContact NH1-OD1 3.49Å; D150-D154 PolarHBondContact O-N 3.36Å; D150-D154 VanDerWaalsContact O-N 3.17Å; E151-D154 WeakPolarHBondContact O-CB 3.47Å; E151-D154 PolarHBondContact O-N 3.24Å; D154-L156 VanDerWaalsContact C-N 3.32Å; D154-L156 PolarHBondContact O-N 3.46Å; D154-E157 PolarHBondContact O-N 3.23Å; D154-Q158 WeakPolarHBondContact O-CB 3.45Å; D154-Q158 VanDerWaalsContact O-CG 3.29Å; D154-Q158 WeakPolarHBondContact O-CG 3.42Å; D154-Q158 PolarHBondContact O-N 2.96Å
155H92.8Very high84.4Confident121 Ų12185.2 Ų85.256%0.5643%0.425SS*.Hα-helixtrans-62.4-41.4175.2-69.592.2000111.6E151 E152 I153 Q158 Q159E151-H155 PolarHBondContact O-N 2.8Å; E151-H155 PolarHBondContact O-ND1 3.38Å; E152-H155 PolarHBondContact O-N 2.95Å; I153-H155 PolarHBondContact O-N 3.01Å; H155-Q158 PolarHBondContact O-N 2.94Å; H155-Q159 WeakPolarHBondContact O-CB 3.43Å; H155-Q159 PolarHBondContact O-N 3.14Å
156L93.6Very high82.6Confident9 Ų985.6 Ų85.65%0.04744%0.435CS..Hα-helixtrans-67.7-40.1179.2-70.4169.1000112.7Y32 K38 F39 F42 E152 I153 D154 Q159 L160Y32-L156 HydrophobicContact CE2-CD1 4.45Å; K38-L156 HydrophobicContact CG-CD1 4.23Å; K38-L156 HydrophobicContact CG-CD2 4.24Å; F39-L156 HydrophobicContact CB-CD2 4.17Å; F39-L156 HydrophobicContact CD2-CD2 3.91Å; F42-L156 HydrophobicContact CB-CB 4.47Å; F42-L156 HydrophobicContact CB-CD1 3.97Å; F42-L156 HydrophobicContact CB-CD2 4.33Å; F42-L156 HydrophobicContact CD1-CB 3.6Å; F42-L156 HydrophobicContact CD1-CG 4.48Å; F42-L156 HydrophobicContact CD2-CB 4.01Å; F42-L156 HydrophobicContact CD2-CD1 3.88Å; F42-L156 HydrophobicContact CE1-CB 3.74Å; F42-L156 HydrophobicContact CE2-CB 4.15Å; F42-L156 HydrophobicContact CG-CB 3.73Å; F42-L156 HydrophobicContact CG-CD1 3.87Å; F42-L156 HydrophobicContact CG-CD2 4.46Å; F42-L156 HydrophobicContact CG-CG 4.24Å; F42-L156 HydrophobicContact CZ-CB 4.02Å; E152-L156 HydrophobicContact CG-CD1 4.12Å; E152-L156 VanDerWaalsContact O-CG 3.26Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 2.89Å; E152-L156 VanDerWaalsContact O-N 3.09Å; I153-L156 HydrophobicContact CD1-CD1 4.28Å; I153-L156 PolarHBondContact O-N 3.47Å; D154-L156 VanDerWaalsContact C-N 3.32Å; D154-L156 PolarHBondContact O-N 3.46Å; L156-Q159 PolarHBondContact O-N 3.03Å; L156-L160 WeakPolarHBondContact O-CB 3.4Å; L156-L160 PolarHBondContact O-N 3.26Å
157E92.6Very high80.8Confident33 Ų3383.6 Ų83.615%0.15444%0.437CS..Hα-helixtrans-62.8-45172.7-73.6-73.1-173.300111.2F42 K46 I153 D154 Q159 L160 Q161F42-E157 HydrophobicContact CE1-CG 4.43Å; F42-E157 HydrophobicContact CZ-CG 3.75Å; K46-E157 VanDerWaalsContact CE-OE1 3.31Å; K46-E157 WeakPolarHBondContact CE-OE1 3.35Å; K46-E157 WeakPolarHBondContact CE-OE2 3.26Å; K46-E157 IonicContact NZ-OE1 3.57Å; K46-E157 PolarHBondContact NZ-OE1 3.37Å; K46-E157 IonicContact NZ-OE2 2.69Å; K46-E157 PolarHBondContact NZ-OE2 3.37Å; I153-E157 HydrophobicContact CG2-CG 4.31Å; I153-E157 WeakPolarHBondContact O-CG 3.47Å; I153-E157 PolarHBondContact O-N 3.45Å; D154-E157 PolarHBondContact O-N 3.23Å; E157-Q159 PolarHBondContact O-N 3.43Å; E157-L160 PolarHBondContact O-N 3.09Å; E157-Q161 WeakPolarHBondContact O-CB 3.47Å; E157-Q161 PolarHBondContact O-N 3.41Å
158Q91.4Very high78.8Confident132 Ų13280.7 Ų80.762%0.61744%0.444SS*.Hα-helixtrans-61.4-43.9176-73.1176.220.100111.8D154 H155 L160 Q161 S162D154-Q158 WeakPolarHBondContact O-CB 3.45Å; D154-Q158 VanDerWaalsContact O-CG 3.29Å; D154-Q158 WeakPolarHBondContact O-CG 3.42Å; D154-Q158 PolarHBondContact O-N 2.96Å; H155-Q158 PolarHBondContact O-N 2.94Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.2Å; Q158-Q161 PolarHBondContact O-N 2.93Å; Q158-S162 PolarHBondContact O-N 3.47Å
159Q89.9Confident76.4Confident83 Ų8379.4 Ų79.439%0.38845%0.446SS..Hα-helixtrans-61.7-43.3176.2-173.4177.8-28.600111.1F39 H155 L156 E157 S162 Q163F39-Q159 HydrophobicContact CD2-CB 4.11Å; F39-Q159 HydrophobicContact CD2-CG 3.77Å; F39-Q159 HydrophobicContact CE2-CB 3.71Å; F39-Q159 HydrophobicContact CE2-CG 3.42Å; F39-Q159 VanDerWaalsContact CE2-CG 3.42Å; F39-Q159 HydrophobicContact CG-CG 4.5Å; F39-Q159 HydrophobicContact CZ-CG 3.9Å; H155-Q159 WeakPolarHBondContact O-CB 3.43Å; H155-Q159 PolarHBondContact O-N 3.14Å; L156-Q159 PolarHBondContact O-N 3.03Å; E157-Q159 PolarHBondContact O-N 3.43Å; Q159-S162 PolarHBondContact O-N 3.48Å; Q159-S162 PolarHBondContact O-OG 3.39Å; Q159-Q163 PolarHBondContact O-N 2.94Å
160L89.1Confident73.8Confident24 Ų2484.6 Ų84.613%0.12647%0.473CS..Hα-helixtrans-64.1-43.7176.7-17565.4000111.9F39 F42 K43 K46 L156 E157 Q158 S162 Q163 A164F39-L160 HydrophobicContact CE2-CB 4.25Å; F39-L160 HydrophobicContact CZ-CD1 4.28Å; F42-L160 HydrophobicContact CE1-CB 4.45Å; F42-L160 HydrophobicContact CE1-CD2 4.29Å; K43-L160 HydrophobicContact CB-CD1 4.41Å; K43-L160 HydrophobicContact CD-CD1 3.96Å; K43-L160 HydrophobicContact CG-CD1 3.79Å; K46-L160 HydrophobicContact CB-CD2 3.99Å; K46-L160 HydrophobicContact CG-CD2 3.51Å; L156-L160 WeakPolarHBondContact O-CB 3.4Å; L156-L160 PolarHBondContact O-N 3.26Å; E157-L160 PolarHBondContact O-N 3.09Å; Q158-L160 VanDerWaalsContact C-N 3.34Å; Q158-L160 PolarHBondContact O-N 3.2Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 2.87Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-Q163 VanDerWaalsContact O-N 3.07Å; L160-A164 PolarHBondContact O-N 2.85Å
161Q86.4Confident71Confident111 Ų11188.1 Ų88.152%0.51950%0.498SS..Hα-helixtrans-60.8-39.8177.4-172.165.34.900111.1E157 Q158 Q163 A164 L165E157-Q161 WeakPolarHBondContact O-CB 3.47Å; E157-Q161 PolarHBondContact O-N 3.41Å; Q158-Q161 PolarHBondContact O-N 2.93Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.25Å; Q161-A164 PolarHBondContact O-N 3.48Å; Q161-L165 HydrophobicContact CG-CD1 4.07Å; Q161-L165 VanDerWaalsContact O-CA 3.3Å; Q161-L165 WeakPolarHBondContact O-CA 3.47Å; Q161-L165 WeakPolarHBondContact O-CD1 3.38Å; Q161-L165 PolarHBondContact O-N 3.25Å
162S83.4Confident68.9Low79 Ų7986.7 Ų86.755%0.55250%0.502SS*.Hα-helixtrans-64.4-30.3175.477.80000113.3Q158 Q159 L160Q158-S162 PolarHBondContact O-N 3.47Å; Q159-S162 PolarHBondContact O-N 3.48Å; Q159-S162 PolarHBondContact O-OG 3.39Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 2.87Å
163Q79.3Confident65.9Low95 Ų9589.5 Ų89.544%0.44452%0.524SS..Hα-helixtrans-81.5-38.5175.6-71.8-168.92.400113.4F39 Q159 L160 Q161 L165 G166F39-Q163 VanDerWaalsContact CE1-CD 3.49Å; F39-Q163 VanDerWaalsContact CE1-OE1 3.3Å; F39-Q163 HydrophobicContact CZ-CG 4.37Å; Q159-Q163 PolarHBondContact O-N 2.94Å; L160-Q163 PolarHBondContact O-N 3.34Å; L160-Q163 VanDerWaalsContact O-N 3.07Å; Q161-Q163 VanDerWaalsContact C-N 3.28Å; Q161-Q163 PolarHBondContact O-N 3.25Å; Q163-L165 VanDerWaalsContact C-N 3.33Å; Q163-G166 PolarHBondContact O-N 2.91Å
164A66.3Low63.4Low79 Ų7995.3 Ų95.365%0.65356%0.56SS**Hα-helixtrans-69.5-37.5175.800000111L160 Q161 G166L160-A164 PolarHBondContact O-N 2.85Å; Q161-A164 PolarHBondContact O-N 3.48Å; A164-G166 PolarHBondContact O-N 3.47Å
165L48.7Very low60.6Low117 Ų11797.4 Ų97.461%0.61357%0.574SS**THydrogen-bonded Turntrans-48.213.9158.664.766.8000117.7Q161 Q163Q161-L165 HydrophobicContact CG-CD1 4.07Å; Q161-L165 VanDerWaalsContact O-CA 3.3Å; Q161-L165 WeakPolarHBondContact O-CA 3.47Å; Q161-L165 WeakPolarHBondContact O-CD1 3.38Å; Q161-L165 PolarHBondContact O-N 3.25Å; Q163-L165 VanDerWaalsContact C-N 3.33Å
166G41.8Very low57.8Low41 Ų4199.6 Ų99.642%0.42359%0.585SS.*  trans-39.5139.5-177.100000110.9Q163 A164 A168Q163-G166 PolarHBondContact O-N 2.91Å; A164-G166 PolarHBondContact O-N 3.47Å; G166-A168 PolarHBondContact O-N 2.85Å
167P38.8Very low55.5Low132 Ų132108.1 Ų108.186%0.85763%0.625SS**SBendtrans-44.8129.3-164.817.1-30.4000110.7
168A32.4Very low52.6Low86 Ų86115.4 Ų115.471%0.71166%0.658SS**  trans-39146.5-175.500000113G166 Q170G166-A168 PolarHBondContact O-N 2.85Å; A168-Q170 PolarHBondContact O-N 3.47Å
169P32.3Very low50Low131 Ų131114.1 Ų114.185%0.85166%0.664SS**  trans-57.7127.1-163.621.8-32.7000112.7
170Q32.5Very low47.8Very low182 Ų182116.3 Ų116.385%0.8569%0.685SS**  trans-114.8146.1150.9-74.8-163.8-34.300109.2A168A168-Q170 PolarHBondContact O-N 3.47Å
171P33.5Very low45.7Very low116 Ų116118.8 Ų118.875%0.75370%0.701SS**  trans-67.5165.8-169.328.6-34.7000113.2
172P43.8Very low43.9Very low124 Ų124117.7 Ų117.781%0.80570%0.704SS**  trans-84.3135.9-146.933.9-32.6000112
173T29.3Very low42.6Very low125 Ų125119.7 Ų119.777%0.76772%0.718SS**  trans-152.6111.5156.19.90000104.1
174V41.6Very low42.1Very low124 Ų124120 Ų12075%0.75272%0.723SS**  32.9108.797.1-166.40000107.6
175T33.3Very low42.7Very low101 Ų101118.4 Ų118.462%0.6271%0.706SS**  -179.6156.585.9-35.20000107.6
176Q34.2Very low44.3Very low168 Ų168113.6 Ų113.679%0.78568%0.68SS**  trans32.4130.2137.4-75.9158.85.400119.9E178Q176-E178 PolarHBondContact O-N 3.4Å
177E43.9Very low46.1Very low188 Ų188118.3 Ų118.388%0.87969%0.689SS**  trans-9117.6147.4-64.2176.9119.800114.7
178E33Very low48.1Very low185 Ų185112.1 Ų112.186%0.86465%0.649SS**  trans-160108.7151.2-112165.2-169.100110.8Q176Q176-E178 PolarHBondContact O-N 3.4Å
179S36.4Very low50.4Low105 Ų105112.4 Ų112.473%0.73464%0.636SS**  trans32.4124.9144.7-48.40000119.6V181S179-V181 PolarHBondContact O-N 3.22Å
180P44.5Very low52.3Low129 Ų129113.4 Ų113.484%0.83863%0.634SS**PPolyproline II helixtrans-64.2123178.926.1-31.1000111.1
181V43.6Very low54.3Low76 Ų76110.9 Ų110.946%0.46162%0.616SS.*PPolyproline II helixtrans-58.4128.8170.8-170.50000108.3S179 C185 V192S179-V181 PolarHBondContact O-N 3.22Å; V181-C185 HydrophobicContact CG1-CB 3.81Å; V181-V192 HydrophobicContact CG1-CG1 3.67Å; V181-V192 HydrophobicContact CG1-CG2 4.44Å
182P49Very low56.4Low88 Ų88108.9 Ų108.957%0.57160%0.602SS**PPolyproline II helixtrans-55.5145.2-178.3-24.432.5000112.2N184 C185P182-N184 PolarHBondContact O-N 3.16Å; P182-C185 PolarHBondContact O-N 3.43Å
183S57.2Low58.1Low121 Ų121104.7 Ų104.785%0.84657%0.571SS**THydrogen-bonded Turntrans-57.90.1-179.2-48.90000115.7
184N68.3Low60.6Low102 Ų102104.8 Ų104.855%0.54556%0.563SS.*THydrogen-bonded Turntrans-111.925.5-179.2-62.7-22.3000112.3P182 E194 D195P182-N184 PolarHBondContact O-N 3.16Å; N184-E194 CarbonylContact O-C 3.59Å; N184-E194 WeakPolarHBondContact O-CA 3.38Å; N184-D195 PolarHBondContact O-N 2.84Å
185C77.8Confident62.8Low45 Ų45100.1 Ų100.130%0.30453%0.534SS..EExtended strand (participates in β ladder)trans-131.3152.3178.9-53.90000112.7V181 P182 V192 F193V181-C185 HydrophobicContact CG1-CB 3.81Å; P182-C185 PolarHBondContact O-N 3.43Å; C185-V192 HydrophobicContact CB-CG1 3.46Å; C185-V192 VanDerWaalsContact CB-CG1 3.46Å; C185-F193 CarbonylContact C-O 3.45Å; C185-F193 WeakPolarHBondContact CA-O 3.29Å; C185-F193 VanDerWaalsContact CB-O 3.26Å; C185-F193 WeakPolarHBondContact CB-O 3.34Å
186F83.5Confident65.4Low17 Ų1799.1 Ų99.18%0.07552%0.519CS..EExtended strand (participates in β ladder)trans-127.9155.917272.2-79.7000110.5F188 F193 E194 D195 L266 V270 L286F186-F188 HydrophobicContact CD2-CB 4.44Å; F186-F188 HydrophobicContact CE2-CB 4.03Å; F186-F193 HydrophobicContact CD1-CB 4.13Å; F186-F193 HydrophobicContact CE1-CB 3.66Å; F186-F193 HydrophobicContact CE2-CB 4.36Å; F186-F193 HydrophobicContact CZ-CB 3.8Å; F186-F193 HydrophobicContact CZ-CG 4.48Å; F186-F193 PolarHBondContact N-O 3.06Å; F186-F193 PolarHBondContact O-N 3.39Å; F186-E194 WeakPolarHBondContact CE1-O 3.39Å; F186-D195 HydrophobicContact CD1-CB 3.89Å; F186-L266 HydrophobicContact CE1-CB 4.42Å; F186-L266 HydrophobicContact CE1-CD2 4.3Å; F186-L266 HydrophobicContact CE1-CG 4.27Å; F186-L266 HydrophobicContact CZ-CD2 4.36Å; F186-L266 HydrophobicContact CZ-CG 4.17Å; F186-V270 HydrophobicContact CE2-CB 3.96Å; F186-V270 HydrophobicContact CE2-CG1 3.92Å; F186-V270 HydrophobicContact CE2-CG2 4.05Å; F186-V270 HydrophobicContact CZ-CB 4.34Å; F186-V270 HydrophobicContact CZ-CG2 3.97Å; F186-L286 HydrophobicContact CE2-CD1 4.46Å; F186-L286 HydrophobicContact CE2-CD2 4.46Å; F186-L286 HydrophobicContact CZ-CD1 4.45Å; F186-L286 HydrophobicContact CZ-CD2 3.68Å
187K79.9Confident67.9Low139 Ų13996 Ų9660%0.60451%0.505SS*.EExtended strand (participates in β ladder)trans-96.9132.8176.2-70.5-176.7-179.5-175.30110.2R191 V192K187-R191 CarbonylContact C-O 3.41Å; K187-R191 VanDerWaalsContact CA-O 3.27Å; K187-R191 WeakPolarHBondContact CA-O 3.31Å; K187-V192 HydrophobicContact CG-CG2 4.04Å
188F81.2Confident70Confident2 Ų287.9 Ų87.91%0.00947%0.468CS..EExtended strand (participates in β ladder)trans-134.3126.6169.4174.3-99.9000108.2F186 N190 R191 F193 V270 E274 T279 A282 E283 L286 M288F186-F188 HydrophobicContact CD2-CB 4.44Å; F186-F188 HydrophobicContact CE2-CB 4.03Å; F188-N190 PolarHBondContact O-N 2.81Å; F188-N190 VanDerWaalsContact O-N 3.16Å; F188-R191 PolarHBondContact N-O 3.1Å; F188-R191 PolarHBondContact O-N 3.45Å; F188-F193 HydrophobicContact CB-CD2 3.88Å; F188-F193 HydrophobicContact CB-CE2 3.9Å; F188-F193 HydrophobicContact CD1-CE2 4.1Å; F188-V270 HydrophobicContact CB-CG1 4.3Å; F188-V270 HydrophobicContact CD2-CG1 3.29Å; F188-V270 HydrophobicContact CE2-CG1 3.74Å; F188-V270 HydrophobicContact CG-CG1 3.94Å; F188-E274 VanDerWaalsContact CD2-CD 3.5Å; F188-E274 HydrophobicContact CD2-CG 4.06Å; F188-E274 WeakPolarHBondContact CD2-OE1 3.49Å; F188-E274 HydrophobicContact CE2-CG 3.61Å; F188-E274 WeakPolarHBondContact CE2-OE1 3.37Å; F188-T279 HydrophobicContact CE2-CG2 4.29Å; F188-T279 HydrophobicContact CZ-CG2 3.82Å; F188-A282 HydrophobicContact CE1-CB 4.41Å; F188-A282 HydrophobicContact CE2-CB 3.72Å; F188-A282 HydrophobicContact CZ-CB 3.56Å; F188-E283 HydrophobicContact CE1-CG 3.79Å; F188-E283 HydrophobicContact CZ-CG 4.09Å; F188-L286 HydrophobicContact CB-CD1 3.8Å; F188-L286 HydrophobicContact CD1-CD1 3.22Å; F188-L286 HydrophobicContact CD2-CD1 4.27Å; F188-L286 HydrophobicContact CE1-CD1 3.76Å; F188-L286 HydrophobicContact CG-CD1 3.5Å; F188-L286 HydrophobicContact CZ-CD1 4.47Å; F188-M288 HydrophobicContact CD1-CE 4.25Å; F188-M288 HydrophobicContact CD1-SD 3.48Å; F188-M288 WeakPolarHBondContact CD1-SD 3.47Å; F188-M288 HydrophobicContact CE1-SD 3.52Å; F188-M288 VanDerWaalsContact CE1-SD 3.52Å
189Q78.8Confident72.6Confident93 Ų9381.9 Ų81.944%0.43544%0.444SS..THydrogen-bonded Turntrans45.944.3-174.8-59.2-17510.100114.7R191 E283 M288Q189-R191 PolarHBondContact O-N 3.27Å; Q189-E283 PolarHBondContact NE2-OE1 3.31Å; Q189-M288 HydrophobicContact CB-CE 4.3Å
190N73.3Confident75Confident152 Ų15280.4 Ų80.481%0.81344%0.438SS*.THydrogen-bonded Turntrans63.414.9-178.4-152.635.1000115.6F188F188-N190 PolarHBondContact O-N 2.81Å; F188-N190 VanDerWaalsContact O-N 3.16Å
191R73.8Confident77Confident128 Ų12877.2 Ų77.248%0.48342%0.422SS..EExtended strand (participates in β ladder)trans-108146.1166.1-57-161.1-165.7166.8-2.1110.5K187 F188 Q189 F193 M288K187-R191 CarbonylContact C-O 3.41Å; K187-R191 VanDerWaalsContact CA-O 3.27Å; K187-R191 WeakPolarHBondContact CA-O 3.31Å; F188-R191 PolarHBondContact N-O 3.1Å; F188-R191 PolarHBondContact O-N 3.45Å; Q189-R191 PolarHBondContact O-N 3.27Å; R191-F193 HydrophobicContact CB-CD2 4.39Å; R191-F193 HydrophobicContact CB-CE2 3.64Å; R191-F193 HydrophobicContact CB-CZ 3.99Å; R191-M288 HydrophobicContact CB-CE 3.89Å; R191-M288 HydrophobicContact CG-CE 3.57Å
192V77.6Confident79.1Confident74 Ų7473.8 Ų73.845%0.44840%0.402SS..EExtended strand (participates in β ladder)trans-92126.3178179.70000108.8V181 C185 K187V181-V192 HydrophobicContact CG1-CG1 3.67Å; V181-V192 HydrophobicContact CG1-CG2 4.44Å; C185-V192 HydrophobicContact CB-CG1 3.46Å; C185-V192 VanDerWaalsContact CB-CG1 3.46Å; K187-V192 HydrophobicContact CG-CG2 4.04Å
193F80.5Confident81.1Confident36 Ų3670 Ų7016%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-120.1149.9177.2-67.2-82.7000110.5C185 F186 F188 R191 D195 L286 M288C185-F193 CarbonylContact C-O 3.45Å; C185-F193 WeakPolarHBondContact CA-O 3.29Å; C185-F193 VanDerWaalsContact CB-O 3.26Å; C185-F193 WeakPolarHBondContact CB-O 3.34Å; F186-F193 HydrophobicContact CD1-CB 4.13Å; F186-F193 HydrophobicContact CE1-CB 3.66Å; F186-F193 HydrophobicContact CE2-CB 4.36Å; F186-F193 HydrophobicContact CZ-CB 3.8Å; F186-F193 HydrophobicContact CZ-CG 4.48Å; F186-F193 PolarHBondContact N-O 3.06Å; F186-F193 PolarHBondContact O-N 3.39Å; F188-F193 HydrophobicContact CB-CD2 3.88Å; F188-F193 HydrophobicContact CB-CE2 3.9Å; F188-F193 HydrophobicContact CD1-CE2 4.1Å; R191-F193 HydrophobicContact CB-CD2 4.39Å; R191-F193 HydrophobicContact CB-CE2 3.64Å; R191-F193 HydrophobicContact CB-CZ 3.99Å; F193-D195 PolarHBondContact O-N 3.25Å; F193-L286 HydrophobicContact CB-CD2 4.17Å; F193-L286 HydrophobicContact CD1-CB 4.13Å; F193-L286 HydrophobicContact CD1-CD2 3.83Å; F193-L286 HydrophobicContact CD1-CG 4.4Å; F193-L286 HydrophobicContact CD2-CD1 4.05Å; F193-L286 HydrophobicContact CD2-CD2 4.34Å; F193-L286 HydrophobicContact CE1-CB 3.72Å; F193-L286 HydrophobicContact CE1-CD2 4.3Å; F193-L286 HydrophobicContact CE1-CG 4.4Å; F193-L286 HydrophobicContact CE2-CB 4.49Å; F193-L286 HydrophobicContact CE2-CD1 3.94Å; F193-L286 HydrophobicContact CG-CD1 4.38Å; F193-L286 HydrophobicContact CG-CD2 3.85Å; F193-L286 HydrophobicContact CZ-CB 3.92Å; F193-L286 HydrophobicContact CZ-CD1 4.2Å; F193-M288 HydrophobicContact CE1-CG 4.27Å; F193-M288 HydrophobicContact CE2-CE 3.83Å; F193-M288 HydrophobicContact CE2-SD 4Å; F193-M288 HydrophobicContact CZ-CE 3.58Å; F193-M288 HydrophobicContact CZ-CG 3.62Å; F193-M288 HydrophobicContact CZ-SD 3.59Å; F193-M288 VanDerWaalsContact CZ-SD 3.59Å
194E82.3Confident82.6Confident127 Ų12769.1 Ų69.159%0.59336%0.359SS*.EExtended strand (participates in β ladder)trans-68.6128.5173.1-169-177.5177.200110.8N184 F186 R196N184-E194 CarbonylContact O-C 3.59Å; N184-E194 WeakPolarHBondContact O-CA 3.38Å; F186-E194 WeakPolarHBondContact CE1-O 3.39Å; E194-R196 HydrophobicContact CG-CB 4.46Å; E194-R196 PolarHBondContact O-N 2.87Å
195D86.5Confident83.6Confident26 Ų2666 Ų6614%0.13935%0.346CS..  trans-83.860.1177.9-168.728.4000111N184 F186 F193 K265 S267N184-D195 PolarHBondContact O-N 2.84Å; F186-D195 HydrophobicContact CD1-CB 3.89Å; F193-D195 PolarHBondContact O-N 3.25Å; D195-K265 WeakPolarHBondContact OD1-CB 3.5Å; D195-K265 WeakPolarHBondContact OD1-CD 3.21Å; D195-K265 WeakPolarHBondContact OD2-CD 3.46Å; D195-K265 IonicContact OD2-NZ 3.61Å; D195-K265 PolarHBondContact OD2-NZ 3.06Å; D195-S267 VanDerWaalsContact CG-OG 3.26Å; D195-S267 WeakPolarHBondContact OD1-CB 3.41Å; D195-S267 PolarHBondContact OD1-N 3.31Å; D195-S267 PolarHBondContact OD1-OG 3.45Å; D195-S267 PolarHBondContact OD2-OG 3.42Å
196R88.6Confident84.3Confident81 Ų8163.9 Ų63.931%0.30633%0.331SS..PPolyproline II helixtrans-76.6163.4178.662.5176.9-17871.81.3112.2E194 T199 D202 L266E194-R196 HydrophobicContact CG-CB 4.46Å; E194-R196 PolarHBondContact O-N 2.87Å; R196-T199 PolarHBondContact NH1-OG1 3.42Å; R196-D202 IonicContact CZ-OD1 3.79Å; R196-D202 IonicContact CZ-OD2 3.46Å; R196-D202 IonicContact NH1-OD1 3.73Å; R196-D202 IonicContact NH1-OD2 3.64Å; R196-D202 PolarHBondContact NH1-OD2 2.99Å; R196-D202 IonicContact NH2-OD1 2.79Å; R196-D202 PolarHBondContact NH2-OD1 2.91Å; R196-D202 IonicContact NH2-OD2 3.38Å; R196-D202 PolarHBondContact NH2-OD2 3.06Å; R196-L266 HydrophobicContact CG-CB 4.49Å; R196-L266 HydrophobicContact CG-CD2 4.27Å; R196-L266 WeakPolarHBondContact O-CB 2.98Å; R196-L266 PolarHBondContact O-N 2.92Å
197M86.9Confident84.7Confident101 Ų10163.3 Ų63.350%0.49833%0.329SS..BIsolated β-bridgetrans-64.7152171.1-63.1-179.6-165.300110.6T199 R262M197-T199 PolarHBondContact O-N 3.3Å; M197-R262 HydrophobicContact CE-CB 3.64Å; M197-R262 HydrophobicContact CE-CG 3.64Å; M197-R262 HydrophobicContact SD-CG 4.46Å
198L87.5Confident85.3Confident18 Ų1862.2 Ų62.29%0.09433%0.33CS..PPolyproline II helixtrans-62.6128.1172.2-69174.5000110.3D202 F256 I257 A264 L266 L269L198-D202 HydrophobicContact CD2-CB 3.91Å; L198-F256 HydrophobicContact CD1-CD1 3.75Å; L198-F256 HydrophobicContact CD1-CE1 3.72Å; L198-I257 HydrophobicContact CB-CD1 3.89Å; L198-I257 HydrophobicContact CB-CG1 4.13Å; L198-I257 HydrophobicContact CD1-CD1 4.34Å; L198-I257 HydrophobicContact CD1-CG1 4.09Å; L198-A264 WeakPolarHBondContact CG-O 3.41Å; L198-A264 PolarHBondContact N-O 3Å; L198-L266 HydrophobicContact CD2-CB 4.42Å; L198-L266 HydrophobicContact CD2-CD1 3.93Å; L198-L269 HydrophobicContact CD1-CB 4.39Å; L198-L269 HydrophobicContact CD1-CD2 4.21Å; L198-L269 HydrophobicContact CD2-CB 3.98Å; L198-L269 HydrophobicContact CD2-CD2 3.54Å; L198-L269 HydrophobicContact CD2-CG 4.43Å
199T87.6Confident85.5Confident59 Ų5964.2 Ų64.236%0.36235%0.351SS..PPolyproline II helixtrans-100.2165.9177.563.70000110.3R196 M197 A201 D202 V203R196-T199 PolarHBondContact NH1-OG1 3.42Å; M197-T199 PolarHBondContact O-N 3.3Å; T199-A201 PolarHBondContact O-N 3.15Å; T199-D202 WeakPolarHBondContact CB-OD2 3.29Å; T199-D202 PolarHBondContact N-OD2 3.13Å; T199-D202 PolarHBondContact O-N 2.89Å; T199-D202 VanDerWaalsContact OG1-CG 3.3Å; T199-D202 PolarHBondContact OG1-N 2.84Å; T199-D202 PolarHBondContact OG1-OD2 3.09Å; T199-V203 WeakPolarHBondContact O-CG2 3.26Å; T199-V203 PolarHBondContact O-N 3.06Å; T199-V203 VanDerWaalsContact O-N 3.13Å
200A86.1Confident86.1Confident75 Ų7560 Ų6062%0.6233%0.331SS*.Hα-helixtrans-56.4-33.317400000112.6V203 Q204A200-V203 PolarHBondContact O-N 3.31Å; A200-Q204 WeakPolarHBondContact O-CG 3.17Å; A200-Q204 PolarHBondContact O-N 3.29Å
201A86.6Confident87Confident61 Ų6154.1 Ų54.150%0.50431%0.307SS..Hα-helixtrans-65.5-40176.300000112.2T199 V203 Q204 S205T199-A201 PolarHBondContact O-N 3.15Å; A201-V203 VanDerWaalsContact C-N 3.33Å; A201-Q204 PolarHBondContact O-N 2.97Å; A201-S205 WeakPolarHBondContact O-CB 3.46Å; A201-S205 PolarHBondContact O-N 3.49Å
202D88.3Confident87.7Confident5 Ų558 Ų583%0.02732%0.321CS..Hα-helixtrans-66.1-40.6176.9-54.8-53.1000110.9R196 L198 T199 S205 F206 M285R196-D202 IonicContact CZ-OD1 3.79Å; R196-D202 IonicContact CZ-OD2 3.46Å; R196-D202 IonicContact NH1-OD1 3.73Å; R196-D202 IonicContact NH1-OD2 3.64Å; R196-D202 PolarHBondContact NH1-OD2 2.99Å; R196-D202 IonicContact NH2-OD1 2.79Å; R196-D202 PolarHBondContact NH2-OD1 2.91Å; R196-D202 IonicContact NH2-OD2 3.38Å; R196-D202 PolarHBondContact NH2-OD2 3.06Å; L198-D202 HydrophobicContact CD2-CB 3.91Å; T199-D202 WeakPolarHBondContact CB-OD2 3.29Å; T199-D202 PolarHBondContact N-OD2 3.13Å; T199-D202 PolarHBondContact O-N 2.89Å; T199-D202 VanDerWaalsContact OG1-CG 3.3Å; T199-D202 PolarHBondContact OG1-N 2.84Å; T199-D202 PolarHBondContact OG1-OD2 3.09Å; D202-S205 PolarHBondContact O-N 3.01Å; D202-F206 VanDerWaalsContact O-CB 3.31Å; D202-F206 WeakPolarHBondContact O-CB 3.38Å; D202-F206 PolarHBondContact O-N 2.83Å; D202-M285 HydrophobicContact CB-CE 3.52Å; D202-M285 WeakPolarHBondContact O-CE 3.32Å
203V91.1Very high88.4Confident7 Ų758.3 Ų58.34%0.04232%0.318CS..Hα-helixtrans-62.2-47.9177178.70000110.5T199 A200 A201 F206 S207 Y250 L253 I257T199-V203 WeakPolarHBondContact O-CG2 3.26Å; T199-V203 PolarHBondContact O-N 3.06Å; T199-V203 VanDerWaalsContact O-N 3.13Å; A200-V203 PolarHBondContact O-N 3.31Å; A201-V203 VanDerWaalsContact C-N 3.33Å; V203-F206 PolarHBondContact O-N 3.39Å; V203-S207 WeakPolarHBondContact O-CB 3.25Å; V203-S207 PolarHBondContact O-N 3.07Å; V203-S207 PolarHBondContact O-OG 3.39Å; V203-Y250 HydrophobicContact CG1-CD2 3.46Å; V203-Y250 VanDerWaalsContact CG1-CD2 3.46Å; V203-Y250 HydrophobicContact CG1-CE2 3.53Å; V203-Y250 HydrophobicContact CG1-CG 4.35Å; V203-L253 HydrophobicContact CB-CD1 4.38Å; V203-L253 HydrophobicContact CG1-CB 4.17Å; V203-L253 HydrophobicContact CG1-CD1 4.41Å; V203-L253 HydrophobicContact CG2-CB 4.25Å; V203-L253 HydrophobicContact CG2-CD1 4.24Å; V203-I257 HydrophobicContact CG2-CD1 3.52Å
204Q89.3Confident89Confident103 Ų10356.6 Ų56.648%0.48131%0.311SS..Hα-helixtrans-62.3-45.3177-73.8176-15.500112.3A200 A201 F206 S207 N208A200-Q204 WeakPolarHBondContact O-CG 3.17Å; A200-Q204 PolarHBondContact O-N 3.29Å; A201-Q204 PolarHBondContact O-N 2.97Å; Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 PolarHBondContact O-N 2.65Å; Q204-S207 PolarHBondContact O-N 2.8Å; Q204-N208 WeakPolarHBondContact O-CB 3.33Å; Q204-N208 PolarHBondContact O-N 3.03Å; Q204-N208 PolarHBondContact O-ND2 2.9Å
205S88.7Confident89.4Confident38 Ų3854.1 Ų54.127%0.26630%0.298SS..Hα-helixtrans-60.4-43.5178-172.50000111.3A201 D202 G209 M285A201-S205 WeakPolarHBondContact O-CB 3.46Å; A201-S205 PolarHBondContact O-N 3.49Å; D202-S205 PolarHBondContact O-N 3.01Å; S205-G209 PolarHBondContact O-N 3.12Å; S205-G209 VanDerWaalsContact O-N 3.11Å; S205-M285 WeakPolarHBondContact OG-CG 3.14Å
206F92.7Very high89.6Confident0 Ų058.2 Ų58.20%032%0.316CS..Hα-helixtrans-62.7-52.1176173.9-99.1000111.9D202 V203 Q204 N208 G209 V210 V217 A249 L252 L253 L269 L273 L281 M285D202-F206 VanDerWaalsContact O-CB 3.31Å; D202-F206 WeakPolarHBondContact O-CB 3.38Å; D202-F206 PolarHBondContact O-N 2.83Å; V203-F206 PolarHBondContact O-N 3.39Å; Q204-F206 VanDerWaalsContact C-N 3.31Å; Q204-F206 PolarHBondContact O-N 2.65Å; F206-N208 VanDerWaalsContact C-N 3.25Å; F206-N208 PolarHBondContact O-N 3.08Å; F206-G209 PolarHBondContact O-N 3.25Å; F206-V210 HydrophobicContact CD1-CG1 4.18Å; F206-V210 HydrophobicContact CD2-CB 4.04Å; F206-V210 HydrophobicContact CD2-CG1 4.47Å; F206-V210 HydrophobicContact CD2-CG2 4.29Å; F206-V210 HydrophobicContact CE1-CB 4.34Å; F206-V210 HydrophobicContact CE1-CG1 3.83Å; F206-V210 HydrophobicContact CE2-CB 3.69Å; F206-V210 HydrophobicContact CE2-CG1 4.11Å; F206-V210 HydrophobicContact CE2-CG2 3.49Å; F206-V210 VanDerWaalsContact CE2-CG2 3.49Å; F206-V210 HydrophobicContact CG-CB 4.49Å; F206-V210 HydrophobicContact CZ-CB 3.89Å; F206-V210 HydrophobicContact CZ-CG1 3.8Å; F206-V210 HydrophobicContact CZ-CG2 3.66Å; F206-V210 WeakPolarHBondContact O-CB 3.22Å; F206-V210 VanDerWaalsContact O-CG1 3.28Å; F206-V210 WeakPolarHBondContact O-CG1 3.37Å; F206-V210 PolarHBondContact O-N 3.16Å; F206-V217 HydrophobicContact CE2-CB 4.1Å; F206-V217 HydrophobicContact CE2-CG1 3.71Å; F206-V217 HydrophobicContact CE2-CG2 4.18Å; F206-V217 HydrophobicContact CZ-CB 4.11Å; F206-V217 HydrophobicContact CZ-CG1 3.95Å; F206-A249 HydrophobicContact CD1-CB 4.2Å; F206-A249 HydrophobicContact CE1-CB 3.85Å; F206-A249 WeakPolarHBondContact CE1-O 3.42Å; F206-L252 HydrophobicContact CE1-CD2 4.15Å; F206-L252 HydrophobicContact CZ-CD2 4.02Å; F206-L253 HydrophobicContact CB-CD1 3.44Å; F206-L253 VanDerWaalsContact CB-CD1 3.44Å; F206-L253 HydrophobicContact CD1-CD1 3.21Å; F206-L253 HydrophobicContact CD1-CD2 4.34Å; F206-L253 HydrophobicContact CD1-CG 3.46Å; F206-L253 VanDerWaalsContact CD1-CG 3.46Å; F206-L253 HydrophobicContact CD2-CD1 4.28Å; F206-L253 HydrophobicContact CE1-CD1 3.98Å; F206-L253 HydrophobicContact CE1-CD2 4.33Å; F206-L253 HydrophobicContact CE1-CG 3.71Å; F206-L253 HydrophobicContact CG-CD1 3.37Å; F206-L253 HydrophobicContact CG-CG 4.05Å; F206-L253 HydrophobicContact CZ-CG 4.49Å; F206-L269 HydrophobicContact CD2-CD1 3.98Å; F206-L269 HydrophobicContact CE2-CD1 4.09Å; F206-L273 HydrophobicContact CD2-CD2 4.04Å; F206-L273 HydrophobicContact CE2-CD2 3.91Å; F206-L281 HydrophobicContact CD2-CD2 4.33Å; F206-M285 HydrophobicContact CB-CE 4.38Å; F206-M285 HydrophobicContact CB-SD 4.19Å
207S92.4Very high89.8Confident4 Ų454.4 Ų54.43%0.02830%0.301CS..Hα-helixtrans-61.3-34.1-176.6-62.90000113V203 Q204 Y246 Y250V203-S207 WeakPolarHBondContact O-CB 3.25Å; V203-S207 PolarHBondContact O-N 3.07Å; V203-S207 PolarHBondContact O-OG 3.39Å; Q204-S207 PolarHBondContact O-N 2.8Å; S207-Y246 VanDerWaalsContact CB-CE2 3.41Å; S207-Y246 WeakPolarHBondContact O-CD2 3.35Å; S207-Y250 WeakPolarHBondContact OG-CA 3.34Å; S207-Y250 WeakPolarHBondContact OG-CB 3.28Å; S207-Y250 PolarHBondContact OG-N 3.41Å
208N90.5Very high90Very high117 Ų11749.6 Ų49.663%0.62628%0.278SS*.Hα-helixtrans-73.3-35.6174.6-75.2-45.9000113Q204 F206 Y246Q204-N208 WeakPolarHBondContact O-CB 3.33Å; Q204-N208 PolarHBondContact O-N 3.03Å; Q204-N208 PolarHBondContact O-ND2 2.9Å; F206-N208 VanDerWaalsContact C-N 3.25Å; F206-N208 PolarHBondContact O-N 3.08Å; N208-Y246 WeakPolarHBondContact OD1-CD2 3.45Å; N208-Y246 WeakPolarHBondContact OD1-CE2 3.22Å
209G86.8Confident90.2Very high43 Ų4355.1 Ų55.144%0.44330%0.297SS..Hα-helixtrans-96.5-25.5-169.700000116.1S205 F206S205-G209 PolarHBondContact O-N 3.12Å; S205-G209 VanDerWaalsContact O-N 3.11Å; F206-G209 PolarHBondContact O-N 3.25Å
210V91.6Very high90.3Very high4 Ų453 Ų532%0.02429%0.286CS..  trans-78.3-28.2-168730000113.5F206 R212 Q213 W214 V217 A249 L278 L281F206-V210 HydrophobicContact CD1-CG1 4.18Å; F206-V210 HydrophobicContact CD2-CB 4.04Å; F206-V210 HydrophobicContact CD2-CG1 4.47Å; F206-V210 HydrophobicContact CD2-CG2 4.29Å; F206-V210 HydrophobicContact CE1-CB 4.34Å; F206-V210 HydrophobicContact CE1-CG1 3.83Å; F206-V210 HydrophobicContact CE2-CB 3.69Å; F206-V210 HydrophobicContact CE2-CG1 4.11Å; F206-V210 HydrophobicContact CE2-CG2 3.49Å; F206-V210 VanDerWaalsContact CE2-CG2 3.49Å; F206-V210 HydrophobicContact CG-CB 4.49Å; F206-V210 HydrophobicContact CZ-CB 3.89Å; F206-V210 HydrophobicContact CZ-CG1 3.8Å; F206-V210 HydrophobicContact CZ-CG2 3.66Å; F206-V210 WeakPolarHBondContact O-CB 3.22Å; F206-V210 VanDerWaalsContact O-CG1 3.28Å; F206-V210 WeakPolarHBondContact O-CG1 3.37Å; F206-V210 PolarHBondContact O-N 3.16Å; V210-R212 PolarHBondContact O-N 2.81Å; V210-Q213 HydrophobicContact CG2-CB 4.36Å; V210-Q213 WeakPolarHBondContact O-CB 3.41Å; V210-Q213 PolarHBondContact O-N 3.14Å; V210-Q213 VanDerWaalsContact O-N 3.1Å; V210-W214 HydrophobicContact CG1-CB 3.68Å; V210-W214 HydrophobicContact CG2-CB 4.15Å; V210-V217 HydrophobicContact CG2-CB 4.48Å; V210-V217 HydrophobicContact CG2-CG2 3.76Å; V210-A249 HydrophobicContact CG1-CB 3.39Å; V210-L278 HydrophobicContact CG2-CD1 3.72Å; V210-L281 HydrophobicContact CB-CD2 3.98Å
211G91Very high90.4Very high29 Ų2949.5 Ų49.530%0.29926%0.257SS..G310 helixtrans48-134.3-179.700000113.3Q213 W214G211-Q213 PolarHBondContact O-N 2.94Å; G211-Q213 VanDerWaalsContact O-N 3.09Å; G211-W214 PolarHBondContact O-N 3.02Å
212R89.4Confident90.4Very high209 Ų20946.9 Ų46.979%0.78924%0.235SC*.G310 helixtrans-64.9-13.6-177.6-63.4-178.8-178.4-167.6-0.3114.3V210 W214 L245V210-R212 PolarHBondContact O-N 2.81Å; R212-W214 VanDerWaalsContact C-N 3.27Å; R212-W214 PolarHBondContact O-N 3.5Å; R212-L245 HydrophobicContact CG-CD1 3.6Å; R212-L245 HydrophobicContact CG-CD2 4.45Å
213Q91.1Very high90.3Very high81 Ų8153.5 Ų53.538%0.37926%0.264SS..G310 helixtrans-84.1-1-179-61.5-61.9-7.200113.1V210 G211 K215 H216 V217 L278V210-Q213 HydrophobicContact CG2-CB 4.36Å; V210-Q213 WeakPolarHBondContact O-CB 3.41Å; V210-Q213 PolarHBondContact O-N 3.14Å; V210-Q213 VanDerWaalsContact O-N 3.1Å; G211-Q213 PolarHBondContact O-N 2.94Å; G211-Q213 VanDerWaalsContact O-N 3.09Å; Q213-K215 PolarHBondContact O-N 3.27Å; Q213-K215 VanDerWaalsContact O-N 3.14Å; Q213-H216 WeakPolarHBondContact O-CB 3.39Å; Q213-H216 PolarHBondContact O-N 2.82Å; Q213-H216 PolarHBondContact OE1-ND1 3.2Å; Q213-V217 PolarHBondContact O-N 2.98Å; Q213-L278 HydrophobicContact CB-CD1 3.88Å; Q213-L278 HydrophobicContact CB-CD2 4.46Å; Q213-L278 HydrophobicContact CG-CD2 4.37Å
214W93.1Very high89.6Confident1 Ų156.4 Ų56.40%0.00428%0.284CS..Hα-helixtrans-55-36.1179.576.8-102.9000112.4V210 G211 R212 V217 G218 I233 L236 A237 Q248 A249 L252V210-W214 HydrophobicContact CG1-CB 3.68Å; V210-W214 HydrophobicContact CG2-CB 4.15Å; G211-W214 PolarHBondContact O-N 3.02Å; R212-W214 VanDerWaalsContact C-N 3.27Å; R212-W214 PolarHBondContact O-N 3.5Å; W214-V217 PolarHBondContact O-N 2.88Å; W214-G218 PolarHBondContact O-N 2.8Å; W214-I233 HydrophobicContact CH2-CG2 4.21Å; W214-I233 WeakPolarHBondContact CH2-O 3.35Å; W214-I233 HydrophobicContact CZ3-CG2 3.89Å; W214-L236 HydrophobicContact CH2-CB 4.04Å; W214-L236 HydrophobicContact CZ3-CB 4.23Å; W214-A237 HydrophobicContact CH2-CB 3.79Å; W214-A237 HydrophobicContact CZ2-CB 3.68Å; W214-Q248 HydrophobicContact CD2-CB 4.07Å; W214-Q248 HydrophobicContact CH2-CB 4.17Å; W214-Q248 HydrophobicContact CZ2-CB 3.6Å; W214-Q248 HydrophobicContact CZ2-CG 3.94Å; W214-A249 HydrophobicContact CB-CB 3.9Å; W214-A249 HydrophobicContact CG-CB 4.47Å; W214-L252 HydrophobicContact CE3-CB 4.24Å; W214-L252 HydrophobicContact CE3-CD2 4.11Å; W214-L252 HydrophobicContact CZ3-CB 4.5Å; W214-L252 WeakPolarHBondContact O-CD2 3.35Å
215K91.7Very high89.5Confident75 Ų7551.5 Ų51.533%0.32626%0.261SS..Hα-helixtrans-65.3-39.1176.1-62.6-171.2-177.1-170.10112.6Q213 G218 R219 I233 A237Q213-K215 PolarHBondContact O-N 3.27Å; Q213-K215 VanDerWaalsContact O-N 3.14Å; K215-G218 PolarHBondContact O-N 2.7Å; K215-R219 WeakPolarHBondContact O-CG 3.45Å; K215-R219 PolarHBondContact O-N 3.32Å; K215-I233 HydrophobicContact CB-CG2 3.98Å; K215-I233 HydrophobicContact CG-CG2 4.02Å; K215-A237 VanDerWaalsContact CE-CB 3.48Å
216H91.3Very high89.3Confident112 Ų11260.2 Ų60.252%0.51929%0.289SS..Hα-helixtrans-67.8-45.6177.8-72.988.6000110.6Q213 G218 R219 A220Q213-H216 WeakPolarHBondContact O-CB 3.39Å; Q213-H216 PolarHBondContact O-N 2.82Å; Q213-H216 PolarHBondContact OE1-ND1 3.2Å; H216-G218 VanDerWaalsContact C-N 3.31Å; H216-G218 PolarHBondContact O-N 3.28Å; H216-R219 PolarHBondContact O-N 3.43Å; H216-A220 PolarHBondContact O-N 3.13Å
217V91.8Very high88.9Confident0 Ų061.9 Ų61.90%030%0.302CS..Hα-helixtrans-62-41.6174.7-176.50000110.8F206 V210 Q213 W214 R219 A220 L221 L269 A272 L273 S276 L278F206-V217 HydrophobicContact CE2-CB 4.1Å; F206-V217 HydrophobicContact CE2-CG1 3.71Å; F206-V217 HydrophobicContact CE2-CG2 4.18Å; F206-V217 HydrophobicContact CZ-CB 4.11Å; F206-V217 HydrophobicContact CZ-CG1 3.95Å; V210-V217 HydrophobicContact CG2-CB 4.48Å; V210-V217 HydrophobicContact CG2-CG2 3.76Å; Q213-V217 PolarHBondContact O-N 2.98Å; W214-V217 PolarHBondContact O-N 2.88Å; V217-R219 PolarHBondContact O-N 3.25Å; V217-A220 WeakPolarHBondContact O-CB 3.35Å; V217-A220 PolarHBondContact O-N 3.25Å; V217-A220 VanDerWaalsContact O-N 3.16Å; V217-L221 HydrophobicContact CG1-CD1 4.19Å; V217-L221 HydrophobicContact CG1-CG 4.39Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å; V217-L221 PolarHBondContact O-N 3.21Å; V217-L269 HydrophobicContact CG1-CD1 4.32Å; V217-A272 HydrophobicContact CG1-CB 3.88Å; V217-L273 HydrophobicContact CG1-CD2 4.36Å; V217-L273 HydrophobicContact CG2-CD2 4Å; V217-S276 WeakPolarHBondContact CA-OG 3.12Å; V217-S276 WeakPolarHBondContact CG2-OG 3.33Å; V217-L278 HydrophobicContact CG2-CD1 3.67Å
218G91.6Very high88.7Confident0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-60.6-41176.300000113.1W214 K215 H216 L221 G222W214-G218 PolarHBondContact O-N 2.8Å; K215-G218 PolarHBondContact O-N 2.7Å; H216-G218 VanDerWaalsContact C-N 3.31Å; H216-G218 PolarHBondContact O-N 3.28Å; G218-L221 PolarHBondContact O-N 3.46Å; G218-G222 PolarHBondContact O-N 3.48Å
219R91.8Very high88.4Confident135 Ų13561.6 Ų61.651%0.50930%0.295SS..Hα-helixtrans-67-37.3173.7-71.4176.7-171.3-89.7-7.7112K215 H216 V217 G222 K223 I233 D234K215-R219 WeakPolarHBondContact O-CG 3.45Å; K215-R219 PolarHBondContact O-N 3.32Å; H216-R219 PolarHBondContact O-N 3.43Å; V217-R219 PolarHBondContact O-N 3.25Å; R219-G222 PolarHBondContact O-N 3.36Å; R219-K223 PolarHBondContact O-N 2.96Å; R219-I233 HydrophobicContact CG-CG1 4.42Å; R219-D234 IonicContact NH2-OD1 2.65Å; R219-D234 PolarHBondContact NH2-OD1 2.91Å; R219-D234 IonicContact NH2-OD2 2.89Å; R219-D234 PolarHBondContact NH2-OD2 3.04Å; R219-D234 VanDerWaalsContact NH2-OD2 3.08Å
220A89.4Confident88.1Confident14 Ų1462.2 Ų62.212%0.11630%0.301CS..Hα-helixtrans-64.9-46.3174.500000111.7H216 V217 G222 K223 A272 D275H216-A220 PolarHBondContact O-N 3.13Å; V217-A220 WeakPolarHBondContact O-CB 3.35Å; V217-A220 PolarHBondContact O-N 3.25Å; V217-A220 VanDerWaalsContact O-N 3.16Å; A220-G222 VanDerWaalsContact C-N 3.28Å; A220-G222 PolarHBondContact O-N 3.31Å; A220-K223 WeakPolarHBondContact O-CB 3.31Å; A220-K223 WeakPolarHBondContact O-CG 3.42Å; A220-K223 PolarHBondContact O-N 3.38Å; A220-A272 HydrophobicContact CB-CB 3.97Å; A220-D275 HydrophobicContact CB-CB 4.26Å
221L89.4Confident87.9Confident2 Ų266 Ų661%0.0133%0.326CS..Hα-helixtrans-60.4-39.3172.3-71.7172.4000111.6V217 G218 K223 S224 C225 L228 L253 F256 L269 A272V217-L221 HydrophobicContact CG1-CD1 4.19Å; V217-L221 HydrophobicContact CG1-CG 4.39Å; V217-L221 WeakPolarHBondContact O-CG 3.32Å; V217-L221 PolarHBondContact O-N 3.21Å; G218-L221 PolarHBondContact O-N 3.46Å; L221-K223 PolarHBondContact O-N 3.47Å; L221-K223 VanDerWaalsContact O-N 3.15Å; L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3Å; L221-S224 VanDerWaalsContact O-OG 3.06Å; L221-C225 PolarHBondContact O-N 3.04Å; L221-L228 HydrophobicContact CB-CD1 3.74Å; L221-L228 HydrophobicContact CD1-CD1 4.36Å; L221-L253 HydrophobicContact CD1-CD2 4.02Å; L221-F256 HydrophobicContact CD2-CE1 4.47Å; L221-F256 HydrophobicContact CD2-CE2 4.09Å; L221-F256 HydrophobicContact CD2-CZ 4.07Å; L221-L269 HydrophobicContact CD1-CD1 4.33Å; L221-A272 HydrophobicContact CD2-CB 3.6Å; L221-A272 HydrophobicContact CG-CB 3.65Å
222G86.6Confident87.8Confident5 Ų564.9 Ų64.95%0.05231%0.314CS..Hα-helixtrans-58.5-22.5177.200000114.7G218 R219 A220 S224 K229G218-G222 PolarHBondContact O-N 3.48Å; R219-G222 PolarHBondContact O-N 3.36Å; A220-G222 VanDerWaalsContact C-N 3.28Å; A220-G222 PolarHBondContact O-N 3.31Å; G222-S224 PolarHBondContact O-N 3.22Å; G222-K229 WeakPolarHBondContact O-CE 3.31Å; G222-K229 WeakPolarHBondContact O-CG 3.35Å
223K85Confident87.9Confident145 Ų14555 Ų5563%0.6328%0.277SS*.Hα-helixtrans-56.8-40.4171.5-64176.3-174.2168.70111.2R219 A220 L221 D275R219-K223 PolarHBondContact O-N 2.96Å; A220-K223 WeakPolarHBondContact O-CB 3.31Å; A220-K223 WeakPolarHBondContact O-CG 3.42Å; A220-K223 PolarHBondContact O-N 3.38Å; L221-K223 PolarHBondContact O-N 3.47Å; L221-K223 VanDerWaalsContact O-N 3.15Å; K223-D275 IonicContact NZ-OD2 2.94Å; K223-D275 PolarHBondContact NZ-OD2 3.25Å
224S77Confident88Confident67 Ų6754.5 Ų54.547%0.46928%0.277SS..Hα-helixtrans-103-19.8-176.868.50000114.2L221 G222 R268L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3Å; L221-S224 VanDerWaalsContact O-OG 3.06Å; G222-S224 PolarHBondContact O-N 3.22Å; S224-R268 PolarHBondContact O-NH2 3.47Å; S224-R268 PolarHBondContact OG-NE 2.79Å; S224-R268 PolarHBondContact OG-NH2 2.9Å
225C85.8Confident87.9Confident0 Ų058 Ų580%030%0.295CS..  trans-113.3112.4-177.9174.50000112L221 A227 L228 F256 E260L221-C225 PolarHBondContact O-N 3.04Å; C225-A227 VanDerWaalsContact C-N 3.29Å; C225-A227 PolarHBondContact O-N 3.16Å; C225-L228 HydrophobicContact CB-CB 4.45Å; C225-L228 HydrophobicContact CB-CD1 4.36Å; C225-L228 HydrophobicContact CB-CG 4.4Å; C225-L228 PolarHBondContact O-N 3.44Å; C225-F256 HydrophobicContact CB-CD2 3.83Å; C225-F256 HydrophobicContact CB-CE2 3.86Å; C225-E260 WeakPolarHBondContact CA-OE1 3.24Å; C225-E260 HydrophobicContact CB-CG 4.27Å; C225-E260 WeakPolarHBondContact CB-OE1 3.4Å
226R85.4Confident87.9Confident222 Ų22254.5 Ų54.584%0.83828%0.281SS*.G310 helixtrans-61.6-34.5-178.7-67.1-173.8-177.4-161.61.1112.9L228 K229R226-L228 PolarHBondContact O-N 2.81Å; R226-L228 VanDerWaalsContact O-N 3.17Å; R226-K229 WeakPolarHBondContact O-CB 3.4Å; R226-K229 PolarHBondContact O-N 3.1Å; R226-K229 VanDerWaalsContact O-N 3.1Å
227A84.6Confident87.9Confident35 Ų3549.7 Ų49.729%0.28926%0.26SS..G310 helixtrans-68.9-11.6-179.100000114.4C225 A232 R255 A259C225-A227 VanDerWaalsContact C-N 3.29Å; C225-A227 PolarHBondContact O-N 3.16Å; A227-A232 WeakPolarHBondContact O-CB 3.41Å; A227-R255 PolarHBondContact O-NE 3.08Å; A227-R255 VanDerWaalsContact O-NE 3.17Å; A227-A259 HydrophobicContact CB-CB 3.29Å
228L87.3Confident87.8Confident2 Ų258.7 Ų58.71%0.0130%0.296CS..G310 helixtrans-108.44.7176.2-63.4-176.2000112.9L221 C225 R226 I233 L252 R255 F256L221-L228 HydrophobicContact CB-CD1 3.74Å; L221-L228 HydrophobicContact CD1-CD1 4.36Å; C225-L228 HydrophobicContact CB-CB 4.45Å; C225-L228 HydrophobicContact CB-CD1 4.36Å; C225-L228 HydrophobicContact CB-CG 4.4Å; C225-L228 PolarHBondContact O-N 3.44Å; R226-L228 PolarHBondContact O-N 2.81Å; R226-L228 VanDerWaalsContact O-N 3.17Å; L228-I233 HydrophobicContact CB-CD1 4.29Å; L228-I233 HydrophobicContact CD2-CD1 4.26Å; L228-L252 HydrophobicContact CD1-CD1 3.94Å; L228-L252 HydrophobicContact CD2-CD1 3.68Å; L228-L252 HydrophobicContact CG-CD1 4.4Å; L228-R255 HydrophobicContact CD2-CB 4.33Å; L228-R255 HydrophobicContact CD2-CG 4.18Å; L228-F256 HydrophobicContact CD1-CB 4.05Å; L228-F256 HydrophobicContact CD1-CD2 3.98Å; L228-F256 HydrophobicContact CD1-CG 4.42Å
229K85.1Confident87.9Confident112 Ų11263.8 Ų63.849%0.48732%0.319SS..SBendtrans-81.7161.7176.6-71.9-172.1178.5-174.70112G222 R226 A232G222-K229 WeakPolarHBondContact O-CE 3.31Å; G222-K229 WeakPolarHBondContact O-CG 3.35Å; R226-K229 WeakPolarHBondContact O-CB 3.4Å; R226-K229 PolarHBondContact O-N 3.1Å; R226-K229 VanDerWaalsContact O-N 3.1Å; K229-A232 WeakPolarHBondContact O-CB 3.29Å
230G80.6Confident87.9Confident56 Ų5659.8 Ų59.858%0.57730%0.304SS*.THydrogen-bonded Turntrans65.8-137.7173.300000112.2A232G230-A232 PolarHBondContact O-N 3.28Å
231P87.9Confident87.9Confident84 Ų8465.5 Ų65.555%0.54533%0.329SS..THydrogen-bonded Turntrans-74.5-1.7-175.232.5-36000113.4I233 D234 N235P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.28Å; P231-D234 PolarHBondContact O-N 3.13Å; P231-N235 WeakPolarHBondContact O-CB 3.41Å; P231-N235 PolarHBondContact O-N 3.29Å; P231-N235 PolarHBondContact O-OD1 3.02Å
232A88.5Confident87.8Confident6 Ų677.4 Ų77.45%0.0537%0.373CS..Hα-helixtrans-56.3-40-173.700000113.6A227 K229 G230 L236A227-A232 WeakPolarHBondContact O-CB 3.41Å; K229-A232 WeakPolarHBondContact O-CB 3.29Å; G230-A232 PolarHBondContact O-N 3.28Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.5Å; A232-L236 PolarHBondContact O-N 3.13Å
233I92.1Very high88.1Confident2 Ų282.9 Ų82.91%0.0140%0.398CS..Hα-helixtrans-69.6-39.9178.1-55.8-57.5000111.2W214 K215 R219 L228 P231 A237 L252W214-I233 HydrophobicContact CH2-CG2 4.21Å; W214-I233 WeakPolarHBondContact CH2-O 3.35Å; W214-I233 HydrophobicContact CZ3-CG2 3.89Å; K215-I233 HydrophobicContact CB-CG2 3.98Å; K215-I233 HydrophobicContact CG-CG2 4.02Å; R219-I233 HydrophobicContact CG-CG1 4.42Å; L228-I233 HydrophobicContact CB-CD1 4.29Å; L228-I233 HydrophobicContact CD2-CD1 4.26Å; P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.28Å; I233-A237 PolarHBondContact O-N 3.27Å; I233-L252 HydrophobicContact CD1-CD1 3.46Å; I233-L252 VanDerWaalsContact CD1-CD1 3.46Å
234D91.5Very high88.3Confident69 Ų6977.3 Ų77.337%0.36938%0.381SS..Hα-helixtrans-74-34.2-179.1-60.9-50.8000110.8R219 P231 A237 Y238R219-D234 IonicContact NH2-OD1 2.65Å; R219-D234 PolarHBondContact NH2-OD1 2.91Å; R219-D234 IonicContact NH2-OD2 2.89Å; R219-D234 PolarHBondContact NH2-OD2 3.04Å; R219-D234 VanDerWaalsContact NH2-OD2 3.08Å; P231-D234 PolarHBondContact O-N 3.13Å; D234-A237 WeakPolarHBondContact O-CB 3.4Å; D234-A237 PolarHBondContact O-N 2.79Å; D234-Y238 PolarHBondContact O-N 2.91Å
235N92Very high89Confident74 Ų7477.5 Ų77.540%0.39638%0.377SS..Hα-helixtrans-63.8-47.8170.8-68.7-2.6000111.4P231 A237 Y238 E239P231-N235 WeakPolarHBondContact O-CB 3.41Å; P231-N235 PolarHBondContact O-N 3.29Å; P231-N235 PolarHBondContact O-OD1 3.02Å; N235-A237 PolarHBondContact O-N 2.82Å; N235-Y238 PolarHBondContact O-N 2.84Å; N235-Y238 VanDerWaalsContact O-N 3.1Å; N235-E239 WeakPolarHBondContact O-CB 2.86Å; N235-E239 VanDerWaalsContact O-CG 3.31Å; N235-E239 WeakPolarHBondContact O-CG 3.07Å; N235-E239 PolarHBondContact O-N 3.37Å
236L91.3Very high89.4Confident3 Ų381.8 Ų81.82%0.01639%0.394CS..Hα-helixtrans-57.9-37.1174.1-77173.9000111.7W214 A232 Y238 Y240 Q251 L252W214-L236 HydrophobicContact CH2-CB 4.04Å; W214-L236 HydrophobicContact CZ3-CB 4.23Å; A232-L236 WeakPolarHBondContact O-CB 3.47Å; A232-L236 VanDerWaalsContact O-CG 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.5Å; A232-L236 PolarHBondContact O-N 3.13Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; L236-Y240 HydrophobicContact CD2-CD2 4.08Å; L236-Y240 HydrophobicContact CD2-CE2 3.83Å; L236-Y240 WeakPolarHBondContact O-CD2 3.31Å; L236-Y240 PolarHBondContact O-N 2.85Å; L236-Y240 VanDerWaalsContact O-N 3.16Å; L236-Q251 HydrophobicContact CD2-CB 4.04Å; L236-L252 HydrophobicContact CD1-CB 4.37Å; L236-L252 HydrophobicContact CD1-CD1 4.14Å
237A90.8Very high89.8Confident11 Ų1173.1 Ų73.19%0.09136%0.363CS..Hα-helixtrans-66.1-39.7177.900000112W214 K215 I233 D234 N235 E241 Q248W214-A237 HydrophobicContact CH2-CB 3.79Å; W214-A237 HydrophobicContact CZ2-CB 3.68Å; K215-A237 VanDerWaalsContact CE-CB 3.48Å; I233-A237 PolarHBondContact O-N 3.27Å; D234-A237 WeakPolarHBondContact O-CB 3.4Å; D234-A237 PolarHBondContact O-N 2.79Å; N235-A237 PolarHBondContact O-N 2.82Å; A237-E241 WeakPolarHBondContact O-CB 3.47Å; A237-E241 PolarHBondContact O-N 2.87Å; A237-Q248 PolarHBondContact O-NE2 3.17Å
238Y91.2Very high90.1Very high189 Ų18972 Ų7274%0.74135%0.352SS*.Hα-helixtrans-72.8-46.2178.1-178.9-99.2000112.2D234 N235 L236 Y240D234-Y238 PolarHBondContact O-N 2.91Å; N235-Y238 PolarHBondContact O-N 2.84Å; N235-Y238 VanDerWaalsContact O-N 3.1Å; L236-Y238 VanDerWaalsContact C-N 3.34Å; Y238-Y240 PolarHBondContact O-N 3.17Å
239E91.9Very high90.4Very high106 Ų10672 Ų7250%0.49535%0.351SS..Hα-helixtrans-60.5-44.1-178.5-74.7169.8-16700111.9N235N235-E239 WeakPolarHBondContact O-CB 2.86Å; N235-E239 VanDerWaalsContact O-CG 3.31Å; N235-E239 WeakPolarHBondContact O-CG 3.07Å; N235-E239 PolarHBondContact O-N 3.37Å
240Y92.2Very high90.8Very high51 Ų5170.6 Ų70.620%0.234%0.344CS..THydrogen-bonded Turntrans-106.520.2-173.9-61.4-81.3000113.4L236 Y238 R242 E243 G244 E247 Q251L236-Y240 HydrophobicContact CD2-CD2 4.08Å; L236-Y240 HydrophobicContact CD2-CE2 3.83Å; L236-Y240 WeakPolarHBondContact O-CD2 3.31Å; L236-Y240 PolarHBondContact O-N 2.85Å; L236-Y240 VanDerWaalsContact O-N 3.16Å; Y238-Y240 PolarHBondContact O-N 3.17Å; Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.17Å; Y240-E243 WeakPolarHBondContact CD1-OE1 3.31Å; Y240-E243 PolarHBondContact O-N 2.94Å; Y240-G244 PolarHBondContact O-N 3.37Å; Y240-E247 HydrophobicContact CD1-CG 3.85Å; Y240-E247 HydrophobicContact CG-CG 4.45Å; Y240-Q251 HydrophobicContact CD1-CG 3.79Å; Y240-Q251 HydrophobicContact CD2-CB 3.97Å; Y240-Q251 HydrophobicContact CD2-CG 3.84Å; Y240-Q251 HydrophobicContact CE1-CG 3.55Å; Y240-Q251 HydrophobicContact CE2-CB 3.81Å; Y240-Q251 HydrophobicContact CE2-CG 3.62Å; Y240-Q251 HydrophobicContact CG-CB 4.45Å; Y240-Q251 HydrophobicContact CG-CG 3.92Å; Y240-Q251 VanDerWaalsContact CZ-CD 3.43Å; Y240-Q251 VanDerWaalsContact CZ-CG 3.46Å; Y240-Q251 PolarHBondContact OH-OE1 2.95Å
241E89.3Confident91.4Very high135 Ų13569.8 Ų69.863%0.63133%0.325SS*.THydrogen-bonded Turntrans-57.7-38.8-179.6-171.1173.5-156.400112.6A237A237-E241 WeakPolarHBondContact O-CB 3.47Å; A237-E241 PolarHBondContact O-N 2.87Å
242R88.6Confident91.8Very high251 Ų25165.8 Ų65.895%0.94730%0.299SS*.THydrogen-bonded Turntrans-75.5-23.5-176.1-63.9-171.4177-150.2-0.2114Y240Y240-R242 VanDerWaalsContact C-N 3.26Å; Y240-R242 PolarHBondContact O-N 3.17Å
243E91.6Very high92Very high120 Ų12065.5 Ų65.556%0.56130%0.296SS*.THydrogen-bonded Turntrans-89.4-17.8-177.3-66.5168.8-118.100111.8Y240 E247Y240-E243 WeakPolarHBondContact CD1-OE1 3.31Å; Y240-E243 PolarHBondContact O-N 2.94Å; E243-E247 HydrophobicContact CB-CB 3.6Å; E243-E247 HydrophobicContact CB-CG 3.71Å; E243-E247 HydrophobicContact CG-CG 4.44Å; E243-E247 WeakPolarHBondContact OE2-CG 3.28Å
244G89.9Confident92Very high28 Ų2866.2 Ų66.229%0.28930%0.302SS..  trans96.8178.7171.100000114.2Y240 Y246 E247 Q248Y240-G244 PolarHBondContact O-N 3.37Å; G244-Y246 VanDerWaalsContact C-N 3.29Å; G244-Y246 PolarHBondContact O-N 3.01Å; G244-E247 PolarHBondContact O-N 3.32Å; G244-Q248 WeakPolarHBondContact O-CG 3.45Å; G244-Q248 PolarHBondContact O-N 3.16Å; G244-Q248 VanDerWaalsContact O-N 3.1Å
245L91.4Very high91.9Very high71 Ų7167.6 Ų67.637%0.37230%0.302SS..Hα-helixtrans-63.1-34-170.7-65.5174.5000113.5R212 A249R212-L245 HydrophobicContact CG-CD1 3.6Å; R212-L245 HydrophobicContact CG-CD2 4.45Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.7Å
246Y93.5Very high91.9Very high91 Ų9164 Ų6436%0.35728%0.283SS..Hα-helixtrans-59.9-49.7176.8173.8-89.7000110.6S207 N208 G244 A249 Y250S207-Y246 VanDerWaalsContact CB-CE2 3.41Å; S207-Y246 WeakPolarHBondContact O-CD2 3.35Å; N208-Y246 WeakPolarHBondContact OD1-CD2 3.45Å; N208-Y246 WeakPolarHBondContact OD1-CE2 3.22Å; G244-Y246 VanDerWaalsContact C-N 3.29Å; G244-Y246 PolarHBondContact O-N 3.01Å; Y246-A249 PolarHBondContact O-N 3.17Å; Y246-Y250 WeakPolarHBondContact O-CB 3.39Å; Y246-Y250 PolarHBondContact O-N 3.19Å
247E93.8Very high91.8Very high39 Ų3966.3 Ų66.318%0.18230%0.295CS..Hα-helixtrans-67.7-42.2-177.8-169.462-149.200111.2Y240 E243 G244 A249 Y250 Q251Y240-E247 HydrophobicContact CD1-CG 3.85Å; Y240-E247 HydrophobicContact CG-CG 4.45Å; E243-E247 HydrophobicContact CB-CB 3.6Å; E243-E247 HydrophobicContact CB-CG 3.71Å; E243-E247 HydrophobicContact CG-CG 4.44Å; E243-E247 WeakPolarHBondContact OE2-CG 3.28Å; G244-E247 PolarHBondContact O-N 3.32Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 2.7Å; E247-Y250 WeakPolarHBondContact O-CB 3.43Å; E247-Y250 PolarHBondContact O-N 2.97Å; E247-Y250 VanDerWaalsContact O-N 3.07Å; E247-Q251 HydrophobicContact CG-CG 4.17Å; E247-Q251 WeakPolarHBondContact O-CB 3.44Å; E247-Q251 VanDerWaalsContact O-CG 3.23Å; E247-Q251 WeakPolarHBondContact O-CG 3.35Å; E247-Q251 PolarHBondContact O-N 3Å; E247-Q251 PolarHBondContact OE1-NE2 2.94Å
248Q92.4Very high91.7Very high13 Ų1373.5 Ų73.56%0.06133%0.326CS..Hα-helixtrans-55.8-42.2174.1-71.2176.6-17.500112.5W214 A237 G244 L252W214-Q248 HydrophobicContact CD2-CB 4.07Å; W214-Q248 HydrophobicContact CH2-CB 4.17Å; W214-Q248 HydrophobicContact CZ2-CB 3.6Å; W214-Q248 HydrophobicContact CZ2-CG 3.94Å; A237-Q248 PolarHBondContact O-NE2 3.17Å; G244-Q248 WeakPolarHBondContact O-CG 3.45Å; G244-Q248 PolarHBondContact O-N 3.16Å; G244-Q248 VanDerWaalsContact O-N 3.1Å; Q248-L252 WeakPolarHBondContact O-CB 3.28Å; Q248-L252 PolarHBondContact O-N 3.48Å
249A93Very high91.5Very high0 Ų067 Ų670%031%0.312CS..Hα-helixtrans-69.4-37.917600000112.7F206 V210 W214 L245 Y246 E247 L252 L253F206-A249 HydrophobicContact CD1-CB 4.2Å; F206-A249 HydrophobicContact CE1-CB 3.85Å; F206-A249 WeakPolarHBondContact CE1-O 3.42Å; V210-A249 HydrophobicContact CG1-CB 3.39Å; W214-A249 HydrophobicContact CB-CB 3.9Å; W214-A249 HydrophobicContact CG-CB 4.47Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.7Å; Y246-A249 PolarHBondContact O-N 3.17Å; E247-A249 VanDerWaalsContact C-N 3.27Å; E247-A249 PolarHBondContact O-N 2.7Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 2.86Å; A249-L253 PolarHBondContact O-N 3.32Å
250Y93.6Very high91.2Very high83 Ų8364.2 Ų64.233%0.32530%0.299SS..Hα-helixtrans-63-45.6175.5-177.1-92.2000111.7V203 S207 Y246 E247 L252 L253 S254V203-Y250 HydrophobicContact CG1-CD2 3.46Å; V203-Y250 VanDerWaalsContact CG1-CD2 3.46Å; V203-Y250 HydrophobicContact CG1-CE2 3.53Å; V203-Y250 HydrophobicContact CG1-CG 4.35Å; S207-Y250 WeakPolarHBondContact OG-CA 3.34Å; S207-Y250 WeakPolarHBondContact OG-CB 3.28Å; S207-Y250 PolarHBondContact OG-N 3.41Å; Y246-Y250 WeakPolarHBondContact O-CB 3.39Å; Y246-Y250 PolarHBondContact O-N 3.19Å; E247-Y250 WeakPolarHBondContact O-CB 3.43Å; E247-Y250 PolarHBondContact O-N 2.97Å; E247-Y250 VanDerWaalsContact O-N 3.07Å; Y250-L252 VanDerWaalsContact C-N 3.33Å; Y250-L252 PolarHBondContact O-N 3.14Å; Y250-L253 PolarHBondContact O-N 3.39Å; Y250-S254 WeakPolarHBondContact CE1-OG 3.22Å; Y250-S254 WeakPolarHBondContact O-CB 3.29Å; Y250-S254 PolarHBondContact O-N 3.35Å; Y250-S254 PolarHBondContact O-OG 3.29Å
251Q93.7Very high90.8Very high39 Ų3963.7 Ų63.718%0.18231%0.309CS..Hα-helixtrans-68.6-34.2179.7-65.2-67-11.700111.9L236 Y240 E247 S254 R255L236-Q251 HydrophobicContact CD2-CB 4.04Å; Y240-Q251 HydrophobicContact CD1-CG 3.79Å; Y240-Q251 HydrophobicContact CD2-CB 3.97Å; Y240-Q251 HydrophobicContact CD2-CG 3.84Å; Y240-Q251 HydrophobicContact CE1-CG 3.55Å; Y240-Q251 HydrophobicContact CE2-CB 3.81Å; Y240-Q251 HydrophobicContact CE2-CG 3.62Å; Y240-Q251 HydrophobicContact CG-CB 4.45Å; Y240-Q251 HydrophobicContact CG-CG 3.92Å; Y240-Q251 VanDerWaalsContact CZ-CD 3.43Å; Y240-Q251 VanDerWaalsContact CZ-CG 3.46Å; Y240-Q251 PolarHBondContact OH-OE1 2.95Å; E247-Q251 HydrophobicContact CG-CG 4.17Å; E247-Q251 WeakPolarHBondContact O-CB 3.44Å; E247-Q251 VanDerWaalsContact O-CG 3.23Å; E247-Q251 WeakPolarHBondContact O-CG 3.35Å; E247-Q251 PolarHBondContact O-N 3Å; E247-Q251 PolarHBondContact OE1-NE2 2.94Å; Q251-S254 PolarHBondContact O-N 3.28Å; Q251-R255 VanDerWaalsContact O-CB 3.25Å; Q251-R255 WeakPolarHBondContact O-CB 3.41Å; Q251-R255 PolarHBondContact O-N 2.88Å
252L94.6Very high90.3Very high0 Ų067.3 Ų67.30%032%0.317CS..Hα-helixtrans-56.4-53.1171.2175.770.5000111.8F206 W214 L228 I233 L236 Q248 A249 Y250 R255 F256F206-L252 HydrophobicContact CE1-CD2 4.15Å; F206-L252 HydrophobicContact CZ-CD2 4.02Å; W214-L252 HydrophobicContact CE3-CB 4.24Å; W214-L252 HydrophobicContact CE3-CD2 4.11Å; W214-L252 HydrophobicContact CZ3-CB 4.5Å; W214-L252 WeakPolarHBondContact O-CD2 3.35Å; L228-L252 HydrophobicContact CD1-CD1 3.94Å; L228-L252 HydrophobicContact CD2-CD1 3.68Å; L228-L252 HydrophobicContact CG-CD1 4.4Å; I233-L252 HydrophobicContact CD1-CD1 3.46Å; I233-L252 VanDerWaalsContact CD1-CD1 3.46Å; L236-L252 HydrophobicContact CD1-CB 4.37Å; L236-L252 HydrophobicContact CD1-CD1 4.14Å; Q248-L252 WeakPolarHBondContact O-CB 3.28Å; Q248-L252 PolarHBondContact O-N 3.48Å; A249-L252 WeakPolarHBondContact O-CB 3.42Å; A249-L252 PolarHBondContact O-N 2.86Å; Y250-L252 VanDerWaalsContact C-N 3.33Å; Y250-L252 PolarHBondContact O-N 3.14Å; L252-R255 PolarHBondContact O-N 3.38Å; L252-F256 PolarHBondContact O-N 3.11Å
253L93.7Very high90Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-71.5-35.3-179.5-75.4-170.1000112.7V203 F206 L221 A249 Y250 R255 F256 I257 L269V203-L253 HydrophobicContact CB-CD1 4.38Å; V203-L253 HydrophobicContact CG1-CB 4.17Å; V203-L253 HydrophobicContact CG1-CD1 4.41Å; V203-L253 HydrophobicContact CG2-CB 4.25Å; V203-L253 HydrophobicContact CG2-CD1 4.24Å; F206-L253 HydrophobicContact CB-CD1 3.44Å; F206-L253 VanDerWaalsContact CB-CD1 3.44Å; F206-L253 HydrophobicContact CD1-CD1 3.21Å; F206-L253 HydrophobicContact CD1-CD2 4.34Å; F206-L253 HydrophobicContact CD1-CG 3.46Å; F206-L253 VanDerWaalsContact CD1-CG 3.46Å; F206-L253 HydrophobicContact CD2-CD1 4.28Å; F206-L253 HydrophobicContact CE1-CD1 3.98Å; F206-L253 HydrophobicContact CE1-CD2 4.33Å; F206-L253 HydrophobicContact CE1-CG 3.71Å; F206-L253 HydrophobicContact CG-CD1 3.37Å; F206-L253 HydrophobicContact CG-CG 4.05Å; F206-L253 HydrophobicContact CZ-CG 4.49Å; L221-L253 HydrophobicContact CD1-CD2 4.02Å; A249-L253 PolarHBondContact O-N 3.32Å; Y250-L253 PolarHBondContact O-N 3.39Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.13Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 3.21Å; L253-I257 WeakPolarHBondContact O-CB 3.47Å; L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.49Å; L253-I257 PolarHBondContact O-N 3.15Å; L253-L269 HydrophobicContact CD1-CD2 3.89Å; L253-L269 HydrophobicContact CD2-CD1 3.83Å; L253-L269 HydrophobicContact CD2-CD2 4.2Å
254S91.1Very high89.8Confident18 Ų1851.8 Ų51.813%0.12626%0.262CS..Hα-helixtrans-59.1-45.6174-640000110.8Y250 Q251 F256 I257 Q258Y250-S254 WeakPolarHBondContact CE1-OG 3.22Å; Y250-S254 WeakPolarHBondContact O-CB 3.29Å; Y250-S254 PolarHBondContact O-N 3.35Å; Y250-S254 PolarHBondContact O-OG 3.29Å; Q251-S254 PolarHBondContact O-N 3.28Å; S254-F256 PolarHBondContact O-N 3.02Å; S254-I257 PolarHBondContact O-N 3.4Å; S254-Q258 WeakPolarHBondContact O-CB 3.42Å; S254-Q258 VanDerWaalsContact O-CG 3.23Å; S254-Q258 WeakPolarHBondContact O-CG 3.42Å; S254-Q258 PolarHBondContact O-N 3.24Å
255R91.1Very high89.8Confident97 Ų9753.4 Ų53.437%0.36626%0.262SS..Hα-helixtrans-64.8-38.6175.7-169177.3-175.6110.52.7112.5A227 L228 Q251 L252 L253 A259A227-R255 PolarHBondContact O-NE 3.08Å; A227-R255 VanDerWaalsContact O-NE 3.17Å; L228-R255 HydrophobicContact CD2-CB 4.33Å; L228-R255 HydrophobicContact CD2-CG 4.18Å; Q251-R255 VanDerWaalsContact O-CB 3.25Å; Q251-R255 WeakPolarHBondContact O-CB 3.41Å; Q251-R255 PolarHBondContact O-N 2.88Å; L252-R255 PolarHBondContact O-N 3.38Å; L253-R255 VanDerWaalsContact C-N 3.31Å; L253-R255 PolarHBondContact O-N 3.13Å; R255-A259 VanDerWaalsContact O-CB 3.29Å; R255-A259 WeakPolarHBondContact O-CB 3.41Å; R255-A259 PolarHBondContact O-N 2.77Å
256F91.5Very high89.7Confident0 Ų050.2 Ų50.20%025%0.245CC..Hα-helixtrans-61.2-48.7174178.5-112.6000111.9L198 L221 C225 L228 L252 L253 S254 A259 E260 A264 R268L198-F256 HydrophobicContact CD1-CD1 3.75Å; L198-F256 HydrophobicContact CD1-CE1 3.72Å; L221-F256 HydrophobicContact CD2-CE1 4.47Å; L221-F256 HydrophobicContact CD2-CE2 4.09Å; L221-F256 HydrophobicContact CD2-CZ 4.07Å; C225-F256 HydrophobicContact CB-CD2 3.83Å; C225-F256 HydrophobicContact CB-CE2 3.86Å; L228-F256 HydrophobicContact CD1-CB 4.05Å; L228-F256 HydrophobicContact CD1-CD2 3.98Å; L228-F256 HydrophobicContact CD1-CG 4.42Å; L252-F256 PolarHBondContact O-N 3.11Å; L253-F256 WeakPolarHBondContact O-CB 3.47Å; L253-F256 PolarHBondContact O-N 3.21Å; S254-F256 PolarHBondContact O-N 3.02Å; F256-A259 PolarHBondContact O-N 3.37Å; F256-E260 HydrophobicContact CD2-CG 3.94Å; F256-E260 HydrophobicContact CE2-CG 3.74Å; F256-E260 HydrophobicContact CZ-CG 4.32Å; F256-E260 WeakPolarHBondContact O-CB 3.16Å; F256-E260 WeakPolarHBondContact O-CG 3.47Å; F256-E260 PolarHBondContact O-N 3.05Å; F256-A264 HydrophobicContact CD1-CB 4.17Å; F256-A264 HydrophobicContact CE1-CB 3.93Å; F256-R268 HydrophobicContact CZ-CB 4.08Å
257I89.8Confident89.5Confident51 Ų5146.2 Ų46.226%0.26223%0.23SC..Hα-helixtrans-63.9-43.6179.9-67.9165.9000110.9L198 V203 L253 S254 A259 G261 A264L198-I257 HydrophobicContact CB-CD1 3.89Å; L198-I257 HydrophobicContact CB-CG1 4.13Å; L198-I257 HydrophobicContact CD1-CD1 4.34Å; L198-I257 HydrophobicContact CD1-CG1 4.09Å; V203-I257 HydrophobicContact CG2-CD1 3.52Å; L253-I257 WeakPolarHBondContact O-CB 3.47Å; L253-I257 VanDerWaalsContact O-CG1 3.28Å; L253-I257 WeakPolarHBondContact O-CG1 3.49Å; L253-I257 PolarHBondContact O-N 3.15Å; S254-I257 PolarHBondContact O-N 3.4Å; I257-A259 VanDerWaalsContact C-N 3.34Å; I257-A259 PolarHBondContact O-N 2.94Å; I257-G261 WeakPolarHBondContact O-CA 3.39Å; I257-G261 PolarHBondContact O-N 2.81Å; I257-A264 HydrophobicContact CB-CB 4.32Å; I257-A264 HydrophobicContact CG1-CB 4.02Å
258Q87.5Confident89.4Confident161 Ų16146.4 Ų46.475%0.75223%0.229SC*.Hα-helixtrans-62.9-39.9177.4-73.4172.49.400112.5S254S254-Q258 WeakPolarHBondContact O-CB 3.42Å; S254-Q258 VanDerWaalsContact O-CG 3.23Å; S254-Q258 WeakPolarHBondContact O-CG 3.42Å; S254-Q258 PolarHBondContact O-N 3.24Å
259A87.7Confident89.3Confident53 Ų5345.8 Ų45.844%0.43823%0.227SC..Hα-helixtrans-75.9-37-178.100000113.6A227 R255 F256 I257A227-A259 HydrophobicContact CB-CB 3.29Å; R255-A259 VanDerWaalsContact O-CB 3.29Å; R255-A259 WeakPolarHBondContact O-CB 3.41Å; R255-A259 PolarHBondContact O-N 2.77Å; F256-A259 PolarHBondContact O-N 3.37Å; I257-A259 VanDerWaalsContact C-N 3.34Å; I257-A259 PolarHBondContact O-N 2.94Å
260E84.3Confident89.2Confident47 Ų4745.9 Ų45.922%0.2223%0.227CC..Hα-helixtrans-99.2-19.3-172.3-65.8-77178.600112.9C225 F256 R262 A263 A264 R268C225-E260 WeakPolarHBondContact CA-OE1 3.24Å; C225-E260 HydrophobicContact CB-CG 4.27Å; C225-E260 WeakPolarHBondContact CB-OE1 3.4Å; F256-E260 HydrophobicContact CD2-CG 3.94Å; F256-E260 HydrophobicContact CE2-CG 3.74Å; F256-E260 HydrophobicContact CZ-CG 4.32Å; F256-E260 WeakPolarHBondContact O-CB 3.16Å; F256-E260 WeakPolarHBondContact O-CG 3.47Å; F256-E260 PolarHBondContact O-N 3.05Å; E260-R262 PolarHBondContact O-N 2.82Å; E260-R262 VanDerWaalsContact O-N 3.13Å; E260-A263 HydrophobicContact CB-CB 4.27Å; E260-A263 WeakPolarHBondContact O-CB 3.44Å; E260-A263 PolarHBondContact O-N 3.47Å; E260-A264 HydrophobicContact CB-CB 3.99Å; E260-R268 VanDerWaalsContact CD-NH2 3.26Å; E260-R268 IonicContact OE1-CZ 2.74Å; E260-R268 IonicContact OE1-NH1 3.5Å; E260-R268 IonicContact OE1-NH2 3.7Å; E260-R268 PolarHBondContact OE1-NH2 3.11Å; E260-R268 IonicContact OE2-CZ 3.5Å; E260-R268 IonicContact OE2-NH1 2.91Å; E260-R268 PolarHBondContact OE2-NH1 2.84Å; E260-R268 IonicContact OE2-NH2 3.56Å; E260-R268 PolarHBondContact OE2-NH2 2.87Å
261G84.9Confident88.9Confident40 Ų4049.2 Ų49.241%0.41224%0.239SC..G310 helixtrans52.4-117.6179.800000112.1I257 A263 A264I257-G261 WeakPolarHBondContact O-CA 3.39Å; I257-G261 PolarHBondContact O-N 2.81Å; G261-A263 PolarHBondContact O-N 2.82Å; G261-A264 VanDerWaalsContact O-CB 3.25Å; G261-A264 WeakPolarHBondContact O-CB 3.4Å; G261-A264 PolarHBondContact O-N 3.18Å
262R79Confident88.8Confident211 Ų21147.6 Ų47.680%0.79623%0.232SC*.G310 helixtrans-65.5-16.7179.1-62.1-170178.2-179.8-0.2114M197 E260M197-R262 HydrophobicContact CE-CB 3.64Å; M197-R262 HydrophobicContact CE-CG 3.64Å; M197-R262 HydrophobicContact SD-CG 4.46Å; E260-R262 PolarHBondContact O-N 2.82Å; E260-R262 VanDerWaalsContact O-N 3.13Å
263A81.6Confident88.5Confident43 Ų4347.6 Ų47.636%0.35523%0.232SC..G310 helixtrans-87.5-4175.400000113.1E260 G261 K265 R268E260-A263 HydrophobicContact CB-CB 4.27Å; E260-A263 WeakPolarHBondContact O-CB 3.44Å; E260-A263 PolarHBondContact O-N 3.47Å; G261-A263 PolarHBondContact O-N 2.82Å; A263-K265 PolarHBondContact O-N 2.78Å; A263-R268 VanDerWaalsContact O-CD 3.25Å; A263-R268 WeakPolarHBondContact O-CD 3.48Å; A263-R268 PolarHBondContact O-NH1 2.94Å
264A87.9Confident88.2Confident2 Ų251.2 Ų51.22%0.01725%0.249CC..  trans-75.968.9174.200000110.8L198 F256 I257 E260 G261L198-A264 WeakPolarHBondContact CG-O 3.41Å; L198-A264 PolarHBondContact N-O 3Å; F256-A264 HydrophobicContact CD1-CB 4.17Å; F256-A264 HydrophobicContact CE1-CB 3.93Å; I257-A264 HydrophobicContact CB-CB 4.32Å; I257-A264 HydrophobicContact CG1-CB 4.02Å; E260-A264 HydrophobicContact CB-CB 3.99Å; G261-A264 VanDerWaalsContact O-CB 3.25Å; G261-A264 WeakPolarHBondContact O-CB 3.4Å; G261-A264 PolarHBondContact O-N 3.18Å
265K89.8Confident87.9Confident63 Ų6355 Ų5527%0.27427%0.268SS..BIsolated β-bridgetrans-91.1152.9-173.5-60-159.8-177.6-168.50113.6D195 A263 S267 R268D195-K265 WeakPolarHBondContact OD1-CB 3.5Å; D195-K265 WeakPolarHBondContact OD1-CD 3.21Å; D195-K265 WeakPolarHBondContact OD2-CD 3.46Å; D195-K265 IonicContact OD2-NZ 3.61Å; D195-K265 PolarHBondContact OD2-NZ 3.06Å; A263-K265 PolarHBondContact O-N 2.78Å; K265-S267 VanDerWaalsContact C-N 3.3Å; K265-S267 PolarHBondContact O-N 2.84Å; K265-R268 PolarHBondContact O-N 3.16Å; K265-R268 VanDerWaalsContact O-N 3.14Å
266L89.2Confident87.6Confident4 Ų451.4 Ų51.42%0.02126%0.258CS..Hα-helixtrans-57.8-39.9177.4-17660.8000112.2F186 R196 L198 R268 L269 V270 M285 L286F186-L266 HydrophobicContact CE1-CB 4.42Å; F186-L266 HydrophobicContact CE1-CD2 4.3Å; F186-L266 HydrophobicContact CE1-CG 4.27Å; F186-L266 HydrophobicContact CZ-CD2 4.36Å; F186-L266 HydrophobicContact CZ-CG 4.17Å; R196-L266 HydrophobicContact CG-CB 4.49Å; R196-L266 HydrophobicContact CG-CD2 4.27Å; R196-L266 WeakPolarHBondContact O-CB 2.98Å; R196-L266 PolarHBondContact O-N 2.92Å; L198-L266 HydrophobicContact CD2-CB 4.42Å; L198-L266 HydrophobicContact CD2-CD1 3.93Å; L266-R268 PolarHBondContact O-N 2.97Å; L266-L269 PolarHBondContact O-N 3.39Å; L266-L269 VanDerWaalsContact O-N 3.13Å; L266-V270 HydrophobicContact CD1-CG2 4.25Å; L266-V270 HydrophobicContact CG-CG2 4.24Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.95Å; L266-M285 HydrophobicContact CD1-CE 4.39Å; L266-L286 HydrophobicContact CD2-CD2 3.74Å; L266-L286 HydrophobicContact CG-CD2 4.3Å
267S89.2Confident87.4Confident7 Ų760.3 Ų60.35%0.04930%0.296CS..Hα-helixtrans-57.6-33.9177.559.10000113.6D195 K265 R271D195-S267 VanDerWaalsContact CG-OG 3.26Å; D195-S267 WeakPolarHBondContact OD1-CB 3.41Å; D195-S267 PolarHBondContact OD1-N 3.31Å; D195-S267 PolarHBondContact OD1-OG 3.45Å; D195-S267 PolarHBondContact OD2-OG 3.42Å; K265-S267 VanDerWaalsContact C-N 3.3Å; K265-S267 PolarHBondContact O-N 2.84Å; S267-R271 WeakPolarHBondContact O-CB 3.34Å; S267-R271 VanDerWaalsContact O-CG 3.26Å; S267-R271 WeakPolarHBondContact O-CG 3.16Å; S267-R271 PolarHBondContact O-N 3.42Å
268R91.2Very high87.3Confident43 Ų4359.2 Ų59.216%0.16229%0.291CS..Hα-helixtrans-71.4-39.3179.4-67.1176.868.1-177.83.8111.5S224 F256 E260 A263 K265 L266 A272S224-R268 PolarHBondContact O-NH2 3.47Å; S224-R268 PolarHBondContact OG-NE 2.79Å; S224-R268 PolarHBondContact OG-NH2 2.9Å; F256-R268 HydrophobicContact CZ-CB 4.08Å; E260-R268 VanDerWaalsContact CD-NH2 3.26Å; E260-R268 IonicContact OE1-CZ 2.74Å; E260-R268 IonicContact OE1-NH1 3.5Å; E260-R268 IonicContact OE1-NH2 3.7Å; E260-R268 PolarHBondContact OE1-NH2 3.11Å; E260-R268 IonicContact OE2-CZ 3.5Å; E260-R268 IonicContact OE2-NH1 2.91Å; E260-R268 PolarHBondContact OE2-NH1 2.84Å; E260-R268 IonicContact OE2-NH2 3.56Å; E260-R268 PolarHBondContact OE2-NH2 2.87Å; A263-R268 VanDerWaalsContact O-CD 3.25Å; A263-R268 WeakPolarHBondContact O-CD 3.48Å; A263-R268 PolarHBondContact O-NH1 2.94Å; K265-R268 PolarHBondContact O-N 3.16Å; K265-R268 VanDerWaalsContact O-N 3.14Å; L266-R268 PolarHBondContact O-N 2.97Å; R268-A272 WeakPolarHBondContact O-CB 3.4Å; R268-A272 PolarHBondContact O-N 2.88Å; R268-A272 VanDerWaalsContact O-N 3.09Å
269L90.8Very high87.1Confident0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-67.9-45.7175.4-178.253.9000111L198 F206 V217 L221 L253 L266 R271 A272 L273 M285L198-L269 HydrophobicContact CD1-CB 4.39Å; L198-L269 HydrophobicContact CD1-CD2 4.21Å; L198-L269 HydrophobicContact CD2-CB 3.98Å; L198-L269 HydrophobicContact CD2-CD2 3.54Å; L198-L269 HydrophobicContact CD2-CG 4.43Å; F206-L269 HydrophobicContact CD2-CD1 3.98Å; F206-L269 HydrophobicContact CE2-CD1 4.09Å; V217-L269 HydrophobicContact CG1-CD1 4.32Å; L221-L269 HydrophobicContact CD1-CD1 4.33Å; L253-L269 HydrophobicContact CD1-CD2 3.89Å; L253-L269 HydrophobicContact CD2-CD1 3.83Å; L253-L269 HydrophobicContact CD2-CD2 4.2Å; L266-L269 PolarHBondContact O-N 3.39Å; L266-L269 VanDerWaalsContact O-N 3.13Å; L269-R271 PolarHBondContact O-N 3.3Å; L269-A272 PolarHBondContact O-N 2.94Å; L269-A272 VanDerWaalsContact O-N 3.13Å; L269-L273 HydrophobicContact CD1-CD1 4.47Å; L269-L273 HydrophobicContact CD1-CG 4.34Å; L269-L273 HydrophobicContact CG-CD1 4.23Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 2.92Å; L269-M285 HydrophobicContact CD2-CE 3.41Å; L269-M285 VanDerWaalsContact CD2-CE 3.41Å; L269-M285 HydrophobicContact CD2-SD 4.19Å; L269-M285 HydrophobicContact CG-CE 4.31Å
270V90.5Very high86.9Confident1 Ų155.1 Ų55.11%0.00628%0.275CS..Hα-helixtrans-59.2-46.2177.5171.60000111.3F186 F188 L266 A272 L273 E274 A282 L286F186-V270 HydrophobicContact CE2-CB 3.96Å; F186-V270 HydrophobicContact CE2-CG1 3.92Å; F186-V270 HydrophobicContact CE2-CG2 4.05Å; F186-V270 HydrophobicContact CZ-CB 4.34Å; F186-V270 HydrophobicContact CZ-CG2 3.97Å; F188-V270 HydrophobicContact CB-CG1 4.3Å; F188-V270 HydrophobicContact CD2-CG1 3.29Å; F188-V270 HydrophobicContact CE2-CG1 3.74Å; F188-V270 HydrophobicContact CG-CG1 3.94Å; L266-V270 HydrophobicContact CD1-CG2 4.25Å; L266-V270 HydrophobicContact CG-CG2 4.24Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.95Å; V270-A272 VanDerWaalsContact C-N 3.31Å; V270-A272 PolarHBondContact O-N 3.43Å; V270-L273 WeakPolarHBondContact O-CB 3.48Å; V270-L273 PolarHBondContact O-N 2.93Å; V270-L273 VanDerWaalsContact O-N 3.13Å; V270-E274 HydrophobicContact CG1-CG 4.49Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 3.23Å; V270-A282 HydrophobicContact CG1-CB 4.18Å; V270-L286 HydrophobicContact CG1-CD1 4.23Å; V270-L286 HydrophobicContact CG2-CD1 4.03Å; V270-L286 HydrophobicContact CG2-CD2 4.2Å; V270-L286 HydrophobicContact CG2-CG 4.2Å
271R88Confident87Confident153 Ų15353.4 Ų53.458%0.57727%0.267SS*.Hα-helixtrans-60-40.3175-74.9177.6-169173.65.5112.7S267 L269 L273 E274 D275S267-R271 WeakPolarHBondContact O-CB 3.34Å; S267-R271 VanDerWaalsContact O-CG 3.26Å; S267-R271 WeakPolarHBondContact O-CG 3.16Å; S267-R271 PolarHBondContact O-N 3.42Å; L269-R271 PolarHBondContact O-N 3.3Å; R271-L273 VanDerWaalsContact C-N 3.31Å; R271-L273 PolarHBondContact O-N 3.1Å; R271-E274 PolarHBondContact O-N 3.41Å; R271-D275 WeakPolarHBondContact O-CB 3.49Å; R271-D275 PolarHBondContact O-N 2.93Å
272A90.6Very high87.1Confident5 Ų551.5 Ų51.54%0.04125%0.247CC..Hα-helixtrans-68-32.2177.700000112.6V217 A220 L221 R268 L269 V270 S276V217-A272 HydrophobicContact CG1-CB 3.88Å; A220-A272 HydrophobicContact CB-CB 3.97Å; L221-A272 HydrophobicContact CD2-CB 3.6Å; L221-A272 HydrophobicContact CG-CB 3.65Å; R268-A272 WeakPolarHBondContact O-CB 3.4Å; R268-A272 PolarHBondContact O-N 2.88Å; R268-A272 VanDerWaalsContact O-N 3.09Å; L269-A272 PolarHBondContact O-N 2.94Å; L269-A272 VanDerWaalsContact O-N 3.13Å; V270-A272 VanDerWaalsContact C-N 3.31Å; V270-A272 PolarHBondContact O-N 3.43Å; A272-S276 WeakPolarHBondContact O-CB 3.38Å; A272-S276 PolarHBondContact O-N 3.04Å; A272-S276 VanDerWaalsContact O-N 3.17Å; A272-S276 PolarHBondContact O-OG 3.24Å
273L88.9Confident87.4Confident0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-69.4-42172.2-69.7171.9000111.5F206 V217 L269 V270 R271 S276 K277 L278 L281 A282 M285F206-L273 HydrophobicContact CD2-CD2 4.04Å; F206-L273 HydrophobicContact CE2-CD2 3.91Å; V217-L273 HydrophobicContact CG1-CD2 4.36Å; V217-L273 HydrophobicContact CG2-CD2 4Å; L269-L273 HydrophobicContact CD1-CD1 4.47Å; L269-L273 HydrophobicContact CD1-CG 4.34Å; L269-L273 HydrophobicContact CG-CD1 4.23Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 2.92Å; V270-L273 WeakPolarHBondContact O-CB 3.48Å; V270-L273 PolarHBondContact O-N 2.93Å; V270-L273 VanDerWaalsContact O-N 3.13Å; R271-L273 VanDerWaalsContact C-N 3.31Å; R271-L273 PolarHBondContact O-N 3.1Å; L273-S276 CarbonylContact O-C 3.55Å; L273-S276 PolarHBondContact O-N 3.45Å; L273-S276 VanDerWaalsContact O-N 3.16Å; L273-K277 PolarHBondContact O-N 3.17Å; L273-K277 VanDerWaalsContact O-N 3.12Å; L273-L278 HydrophobicContact CB-CB 4.33Å; L273-L278 HydrophobicContact CD2-CB 3.93Å; L273-L278 HydrophobicContact CD2-CD1 3.84Å; L273-L278 PolarHBondContact O-N 2.79Å; L273-L281 HydrophobicContact CD1-CG 4.31Å; L273-L281 HydrophobicContact CD2-CD2 3.82Å; L273-L281 HydrophobicContact CD2-CG 4.3Å; L273-A282 HydrophobicContact CB-CB 4.07Å; L273-A282 HydrophobicContact CD1-CB 4.04Å; L273-M285 HydrophobicContact CD1-SD 3.72Å
274E87.5Confident87.6Confident76 Ų7646.1 Ų46.136%0.35523%0.227SC..Hα-helixtrans-60.9-49174.1-72.4178.6118.200111.8F188 V270 R271 S276 K277F188-E274 VanDerWaalsContact CD2-CD 3.5Å; F188-E274 HydrophobicContact CD2-CG 4.06Å; F188-E274 WeakPolarHBondContact CD2-OE1 3.49Å; F188-E274 HydrophobicContact CE2-CG 3.61Å; F188-E274 WeakPolarHBondContact CE2-OE1 3.37Å; V270-E274 HydrophobicContact CG1-CG 4.49Å; V270-E274 WeakPolarHBondContact O-CG 3.44Å; V270-E274 PolarHBondContact O-N 3.23Å; R271-E274 PolarHBondContact O-N 3.41Å; E274-S276 PolarHBondContact O-N 3.14Å; E274-S276 VanDerWaalsContact O-N 3.16Å; E274-K277 PolarHBondContact O-N 2.76Å
275D85.2Confident87.4Confident98 Ų9846.7 Ų46.752%0.52423%0.23SC..Hα-helixtrans-56-32.1174.5-90.216.8000111.8A220 K223 R271A220-D275 HydrophobicContact CB-CB 4.26Å; K223-D275 IonicContact NZ-OD2 2.94Å; K223-D275 PolarHBondContact NZ-OD2 3.25Å; R271-D275 WeakPolarHBondContact O-CB 3.49Å; R271-D275 PolarHBondContact O-N 2.93Å
276S85.1Confident87.1Confident21 Ų2144.8 Ų44.815%0.14722%0.222CC..THydrogen-bonded Turntrans-91.66.6-179.8-53.40000113.5V217 A272 L273 E274 L278V217-S276 WeakPolarHBondContact CA-OG 3.12Å; V217-S276 WeakPolarHBondContact CG2-OG 3.33Å; A272-S276 WeakPolarHBondContact O-CB 3.38Å; A272-S276 PolarHBondContact O-N 3.04Å; A272-S276 VanDerWaalsContact O-N 3.17Å; A272-S276 PolarHBondContact O-OG 3.24Å; L273-S276 CarbonylContact O-C 3.55Å; L273-S276 PolarHBondContact O-N 3.45Å; L273-S276 VanDerWaalsContact O-N 3.16Å; E274-S276 PolarHBondContact O-N 3.14Å; E274-S276 VanDerWaalsContact O-N 3.16Å; S276-L278 PolarHBondContact O-N 2.99Å
277K86Confident86.6Confident187 Ų18747.7 Ų47.781%0.81325%0.253SS*.THydrogen-bonded Turntrans58.628-177.4-53.4-179.1179.4-1790114.1L273 E274 T279L273-K277 PolarHBondContact O-N 3.17Å; L273-K277 VanDerWaalsContact O-N 3.12Å; E274-K277 PolarHBondContact O-N 2.76Å; K277-T279 VanDerWaalsContact C-N 3.34Å; K277-T279 PolarHBondContact O-N 3.16Å
278L87.7Confident85.8Confident29 Ų2947.8 Ų47.815%0.15225%0.253CS..  trans-99.547.9176.8-65.9174.6000111.2V210 Q213 V217 L273 S276 S280 L281 A282V210-L278 HydrophobicContact CG2-CD1 3.72Å; Q213-L278 HydrophobicContact CB-CD1 3.88Å; Q213-L278 HydrophobicContact CB-CD2 4.46Å; Q213-L278 HydrophobicContact CG-CD2 4.37Å; V217-L278 HydrophobicContact CG2-CD1 3.67Å; L273-L278 HydrophobicContact CB-CB 4.33Å; L273-L278 HydrophobicContact CD2-CB 3.93Å; L273-L278 HydrophobicContact CD2-CD1 3.84Å; L273-L278 PolarHBondContact O-N 2.79Å; S276-L278 PolarHBondContact O-N 2.99Å; L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.4Å; L278-L281 HydrophobicContact CB-CB 4.28Å; L278-L281 WeakPolarHBondContact O-CB 3.4Å; L278-L281 PolarHBondContact O-N 3.48Å; L278-L281 VanDerWaalsContact O-N 3.13Å; L278-A282 PolarHBondContact O-N 3.47Å; L278-A282 VanDerWaalsContact O-N 3.14Å
279T84.6Confident83.9Confident52 Ų5254 Ų5432%0.31928%0.284SS..Hα-helixtrans-62.4-37.5-174.2-47.20000112.4F188 K277 L281 A282 E283F188-T279 HydrophobicContact CE2-CG2 4.29Å; F188-T279 HydrophobicContact CZ-CG2 3.82Å; K277-T279 VanDerWaalsContact C-N 3.34Å; K277-T279 PolarHBondContact O-N 3.16Å; T279-L281 VanDerWaalsContact C-N 3.29Å; T279-L281 PolarHBondContact O-N 3.14Å; T279-A282 WeakPolarHBondContact O-CB 3.39Å; T279-A282 PolarHBondContact O-N 2.99Å; T279-A282 VanDerWaalsContact O-N 3.16Å; T279-E283 WeakPolarHBondContact O-CG 3.43Å; T279-E283 PolarHBondContact O-N 2.81Å
280S83.4Confident81.8Confident75 Ų7558.6 Ų58.652%0.52431%0.313SS..Hα-helixtrans-63.9-32.8176.355.30000113.1L278 N284L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.4Å; S280-N284 PolarHBondContact O-N 3.2Å; S280-N284 PolarHBondContact O-ND2 3.35Å
281L86.3Confident79.5Confident11 Ų1169.3 Ų69.36%0.05835%0.354CS..Hα-helixtrans-71.4-40.6173.9-176.955000110.9F206 V210 L273 L278 T279 N284 M285F206-L281 HydrophobicContact CD2-CD2 4.33Å; V210-L281 HydrophobicContact CB-CD2 3.98Å; L273-L281 HydrophobicContact CD1-CG 4.31Å; L273-L281 HydrophobicContact CD2-CD2 3.82Å; L273-L281 HydrophobicContact CD2-CG 4.3Å; L278-L281 HydrophobicContact CB-CB 4.28Å; L278-L281 WeakPolarHBondContact O-CB 3.4Å; L278-L281 PolarHBondContact O-N 3.48Å; L278-L281 VanDerWaalsContact O-N 3.13Å; T279-L281 VanDerWaalsContact C-N 3.29Å; T279-L281 PolarHBondContact O-N 3.14Å; L281-N284 PolarHBondContact O-N 3.06Å; L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CG-SD 4.41Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.4Å; L281-M285 PolarHBondContact O-N 3.41Å
282A86.7Confident76.9Confident0 Ų074.7 Ų74.70%039%0.386CS..Hα-helixtrans-62.6-41.7174.400000112F188 V270 L273 L278 T279 M285 L286F188-A282 HydrophobicContact CE1-CB 4.41Å; F188-A282 HydrophobicContact CE2-CB 3.72Å; F188-A282 HydrophobicContact CZ-CB 3.56Å; V270-A282 HydrophobicContact CG1-CB 4.18Å; L273-A282 HydrophobicContact CB-CB 4.07Å; L273-A282 HydrophobicContact CD1-CB 4.04Å; L278-A282 PolarHBondContact O-N 3.47Å; L278-A282 VanDerWaalsContact O-N 3.14Å; T279-A282 WeakPolarHBondContact O-CB 3.39Å; T279-A282 PolarHBondContact O-N 2.99Å; T279-A282 VanDerWaalsContact O-N 3.16Å; A282-M285 PolarHBondContact O-N 2.92Å; A282-L286 WeakPolarHBondContact O-CB 3.31Å; A282-L286 VanDerWaalsContact O-CG 3.25Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.47Å
283E85.7Confident76.2Confident43 Ų4378.2 Ų78.220%0.20140%0.403CS..Hα-helixtrans-57.3-50.4173-74.2165.9-169.600111.7F188 Q189 T279 M285 L286 G287 M288F188-E283 HydrophobicContact CE1-CG 3.79Å; F188-E283 HydrophobicContact CZ-CG 4.09Å; Q189-E283 PolarHBondContact NE2-OE1 3.31Å; T279-E283 WeakPolarHBondContact O-CG 3.43Å; T279-E283 PolarHBondContact O-N 2.81Å; E283-M285 VanDerWaalsContact C-N 3.32Å; E283-M285 PolarHBondContact O-N 2.88Å; E283-L286 CarbonylContact O-C 3.58Å; E283-L286 PolarHBondContact O-N 3.22Å; E283-L286 VanDerWaalsContact O-N 3.08Å; E283-G287 PolarHBondContact O-N 2.85Å; E283-M288 HydrophobicContact CB-CB 4.03Å; E283-M288 HydrophobicContact CG-CB 4.34Å; E283-M288 HydrophobicContact CG-SD 4.27Å; E283-M288 PolarHBondContact O-N 3.09Å
284N84.9Confident75.5Confident98 Ų9882.3 Ų82.352%0.52442%0.424SS..Hα-helixtrans-59.6-42.3178.4-73-23.6000112.1S280 L281 L286 G287S280-N284 PolarHBondContact O-N 3.2Å; S280-N284 PolarHBondContact O-ND2 3.35Å; L281-N284 PolarHBondContact O-N 3.06Å; N284-L286 VanDerWaalsContact C-N 3.26Å; N284-L286 PolarHBondContact O-N 2.73Å; N284-G287 PolarHBondContact O-N 3.04Å; N284-G287 VanDerWaalsContact O-N 3.16Å
285M84.1Confident74.8Confident15 Ų1582.7 Ų82.77%0.07443%0.428CS..Hα-helixtrans-66.3-28.9177-70.5-17568.900113D202 S205 F206 L266 L269 L273 L281 A282 E283 G287D202-M285 HydrophobicContact CB-CE 3.52Å; D202-M285 WeakPolarHBondContact O-CE 3.32Å; S205-M285 WeakPolarHBondContact OG-CG 3.14Å; F206-M285 HydrophobicContact CB-CE 4.38Å; F206-M285 HydrophobicContact CB-SD 4.19Å; L266-M285 HydrophobicContact CD1-CE 4.39Å; L269-M285 HydrophobicContact CD2-CE 3.41Å; L269-M285 VanDerWaalsContact CD2-CE 3.41Å; L269-M285 HydrophobicContact CD2-SD 4.19Å; L269-M285 HydrophobicContact CG-CE 4.31Å; L273-M285 HydrophobicContact CD1-SD 3.72Å; L281-M285 HydrophobicContact CD1-CG 4.46Å; L281-M285 HydrophobicContact CG-SD 4.41Å; L281-M285 VanDerWaalsContact O-CG 3.26Å; L281-M285 WeakPolarHBondContact O-CG 3.4Å; L281-M285 PolarHBondContact O-N 3.41Å; A282-M285 PolarHBondContact O-N 2.92Å; E283-M285 VanDerWaalsContact C-N 3.32Å; E283-M285 PolarHBondContact O-N 2.88Å; M285-G287 VanDerWaalsContact C-N 3.32Å
286L84.4Confident74.2Confident22 Ų2281.8 Ų81.812%0.11542%0.422CS..THydrogen-bonded Turntrans-89.52.5176.4-65.9170.3000113.2F186 F188 F193 L266 V270 A282 E283 N284 M288F186-L286 HydrophobicContact CE2-CD1 4.46Å; F186-L286 HydrophobicContact CE2-CD2 4.46Å; F186-L286 HydrophobicContact CZ-CD1 4.45Å; F186-L286 HydrophobicContact CZ-CD2 3.68Å; F188-L286 HydrophobicContact CB-CD1 3.8Å; F188-L286 HydrophobicContact CD1-CD1 3.22Å; F188-L286 HydrophobicContact CD2-CD1 4.27Å; F188-L286 HydrophobicContact CE1-CD1 3.76Å; F188-L286 HydrophobicContact CG-CD1 3.5Å; F188-L286 HydrophobicContact CZ-CD1 4.47Å; F193-L286 HydrophobicContact CB-CD2 4.17Å; F193-L286 HydrophobicContact CD1-CB 4.13Å; F193-L286 HydrophobicContact CD1-CD2 3.83Å; F193-L286 HydrophobicContact CD1-CG 4.4Å; F193-L286 HydrophobicContact CD2-CD1 4.05Å; F193-L286 HydrophobicContact CD2-CD2 4.34Å; F193-L286 HydrophobicContact CE1-CB 3.72Å; F193-L286 HydrophobicContact CE1-CD2 4.3Å; F193-L286 HydrophobicContact CE1-CG 4.4Å; F193-L286 HydrophobicContact CE2-CB 4.49Å; F193-L286 HydrophobicContact CE2-CD1 3.94Å; F193-L286 HydrophobicContact CG-CD1 4.38Å; F193-L286 HydrophobicContact CG-CD2 3.85Å; F193-L286 HydrophobicContact CZ-CB 3.92Å; F193-L286 HydrophobicContact CZ-CD1 4.2Å; L266-L286 HydrophobicContact CD2-CD2 3.74Å; L266-L286 HydrophobicContact CG-CD2 4.3Å; V270-L286 HydrophobicContact CG1-CD1 4.23Å; V270-L286 HydrophobicContact CG2-CD1 4.03Å; V270-L286 HydrophobicContact CG2-CD2 4.2Å; V270-L286 HydrophobicContact CG2-CG 4.2Å; A282-L286 WeakPolarHBondContact O-CB 3.31Å; A282-L286 VanDerWaalsContact O-CG 3.25Å; A282-L286 WeakPolarHBondContact O-CG 3.44Å; A282-L286 PolarHBondContact O-N 3.47Å; E283-L286 CarbonylContact O-C 3.58Å; E283-L286 PolarHBondContact O-N 3.22Å; E283-L286 VanDerWaalsContact O-N 3.08Å; N284-L286 VanDerWaalsContact C-N 3.26Å; N284-L286 PolarHBondContact O-N 2.73Å; L286-M288 HydrophobicContact CB-CG 4.16Å; L286-M288 PolarHBondContact O-N 3.46Å
287G78.6Confident73.5Confident65 Ų6585.6 Ų85.667%0.6744%0.439SS*.THydrogen-bonded Turntrans64.922.5-177.200000113.4E283 N284 M285 Q289E283-G287 PolarHBondContact O-N 2.85Å; N284-G287 PolarHBondContact O-N 3.04Å; N284-G287 VanDerWaalsContact O-N 3.16Å; M285-G287 VanDerWaalsContact C-N 3.32Å; G287-Q289 PolarHBondContact O-N 2.87Å
288M70.8Confident72.7Confident9 Ų978.8 Ų78.84%0.04441%0.414CS..  trans-77.5112.2173.2-64.3-179.911500108.2F188 Q189 R191 F193 E283 L286F188-M288 HydrophobicContact CD1-CE 4.25Å; F188-M288 HydrophobicContact CD1-SD 3.48Å; F188-M288 WeakPolarHBondContact CD1-SD 3.47Å; F188-M288 HydrophobicContact CE1-SD 3.52Å; F188-M288 VanDerWaalsContact CE1-SD 3.52Å; Q189-M288 HydrophobicContact CB-CE 4.3Å; R191-M288 HydrophobicContact CB-CE 3.89Å; R191-M288 HydrophobicContact CG-CE 3.57Å; F193-M288 HydrophobicContact CE1-CG 4.27Å; F193-M288 HydrophobicContact CE2-CE 3.83Å; F193-M288 HydrophobicContact CE2-SD 4Å; F193-M288 HydrophobicContact CZ-CE 3.58Å; F193-M288 HydrophobicContact CZ-CG 3.62Å; F193-M288 HydrophobicContact CZ-SD 3.59Å; F193-M288 VanDerWaalsContact CZ-SD 3.59Å; E283-M288 HydrophobicContact CB-CB 4.03Å; E283-M288 HydrophobicContact CG-CB 4.34Å; E283-M288 HydrophobicContact CG-SD 4.27Å; E283-M288 PolarHBondContact O-N 3.09Å; L286-M288 HydrophobicContact CB-CG 4.16Å; L286-M288 PolarHBondContact O-N 3.46Å
289Q52.2Low71.6Confident174 Ų17482.4 Ų82.481%0.81343%0.433SS*.  trans-65.9144171.5-72.1-154.7-23.400110.7G287 R291G287-Q289 PolarHBondContact O-N 2.87Å; Q289-R291 PolarHBondContact O-N 3.4Å
290P46.2Very low70.6Confident96 Ų9684.7 Ų84.762%0.62344%0.442SS*.  trans-56.5134.8175.1-18.429.3000109.7E292P290-E292 PolarHBondContact O-N 3.14Å
291R43Very low69.6Low227 Ų22785.5 Ų85.586%0.85744%0.435SS*.  trans-68.6114.5160.7-83177.8162.3171.9-5.8106.9Q289Q289-R291 PolarHBondContact O-N 3.4Å
292E32.1Very low68.1Low266 Ų26692.3 Ų92.3100%1.24347%0.47SS*.  trans-54.60162.8-73.3-176.5105.600111.5P290P290-E292 PolarHBondContact O-N 3.14Å

Retrieved 292 of 292 residues in 345.5 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).