A0A060WDE7_ONCMY Loading...

Mitochondrial inner membrane protease ATP23

AlphaFold DB , UniProt , Accession A0A060WDE7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene atp23, Length 234 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
1M40Very low45.5Very low234 Ų234149.9 Ų149.9100%1.15374%0.739SS**  0103.90-78.1167.2175.400106.3
2D35.2Very low47.8Very low172 Ų172137.7 Ų137.792%0.9268%0.68SS**  trans-144.6106.2154.8-139.1-7000105.8
3Q38Very low50.2Low165 Ų165131.4 Ų131.477%0.77164%0.644SS**  trans-91.4139.8-168.3-72.1176.3-17.900109.6
4N42.2Very low52.4Low155 Ų155129.9 Ų129.983%0.82964%0.641SS**  trans53.187.6155.7-73.4-6.2000118
5K31.3Very low54.2Low202 Ų202122.3 Ų122.388%0.87860%0.603SS**PPolyproline II helixtrans-75.3127.8137.6-85.2-177.1176-179.80107.6Q7K5-Q7 PolarHBondContact O-N 3.14Å
6P35.4Very low56Low119 Ų119115.9 Ų115.977%0.77357%0.571SS**PPolyproline II helixtrans-58.8129.3166.9-10.524.5000107.1E8P6-E8 PolarHBondContact O-N 3.29Å; P6-E8 VanDerWaalsContact O-N 3.14Å
7Q38.1Very low57.3Low180 Ų180112.9 Ų112.984%0.84156%0.563SS**PPolyproline II helixtrans-59.1118.5162-76.4-179.6-25.300105.9K5 E9K5-Q7 PolarHBondContact O-N 3.14Å; Q7-E9 PolarHBondContact O-N 2.97Å
8E45.3Very low58.5Low182 Ų182111.8 Ų111.885%0.8556%0.556SS**  trans-59.3106.9170.4-121.9176.5179.700106.8P6 D10P6-E8 PolarHBondContact O-N 3.29Å; P6-E8 VanDerWaalsContact O-N 3.14Å; E8-D10 PolarHBondContact O-N 3.25Å
9E53.8Low59.4Low145 Ų145108.9 Ų108.968%0.67854%0.538SS*.  trans-67.2119.7-174.3-64.5179.5170.700109.8Q7 Y11Q7-E9 PolarHBondContact O-N 2.97Å; E9-Y11 HydrophobicContact CB-CD2 3.78Å; E9-Y11 HydrophobicContact CB-CE2 3.44Å; E9-Y11 VanDerWaalsContact CB-CE2 3.44Å; E9-Y11 HydrophobicContact CG-CE2 4.16Å; E9-Y11 PolarHBondContact O-N 2.78Å; E9-Y11 VanDerWaalsContact O-N 3.12Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.41Å
10D66.3Low59.5Low43 Ų43108.5 Ų108.523%0.2354%0.537CS..  trans-91.672.7-164.8-173.761.5000111.7E8 V181 K183E8-D10 PolarHBondContact O-N 3.25Å; D10-V181 VanDerWaalsContact O-O 3.05Å; D10-K183 HydrophobicContact CB-CD 4.33Å; D10-K183 VanDerWaalsContact CG-CD 3.46Å; D10-K183 WeakPolarHBondContact OD1-CD 3.34Å; D10-K183 WeakPolarHBondContact OD1-CE 3.33Å; D10-K183 IonicContact OD1-NZ 2.78Å; D10-K183 PolarHBondContact OD1-NZ 3.4Å; D10-K183 WeakPolarHBondContact OD2-CB 3.07Å; D10-K183 VanDerWaalsContact OD2-CD 3.24Å; D10-K183 WeakPolarHBondContact OD2-CD 3Å; D10-K183 WeakPolarHBondContact OD2-CG 3.24Å; D10-K183 PolarHBondContact OD2-N 2.75Å
11Y74.4Confident59.2Low52 Ų52106.7 Ų106.720%0.20454%0.535CS..SBendtrans-108.312.1-173.4-56.4-44.4000115.5E9 Y13 F129 V181 R182E9-Y11 HydrophobicContact CB-CD2 3.78Å; E9-Y11 HydrophobicContact CB-CE2 3.44Å; E9-Y11 VanDerWaalsContact CB-CE2 3.44Å; E9-Y11 HydrophobicContact CG-CE2 4.16Å; E9-Y11 PolarHBondContact O-N 2.78Å; E9-Y11 VanDerWaalsContact O-N 3.12Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.41Å; Y11-Y13 VanDerWaalsContact C-N 3.26Å; Y11-Y13 HydrophobicContact CD2-CD2 4.47Å; Y11-Y13 HydrophobicContact CD2-CE2 4.06Å; Y11-Y13 HydrophobicContact CG-CE2 4.4Å; Y11-Y13 PolarHBondContact O-N 3.12Å; Y11-F129 AromaticContact CD1-CD1 3.49Å; Y11-F129 HydrophobicContact CD1-CD1 3.49Å; Y11-F129 VanDerWaalsContact CD1-CD1 3.49Å; Y11-F129 HydrophobicContact CD1-CE1 4.17Å; Y11-F129 HydrophobicContact CD1-CG 4.5Å; Y11-F129 AromaticContact CD2-CD1 3.45Å; Y11-F129 HydrophobicContact CD2-CD1 3.45Å; Y11-F129 VanDerWaalsContact CD2-CD1 3.45Å; Y11-F129 AromaticContact CD2-CE1 3.57Å; Y11-F129 HydrophobicContact CD2-CE1 3.57Å; Y11-F129 HydrophobicContact CD2-CG 4.48Å; Y11-F129 HydrophobicContact CE1-CB 3.84Å; Y11-F129 AromaticContact CE1-CD1 3.54Å; Y11-F129 HydrophobicContact CE1-CD1 3.54Å; Y11-F129 HydrophobicContact CE1-CG 4.14Å; Y11-F129 HydrophobicContact CE2-CB 4.36Å; Y11-F129 AromaticContact CE2-CD1 3.47Å; Y11-F129 HydrophobicContact CE2-CD1 3.47Å; Y11-F129 VanDerWaalsContact CE2-CD1 3.47Å; Y11-F129 AromaticContact CE2-CE1 3.97Å; Y11-F129 HydrophobicContact CE2-CE1 3.97Å; Y11-F129 HydrophobicContact CE2-CG 4.1Å; Y11-F129 AromaticContact CG-CD1 3.44Å; Y11-F129 HydrophobicContact CG-CD1 3.44Å; Y11-F129 VanDerWaalsContact CG-CD1 3.44Å; Y11-F129 AromaticContact CG-CE1 3.66Å; Y11-F129 HydrophobicContact CG-CE1 3.66Å; Y11-F129 AromaticContact CZ-CD1 3.54Å; Y11-F129 AromaticContact CZ-CG 3.94Å; Y11-V181 CarbonylContact C-O 3.57Å; Y11-R182 VanDerWaalsContact CA-NH1 3.29Å; Y11-R182 PolarHBondContact O-NH1 2.63Å
12G73.3Confident59.6Low3 Ų399.6 Ų99.63%0.03152%0.522CS..SBendtrans78.35.4-178.200000114.2N14 L15 V181G12-N14 VanDerWaalsContact C-OD1 3.27Å; G12-N14 WeakPolarHBondContact CA-OD1 3.39Å; G12-N14 PolarHBondContact O-N 2.93Å; G12-N14 VanDerWaalsContact O-N 3.11Å; G12-N14 PolarHBondContact O-OD1 2.73Å; G12-L15 VanDerWaalsContact O-CB 3.27Å; G12-L15 WeakPolarHBondContact O-CB 3.14Å; G12-L15 WeakPolarHBondContact O-CG 3.45Å; G12-L15 PolarHBondContact O-N 3.25Å; G12-V181 PolarHBondContact N-O 3.15Å
13Y79.8Confident59.6Low56 Ų5699.2 Ų99.222%0.2251%0.512CS..G310 helixtrans-60.1-21177.5-72.9-63.5000113.3Y11 L15 F16 N20 D88 T90 F129Y11-Y13 VanDerWaalsContact C-N 3.26Å; Y11-Y13 HydrophobicContact CD2-CD2 4.47Å; Y11-Y13 HydrophobicContact CD2-CE2 4.06Å; Y11-Y13 HydrophobicContact CG-CE2 4.4Å; Y11-Y13 PolarHBondContact O-N 3.12Å; Y13-L15 PolarHBondContact O-N 3.19Å; Y13-F16 CarbonylContact O-C 3.54Å; Y13-F16 PolarHBondContact O-N 2.8Å; Y13-F16 VanDerWaalsContact O-N 3.14Å; Y13-N20 PolarHBondContact O-ND2 2.93Å; Y13-D88 HydrophobicContact CE1-CB 4.44Å; Y13-D88 PolarHBondContact OH-OD1 2.88Å; Y13-T90 PolarHBondContact OH-OG1 2.79Å; Y13-F129 HydrophobicContact CE2-CE1 4.4Å
14N80Confident59.8Low111 Ų111101.6 Ų101.659%0.59452%0.52SS*.G310 helixtrans-63.6-20.817261.4-53.5000113.5G12 F16G12-N14 VanDerWaalsContact C-OD1 3.27Å; G12-N14 WeakPolarHBondContact CA-OD1 3.39Å; G12-N14 PolarHBondContact O-N 2.93Å; G12-N14 VanDerWaalsContact O-N 3.11Å; G12-N14 PolarHBondContact O-OD1 2.73Å; N14-F16 PolarHBondContact O-N 3.48Å
15L80.4Confident59.4Low15 Ų15102 Ų1028%0.07952%0.518CS..G310 helixtrans-75.2-13.4175.4-57.6169.4000112.6G12 Y13 P17 C79 D80 V83 V181G12-L15 VanDerWaalsContact O-CB 3.27Å; G12-L15 WeakPolarHBondContact O-CB 3.14Å; G12-L15 WeakPolarHBondContact O-CG 3.45Å; G12-L15 PolarHBondContact O-N 3.25Å; Y13-L15 PolarHBondContact O-N 3.19Å; L15-P17 WeakPolarHBondContact O-CD 3.47Å; L15-C79 WeakPolarHBondContact O-CB 3.37Å; L15-D80 HydrophobicContact CB-CB 4.47Å; L15-D80 HydrophobicContact CD2-CB 3.98Å; L15-D80 PolarHBondContact O-N 2.96Å; L15-V83 HydrophobicContact CB-CG2 4.12Å; L15-V83 HydrophobicContact CD1-CG1 3.83Å; L15-V181 HydrophobicContact CD1-CG1 4.32Å
16F82.6Confident59.8Low20 Ų20102.4 Ų102.49%0.08852%0.519CS..  trans-122.773-177.5-55.9-80.2000110.2Y13 N14 E18 R19 C79 V83 V95Y13-F16 CarbonylContact O-C 3.54Å; Y13-F16 PolarHBondContact O-N 2.8Å; Y13-F16 VanDerWaalsContact O-N 3.14Å; N14-F16 PolarHBondContact O-N 3.48Å; F16-E18 PolarHBondContact O-N 2.77Å; F16-R19 HydrophobicContact CB-CG 4.2Å; F16-R19 WeakPolarHBondContact O-CB 3.39Å; F16-R19 PolarHBondContact O-N 3.45Å; F16-C79 HydrophobicContact CD1-CB 4.41Å; F16-C79 VanDerWaalsContact CD1-SG 3.58Å; F16-V83 HydrophobicContact CE1-CG2 4.4Å; F16-V83 HydrophobicContact CZ-CG2 4.35Å; F16-V95 HydrophobicContact CD1-CB 4.01Å; F16-V95 HydrophobicContact CD1-CG1 3.67Å; F16-V95 HydrophobicContact CD1-CG2 4.33Å; F16-V95 HydrophobicContact CE1-CB 3.91Å; F16-V95 HydrophobicContact CE1-CG1 3.87Å
17P77.4Confident59.8Low66 Ų6698.7 Ų98.743%0.42950%0.503SS..Hα-helixtrans-62.7-27-170.124.5-34.3000114.2L15 R19 N20 S21L15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-R19 PolarHBondContact O-N 3.06Å; P17-N20 PolarHBondContact O-N 3.29Å; P17-S21 PolarHBondContact O-OG 2.71Å
18E80Confident60.2Low93 Ų9396.5 Ų96.544%0.43551%0.507SS..Hα-helixtrans-63.7-20.4175.6-68.5-169.8-15600113.1F16 E77 D78F16-E18 PolarHBondContact O-N 2.77Å; E18-E77 HydrophobicContact CB-CB 4.44Å; E18-E77 HydrophobicContact CB-CG 4.48Å; E18-E77 HydrophobicContact CG-CB 4.49Å; E18-D78 PolarHBondContact OE1-N 2.83Å
19R75.1Confident60.2Low57 Ų5791.8 Ų91.822%0.21549%0.487CS..Hα-helixtrans-86.6-27.2-179.3-62.4-169.5147-168.1-17.6114.5F16 P17 E77 D88 V95F16-R19 HydrophobicContact CB-CG 4.2Å; F16-R19 WeakPolarHBondContact O-CB 3.39Å; F16-R19 PolarHBondContact O-N 3.45Å; P17-R19 PolarHBondContact O-N 3.06Å; R19-E77 WeakPolarHBondContact CG-OE2 3.27Å; R19-E77 IonicContact NE-OE1 3.41Å; R19-E77 PolarHBondContact NE-OE1 3.48Å; R19-E77 IonicContact NE-OE2 3.89Å; R19-D88 IonicContact CZ-OD2 3.68Å; R19-D88 IonicContact NH1-OD2 3.19Å; R19-D88 PolarHBondContact NH1-OD2 3.41Å; R19-V95 VanDerWaalsContact NE-CG2 3.35Å; R19-V95 VanDerWaalsContact NH2-CG2 3.32Å
20N61.8Low59.9Low100 Ų10088.5 Ų88.554%0.53549%0.485SS..Hα-helixtrans-86-17.3180-62.4-37.7000112.5Y13 P17 G22Y13-N20 PolarHBondContact O-ND2 2.93Å; P17-N20 PolarHBondContact O-N 3.29Å; N20-G22 PolarHBondContact O-N 2.68Å
21S53.6Low58.7Low70 Ų7094.9 Ų94.949%0.4951%0.513SS..  trans-90.487.6-177.337.20000110.4P17 K23P17-S21 PolarHBondContact O-OG 2.71Å; S21-K23 PolarHBondContact O-N 3.48Å
22G46.8Very low57.4Low85 Ų8595.6 Ų95.688%0.87653%0.526SS*.  trans-62.824.8168.500000115.2N20N20-G22 PolarHBondContact O-N 2.68Å
23K37Very low56.3Low164 Ų16499.7 Ų99.771%0.71355%0.546SS*.SBendtrans-138.9106.7177.8-74.1-176.5179.1175.70109.1S21 Q25S21-K23 PolarHBondContact O-N 3.48Å; K23-Q25 PolarHBondContact O-N 3.4Å
24F40.6Very low54.9Low215 Ų215104.2 Ų104.294%0.94357%0.567SS**  trans-52.892153.5-94.2-95.1000108.7K26F24-K26 PolarHBondContact O-N 3.23Å
25Q35.1Very low53.9Low165 Ų165103.1 Ų103.177%0.77157%0.565SS**  trans-77.697.9163.3-74-110-5.600106K23 G27K23-Q25 PolarHBondContact O-N 3.4Å; Q25-G27 PolarHBondContact O-N 3.04Å
26K39.4Very low53Low210 Ų210107.4 Ų107.491%0.91358%0.583SS**  trans-6375.5160.7-90.5-177.7172.4177.50108.4F24F24-K26 PolarHBondContact O-N 3.23Å
27G35.1Very low52.4Low41 Ų41109 Ų10942%0.42359%0.593SS.*  trans-86.5153.8160.200000109.3Q25 I29Q25-G27 PolarHBondContact O-N 3.04Å; G27-I29 VanDerWaalsContact C-N 3.34Å; G27-I29 WeakPolarHBondContact O-CG1 3.49Å; G27-I29 PolarHBondContact O-N 3.19Å
28S46.6Very low52.6Low133 Ų133111.8 Ų111.893%0.9360%0.6SS**SBendtrans-61.175.9-175.2176.20000114.3
29I45.8Very low53.2Low84 Ų84111.6 Ų111.643%0.43160%0.597SS.*  trans-129.536.6-169.6-43.7157.9000112.1G27 E31 L33G27-I29 VanDerWaalsContact C-N 3.34Å; G27-I29 WeakPolarHBondContact O-CG1 3.49Å; G27-I29 PolarHBondContact O-N 3.19Å; I29-E31 PolarHBondContact O-N 3.14Å; I29-L33 HydrophobicContact CB-CD1 3.95Å; I29-L33 HydrophobicContact CD1-CD1 4.36Å; I29-L33 HydrophobicContact CG2-CB 4.18Å; I29-L33 HydrophobicContact CG2-CD1 3.37Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å
30A47.2Very low54.1Low76 Ų76109.1 Ų109.163%0.62859%0.589SS**THydrogen-bonded Turntrans-80.5-8.8-172.700000115.7F34A30-F34 HydrophobicContact CB-CE2 4.49Å; A30-F34 WeakPolarHBondContact O-CD2 3.28Å; A30-F34 WeakPolarHBondContact O-CE2 3.48Å
31E41.5Very low55.8Low177 Ų177106.7 Ų106.783%0.82757%0.574SS**THydrogen-bonded Turntrans-109.2-30.9-178.5-89.8173.814800114.2I29 T35I29-E31 PolarHBondContact O-N 3.14Å; E31-T35 PolarHBondContact O-OG1 3.3Å
32S47.1Very low57.8Low67 Ų67107 Ų10747%0.46957%0.573SS.*Hα-helixtrans-85.6-37.7179.4179.70000112.6F34 T35 F36S32-F34 VanDerWaalsContact C-N 3.3Å; S32-F34 PolarHBondContact O-N 3.11Å; S32-T35 PolarHBondContact O-N 3.45Å; S32-T35 PolarHBondContact O-OG1 2.95Å; S32-F36 WeakPolarHBondContact O-CD2 3.34Å; S32-F36 PolarHBondContact O-N 3.41Å
33L49.2Very low60.2Low88 Ų88103.6 Ų103.646%0.46153%0.534SS..Hα-helixtrans-65.9-33.5179.6-126.6111.3000112I29 N37I29-L33 HydrophobicContact CB-CD1 3.95Å; I29-L33 HydrophobicContact CD1-CD1 4.36Å; I29-L33 HydrophobicContact CG2-CB 4.18Å; I29-L33 HydrophobicContact CG2-CD1 3.37Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CB 3.35Å; L33-N37 WeakPolarHBondContact O-CB 3.4Å; L33-N37 PolarHBondContact O-N 3.24Å
34F50.9Low63.1Low151 Ų15195.8 Ų95.866%0.66250%0.5SS*.Hα-helixtrans-76.5-31-177.2-76.8-94.5000113.2A30 S32 H38A30-F34 HydrophobicContact CB-CE2 4.49Å; A30-F34 WeakPolarHBondContact O-CD2 3.28Å; A30-F34 WeakPolarHBondContact O-CE2 3.48Å; S32-F34 VanDerWaalsContact C-N 3.3Å; S32-F34 PolarHBondContact O-N 3.11Å; F34-H38 WeakPolarHBondContact O-CB 3.5Å; F34-H38 PolarHBondContact O-N 3.49Å
35T59.3Low65.8Low89 Ų8988.5 Ų88.555%0.54647%0.469SS..Hα-helixtrans-84.6-44-175.344.10000112.8E31 S32 K39E31-T35 PolarHBondContact O-OG1 3.3Å; S32-T35 PolarHBondContact O-N 3.45Å; S32-T35 PolarHBondContact O-OG1 2.95Å; T35-K39 WeakPolarHBondContact O-CB 3.34Å; T35-K39 PolarHBondContact O-N 3.19Å
36F60.4Low68.8Low104 Ų10485.6 Ų85.646%0.45645%0.454SS..Hα-helixtrans-72.7-42.9178.1-73.5-76.6000112.5S32 H38 K39 C40S32-F36 WeakPolarHBondContact O-CD2 3.34Å; S32-F36 PolarHBondContact O-N 3.41Å; F36-H38 VanDerWaalsContact C-N 3.33Å; F36-H38 PolarHBondContact O-N 3.12Å; F36-K39 PolarHBondContact O-N 2.89Å; F36-C40 PolarHBondContact O-N 3.31Å
37N70Confident71.6Confident55 Ų5575.6 Ų75.629%0.29441%0.411SS..Hα-helixtrans-62.7-42.9175.4-167.8-82.1000110.6L33 K39 C40 Q41 C76 Q98L33-N37 WeakPolarHBondContact O-CB 3.4Å; L33-N37 PolarHBondContact O-N 3.24Å; N37-K39 PolarHBondContact O-N 2.99Å; N37-C40 PolarHBondContact O-N 3.36Å; N37-Q41 WeakPolarHBondContact O-CB 3.34Å; N37-Q41 VanDerWaalsContact O-CG 3.22Å; N37-Q41 WeakPolarHBondContact O-CG 3.36Å; N37-Q41 PolarHBondContact O-N 3Å; N37-C76 PolarHBondContact ND2-O 2.97Å; N37-Q98 VanDerWaalsContact CA-OE1 3.26Å
38H83Confident74.5Confident124 Ų12475 Ų7557%0.57440%0.397SS*.Hα-helixtrans-60.8-42.9174.5-173.472.4000112.3F34 F36 Q41 V42F34-H38 WeakPolarHBondContact O-CB 3.5Å; F34-H38 PolarHBondContact O-N 3.49Å; F36-H38 VanDerWaalsContact C-N 3.33Å; F36-H38 PolarHBondContact O-N 3.12Å; H38-Q41 PolarHBondContact O-N 3.15Å; H38-V42 WeakPolarHBondContact O-CB 3.4Å; H38-V42 VanDerWaalsContact O-CG2 3.25Å; H38-V42 WeakPolarHBondContact O-CG2 3.31Å; H38-V42 PolarHBondContact O-N 3.28Å
39K91.9Very high76.9Confident89 Ų8973.6 Ų73.639%0.38738%0.376SS..Hα-helixtrans-59.9-47.4175-179.3-179.6173.6-175.20111.7T35 F36 N37 Q41 V42 M43 H102T35-K39 WeakPolarHBondContact O-CB 3.34Å; T35-K39 PolarHBondContact O-N 3.19Å; F36-K39 PolarHBondContact O-N 2.89Å; N37-K39 PolarHBondContact O-N 2.99Å; K39-Q41 PolarHBondContact O-N 3.39Å; K39-V42 PolarHBondContact O-N 2.59Å; K39-M43 HydrophobicContact CD-SD 4.27Å; K39-M43 WeakPolarHBondContact CE-SD 3.33Å; K39-M43 HydrophobicContact CG-CG 4.43Å; K39-M43 HydrophobicContact CG-SD 3.78Å; K39-M43 WeakPolarHBondContact O-CB 3.29Å; K39-M43 VanDerWaalsContact O-CG 3.29Å; K39-M43 WeakPolarHBondContact O-CG 3.43Å; K39-M43 PolarHBondContact O-N 3.26Å; K39-H102 PolarHBondContact NZ-O 3.42Å; K39-H102 VanDerWaalsContact NZ-O 3.1Å
40C94.9Very high79.3Confident5 Ų572 Ų723%0.03437%0.37CS..Hα-helixtrans-59.7-46.71781780000111.4F36 N37 V42 M43 L44 C76 Q98 M107F36-C40 PolarHBondContact O-N 3.31Å; N37-C40 PolarHBondContact O-N 3.36Å; C40-V42 PolarHBondContact O-N 2.99Å; C40-M43 PolarHBondContact O-N 2.8Å; C40-L44 WeakPolarHBondContact O-CB 3.16Å; C40-L44 PolarHBondContact O-N 3.03Å; C40-C76 HydrophobicContact CB-CB 3.67Å; C40-C76 WeakPolarHBondContact CB-SG 3.36Å; C40-C76 WeakPolarHBondContact SG-CB 3.37Å; C40-C76 CovalentContact SG-SG 2.03Å; C40-C76 PolarHBondContact SG-SG 3.31Å; C40-Q98 HydrophobicContact CB-CB 3.83Å; C40-M107 HydrophobicContact CB-CE 4.47Å
41Q95.4Very high81.7Confident48 Ų4868.7 Ų68.722%0.22434%0.342CS..Hα-helixtrans-61.9-41178-70.3-65.9-19.800112.8N37 H38 K39 L44 Q45N37-Q41 WeakPolarHBondContact O-CB 3.34Å; N37-Q41 VanDerWaalsContact O-CG 3.22Å; N37-Q41 WeakPolarHBondContact O-CG 3.36Å; N37-Q41 PolarHBondContact O-N 3Å; H38-Q41 PolarHBondContact O-N 3.15Å; K39-Q41 PolarHBondContact O-N 3.39Å; Q41-L44 PolarHBondContact O-N 2.87Å; Q41-Q45 WeakPolarHBondContact O-CB 3.43Å; Q41-Q45 PolarHBondContact O-N 2.79Å
42V95.7Very high84.4Confident77 Ų7760.5 Ų60.547%0.46731%0.305SS..Hα-helixtrans-65.4-45.1175.51700000110.9H38 K39 C40 L44 Q45 F46H38-V42 WeakPolarHBondContact O-CB 3.4Å; H38-V42 VanDerWaalsContact O-CG2 3.25Å; H38-V42 WeakPolarHBondContact O-CG2 3.31Å; H38-V42 PolarHBondContact O-N 3.28Å; K39-V42 PolarHBondContact O-N 2.59Å; C40-V42 PolarHBondContact O-N 2.99Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 2.93Å; V42-Q45 PolarHBondContact O-N 2.8Å; V42-F46 PolarHBondContact O-N 3.45Å
43M97.5Very high86.8Confident14 Ų1458.4 Ų58.47%0.06929%0.287CS..Hα-helixtrans-65.2-38.4178.3-71.3174.748.300112K39 C40 F46 A47 I101 Q103 Q104 M107K39-M43 HydrophobicContact CD-SD 4.27Å; K39-M43 WeakPolarHBondContact CE-SD 3.33Å; K39-M43 HydrophobicContact CG-CG 4.43Å; K39-M43 HydrophobicContact CG-SD 3.78Å; K39-M43 WeakPolarHBondContact O-CB 3.29Å; K39-M43 VanDerWaalsContact O-CG 3.29Å; K39-M43 WeakPolarHBondContact O-CG 3.43Å; K39-M43 PolarHBondContact O-N 3.26Å; C40-M43 PolarHBondContact O-N 2.8Å; M43-F46 PolarHBondContact O-N 3.36Å; M43-A47 WeakPolarHBondContact O-CB 3.45Å; M43-A47 PolarHBondContact O-N 3.03Å; M43-I101 HydrophobicContact CE-CG2 3.79Å; M43-Q103 VanDerWaalsContact CE-O 3.29Å; M43-Q103 WeakPolarHBondContact CE-O 3.28Å; M43-Q104 VanDerWaalsContact CA-OE1 3.26Å; M43-Q104 PolarHBondContact O-NE2 3.3Å; M43-Q104 PolarHBondContact O-OE1 3.35Å; M43-M107 HydrophobicContact CB-CB 4.27Å; M43-M107 HydrophobicContact CB-CE 3.9Å; M43-M107 HydrophobicContact CB-CG 3.94Å; M43-M107 HydrophobicContact CE-CB 3.65Å; M43-M107 HydrophobicContact CE-CE 4.28Å; M43-M107 HydrophobicContact CE-CG 4.39Å
44L97.9Very high89.1Confident0 Ų054.2 Ų54.20%027%0.265CS..Hα-helixtrans-62.3-48.9173.3170.858.8000111.2C40 Q41 V42 F46 A47 M48 K70 F74 L96 V111C40-L44 WeakPolarHBondContact O-CB 3.16Å; C40-L44 PolarHBondContact O-N 3.03Å; Q41-L44 PolarHBondContact O-N 2.87Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 2.93Å; L44-F46 VanDerWaalsContact C-N 3.28Å; L44-F46 PolarHBondContact O-N 3.35Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 3.17Å; L44-A47 VanDerWaalsContact O-N 3.1Å; L44-M48 HydrophobicContact CD1-CG 3.84Å; L44-M48 HydrophobicContact CD1-SD 3.74Å; L44-M48 HydrophobicContact CG-CG 4.48Å; L44-M48 HydrophobicContact CG-SD 3.98Å; L44-M48 WeakPolarHBondContact O-CG 3.25Å; L44-M48 PolarHBondContact O-N 3.22Å; L44-K70 HydrophobicContact CD2-CD 4.23Å; L44-K70 HydrophobicContact CD2-CG 3.75Å; L44-K70 HydrophobicContact CG-CD 4.35Å; L44-K70 HydrophobicContact CG-CG 4.19Å; L44-F74 HydrophobicContact CD1-CD1 3.68Å; L44-F74 HydrophobicContact CD1-CE1 3.8Å; L44-F74 HydrophobicContact CD1-CG 4.05Å; L44-F74 HydrophobicContact CD1-CZ 4.25Å; L44-F74 HydrophobicContact CD2-CB 3.45Å; L44-F74 VanDerWaalsContact CD2-CB 3.45Å; L44-F74 HydrophobicContact CD2-CD1 4.04Å; L44-F74 HydrophobicContact CD2-CD2 4.42Å; L44-F74 HydrophobicContact CD2-CG 3.74Å; L44-L96 HydrophobicContact CB-CD1 4.13Å; L44-L96 HydrophobicContact CD1-CD1 3.85Å; L44-L96 HydrophobicContact CD2-CD1 3.89Å; L44-L96 HydrophobicContact CG-CD1 4.16Å; L44-V111 HydrophobicContact CD1-CG1 4.4Å; L44-V111 HydrophobicContact CD1-CG2 3.73Å
45Q97.6Very high91.4Very high62 Ų6250.9 Ų50.929%0.2925%0.25SC..Hα-helixtrans-53.9-49.6176.5-173.369.828.700110.4Q41 V42 A47 M48 E49Q41-Q45 WeakPolarHBondContact O-CB 3.43Å; Q41-Q45 PolarHBondContact O-N 2.79Å; V42-Q45 PolarHBondContact O-N 2.8Å; Q45-A47 VanDerWaalsContact C-N 3.33Å; Q45-A47 PolarHBondContact O-N 3.06Å; Q45-M48 PolarHBondContact O-N 3.28Å; Q45-E49 HydrophobicContact CG-CG 4.47Å; Q45-E49 VanDerWaalsContact NE2-CD 3.28Å; Q45-E49 PolarHBondContact NE2-OE1 2.58Å; Q45-E49 WeakPolarHBondContact O-CB 3.39Å; Q45-E49 WeakPolarHBondContact O-CG 3.49Å; Q45-E49 PolarHBondContact O-N 3.08Å
46F97.7Very high93.2Very high104 Ų10446.6 Ų46.646%0.45622%0.224SC..Hα-helixtrans-62.4-40179.1-168.4-91.1000112.2V42 M43 L44 E49 T50 Q104V42-F46 PolarHBondContact O-N 3.45Å; M43-F46 PolarHBondContact O-N 3.36Å; L44-F46 VanDerWaalsContact C-N 3.28Å; L44-F46 PolarHBondContact O-N 3.35Å; F46-E49 PolarHBondContact O-N 3.25Å; F46-T50 HydrophobicContact CD1-CG2 4.3Å; F46-T50 VanDerWaalsContact CD1-OG1 3.28Å; F46-T50 WeakPolarHBondContact CD1-OG1 3.48Å; F46-T50 HydrophobicContact CD2-CG2 3.94Å; F46-T50 HydrophobicContact CE1-CG2 4.13Å; F46-T50 WeakPolarHBondContact CE1-OG1 3.49Å; F46-T50 HydrophobicContact CE2-CG2 3.75Å; F46-T50 HydrophobicContact CG-CG2 4.22Å; F46-T50 HydrophobicContact CZ-CG2 3.86Å; F46-T50 WeakPolarHBondContact O-CB 3.25Å; F46-T50 WeakPolarHBondContact O-CG2 3.38Å; F46-T50 PolarHBondContact O-N 3.32Å; F46-T50 PolarHBondContact O-OG1 2.58Å; F46-Q104 HydrophobicContact CD1-CG 3.67Å; F46-Q104 HydrophobicContact CE1-CG 4.05Å
47A97.9Very high95Very high0 Ų041.7 Ų41.70%020%0.202CC..Hα-helixtrans-61.1-47.5176.600000111.2M43 L44 Q45 E49 S51 M107 N108 V111M43-A47 WeakPolarHBondContact O-CB 3.45Å; M43-A47 PolarHBondContact O-N 3.03Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 3.17Å; L44-A47 VanDerWaalsContact O-N 3.1Å; Q45-A47 VanDerWaalsContact C-N 3.33Å; Q45-A47 PolarHBondContact O-N 3.06Å; A47-E49 PolarHBondContact O-N 3.2Å; A47-S51 WeakPolarHBondContact O-CB 2.93Å; A47-S51 PolarHBondContact O-N 3.41Å; A47-M107 HydrophobicContact CB-CG 4.17Å; A47-N108 WeakPolarHBondContact CA-OD1 2.98Å; A47-N108 VanDerWaalsContact CB-OD1 3.27Å; A47-N108 WeakPolarHBondContact CB-OD1 3.43Å; A47-V111 HydrophobicContact CB-CB 4.41Å; A47-V111 HydrophobicContact CB-CG1 4.46Å; A47-V111 HydrophobicContact CB-CG2 4.25Å
48M97.8Very high96.4Very high27 Ų2740.5 Ų40.513%0.13320%0.196CC..Hα-helixtrans-65.5-37.6179.9-66.8177.271.500112.8L44 Q45 K55 L58 K70 F74L44-M48 HydrophobicContact CD1-CG 3.84Å; L44-M48 HydrophobicContact CD1-SD 3.74Å; L44-M48 HydrophobicContact CG-CG 4.48Å; L44-M48 HydrophobicContact CG-SD 3.98Å; L44-M48 WeakPolarHBondContact O-CG 3.25Å; L44-M48 PolarHBondContact O-N 3.22Å; Q45-M48 PolarHBondContact O-N 3.28Å; M48-K55 WeakPolarHBondContact O-CG 3.24Å; M48-L58 HydrophobicContact CB-CD1 4.09Å; M48-L58 HydrophobicContact CE-CD1 3.89Å; M48-L58 HydrophobicContact CE-CD2 4.22Å; M48-L58 HydrophobicContact CG-CD1 4.24Å; M48-K70 HydrophobicContact CE-CB 3.97Å; M48-K70 HydrophobicContact SD-CB 3.84Å; M48-K70 HydrophobicContact SD-CD 4.2Å; M48-K70 HydrophobicContact SD-CG 3.74Å; M48-F74 HydrophobicContact CE-CE2 3.98Å; M48-F74 HydrophobicContact SD-CD2 4.34Å; M48-F74 HydrophobicContact SD-CE2 3.97Å; M48-F74 HydrophobicContact SD-CZ 4.41Å
49E96.6Very high97Very high104 Ų10435.8 Ų35.849%0.48618%0.181SC..Hα-helixtrans-83-30-175.4-71.9-178160.900114Q45 F46 A47 K55Q45-E49 HydrophobicContact CG-CG 4.47Å; Q45-E49 VanDerWaalsContact NE2-CD 3.28Å; Q45-E49 PolarHBondContact NE2-OE1 2.58Å; Q45-E49 WeakPolarHBondContact O-CB 3.39Å; Q45-E49 WeakPolarHBondContact O-CG 3.49Å; Q45-E49 PolarHBondContact O-N 3.08Å; F46-E49 PolarHBondContact O-N 3.25Å; A47-E49 PolarHBondContact O-N 3.2Å; E49-K55 VanDerWaalsContact O-CD 3.31Å; E49-K55 WeakPolarHBondContact O-CD 3.28Å; E49-K55 VanDerWaalsContact O-CE 3.29Å; E49-K55 WeakPolarHBondContact O-CE 3.3Å; E49-K55 PolarHBondContact O-NZ 3.43Å
50T96.2Very high97.3Very high50 Ų5031.7 Ų31.731%0.30716%0.163SC..Hα-helixtrans-118.8-21.4-167.474.20000114.6F46 P52F46-T50 HydrophobicContact CD1-CG2 4.3Å; F46-T50 VanDerWaalsContact CD1-OG1 3.28Å; F46-T50 WeakPolarHBondContact CD1-OG1 3.48Å; F46-T50 HydrophobicContact CD2-CG2 3.94Å; F46-T50 HydrophobicContact CE1-CG2 4.13Å; F46-T50 WeakPolarHBondContact CE1-OG1 3.49Å; F46-T50 HydrophobicContact CE2-CG2 3.75Å; F46-T50 HydrophobicContact CG-CG2 4.22Å; F46-T50 HydrophobicContact CZ-CG2 3.86Å; F46-T50 WeakPolarHBondContact O-CB 3.25Å; F46-T50 WeakPolarHBondContact O-CG2 3.38Å; F46-T50 PolarHBondContact O-N 3.32Å; F46-T50 PolarHBondContact O-OG1 2.58Å; T50-P52 WeakPolarHBondContact O-CD 3.49Å
51S97Very high97.4Very high7 Ų731.8 Ų31.85%0.04916%0.164CC..  trans-76.3117.9177.7-176.60000109.8A47 Y53 A54 K55A47-S51 WeakPolarHBondContact O-CB 2.93Å; A47-S51 PolarHBondContact O-N 3.41Å; S51-Y53 PolarHBondContact O-N 3.38Å; S51-Y53 PolarHBondContact OG-N 2.72Å; S51-A54 PolarHBondContact O-N 2.88Å; S51-A54 VanDerWaalsContact O-N 3.17Å; S51-K55 WeakPolarHBondContact O-CG 3.39Å; S51-K55 PolarHBondContact O-N 3.37Å
52P97.4Very high97.5Very high6 Ų636.9 Ų36.94%0.03919%0.185CC..Hα-helixtrans-60.1-28.1175.424.7-33.7000112T50 L56 K214 A217 N218T50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-L56 VanDerWaalsContact O-CB 3.29Å; P52-L56 WeakPolarHBondContact O-CB 2.97Å; P52-L56 PolarHBondContact O-N 2.99Å; P52-L56 VanDerWaalsContact O-N 3.08Å; P52-K214 HydrophobicContact CG-CG 4.39Å; P52-A217 HydrophobicContact CB-CB 4.19Å; P52-A217 HydrophobicContact CG-CB 3.69Å; P52-N218 WeakPolarHBondContact CB-OD1 3.33Å
53Y97.9Very high97.4Very high22 Ų2236.7 Ų36.79%0.08619%0.187CC..Hα-helixtrans-63.4-53.5174.1-64.7-102.1000112S51 K55 L56 L57 T112 L145 F207 P211 D213 A217S51-Y53 PolarHBondContact O-N 3.38Å; S51-Y53 PolarHBondContact OG-N 2.72Å; Y53-K55 PolarHBondContact O-N 3.3Å; Y53-L56 PolarHBondContact O-N 2.97Å; Y53-L57 PolarHBondContact O-N 3.31Å; Y53-L57 VanDerWaalsContact O-N 3.08Å; Y53-T112 WeakPolarHBondContact CB-OG1 2.89Å; Y53-T112 HydrophobicContact CD1-CG2 3.91Å; Y53-T112 HydrophobicContact CG-CG2 4.1Å; Y53-L145 WeakPolarHBondContact CD1-O 3.42Å; Y53-L145 WeakPolarHBondContact CE1-O 3.26Å; Y53-F207 AromaticContact CD1-CE1 3.67Å; Y53-F207 HydrophobicContact CD1-CE1 3.67Å; Y53-F207 AromaticContact CD1-CZ 3.98Å; Y53-F207 HydrophobicContact CD1-CZ 3.98Å; Y53-F207 HydrophobicContact CG-CE1 4.23Å; Y53-P211 HydrophobicContact CD1-CB 4.43Å; Y53-P211 HydrophobicContact CD1-CG 4.17Å; Y53-P211 HydrophobicContact CE1-CB 3.53Å; Y53-P211 HydrophobicContact CE1-CG 3.62Å; Y53-P211 PolarHBondContact OH-O 2.63Å; Y53-D213 PolarHBondContact OH-O 2.97Å; Y53-A217 HydrophobicContact CD1-CB 4.25Å; Y53-A217 HydrophobicContact CD2-CB 3.48Å; Y53-A217 VanDerWaalsContact CD2-CB 3.48Å; Y53-A217 HydrophobicContact CE1-CB 4.01Å; Y53-A217 HydrophobicContact CE2-CB 3.16Å; Y53-A217 HydrophobicContact CG-CB 4.02Å; Y53-A217 VanDerWaalsContact CZ-CB 3.46Å
54A98Very high97.2Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-64-43.7-178.900000110.8S51 L56 L57 L58 V111 L115S51-A54 PolarHBondContact O-N 2.88Å; S51-A54 VanDerWaalsContact O-N 3.17Å; A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.48Å; A54-L57 PolarHBondContact O-N 2.9Å; A54-L58 WeakPolarHBondContact O-CB 3.4Å; A54-L58 WeakPolarHBondContact O-CG 3.47Å; A54-L58 PolarHBondContact O-N 2.85Å; A54-V111 HydrophobicContact CB-CG1 4.4Å; A54-L115 HydrophobicContact CB-CD1 4.08Å
55K98.1Very high97.1Very high81 Ų8142.4 Ų42.435%0.35224%0.239SC..Hα-helixtrans-59.9-41.7178.4-66.4-179.799.21550112.4M48 E49 S51 Y53 G59 Y221M48-K55 WeakPolarHBondContact O-CG 3.24Å; E49-K55 VanDerWaalsContact O-CD 3.31Å; E49-K55 WeakPolarHBondContact O-CD 3.28Å; E49-K55 VanDerWaalsContact O-CE 3.29Å; E49-K55 WeakPolarHBondContact O-CE 3.3Å; E49-K55 PolarHBondContact O-NZ 3.43Å; S51-K55 WeakPolarHBondContact O-CG 3.39Å; S51-K55 PolarHBondContact O-N 3.37Å; Y53-K55 PolarHBondContact O-N 3.3Å; K55-G59 PolarHBondContact O-N 2.03Å; K55-Y221 HydrophobicContact CB-CD2 4.06Å; K55-Y221 HydrophobicContact CB-CE2 3.59Å
56L98.2Very high97Very high0 Ų041.6 Ų41.60%024%0.24CC..Hα-helixtrans-61-52.9175.6-166.9163.7000110.7P52 Y53 A54 L58 G59 A60 P206 F207 A220 Y221 F224P52-L56 VanDerWaalsContact O-CB 3.29Å; P52-L56 WeakPolarHBondContact O-CB 2.97Å; P52-L56 PolarHBondContact O-N 2.99Å; P52-L56 VanDerWaalsContact O-N 3.08Å; Y53-L56 PolarHBondContact O-N 2.97Å; A54-L56 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 3.48Å; L56-L58 PolarHBondContact O-N 2.98Å; L56-G59 PolarHBondContact O-N 3.01Å; L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.45Å; L56-P206 HydrophobicContact CD2-CB 3.63Å; L56-P206 HydrophobicContact CD2-CG 3.48Å; L56-P206 VanDerWaalsContact CD2-CG 3.48Å; L56-F207 HydrophobicContact CB-CE1 4.43Å; L56-F207 HydrophobicContact CD1-CD1 3.62Å; L56-F207 HydrophobicContact CD1-CE1 4.09Å; L56-F207 HydrophobicContact CD1-CG 4.24Å; L56-F207 HydrophobicContact CD2-CD1 4.34Å; L56-F207 HydrophobicContact CD2-CE1 4.47Å; L56-F207 HydrophobicContact CD2-CG 4.48Å; L56-F207 HydrophobicContact CG-CD1 4.48Å; L56-A220 VanDerWaalsContact CD1-C 3.48Å; L56-A220 HydrophobicContact CD1-CB 3.9Å; L56-A220 WeakPolarHBondContact CD1-O 3.25Å; L56-Y221 HydrophobicContact CB-CD2 3.82Å; L56-Y221 HydrophobicContact CG-CD2 4.43Å; L56-F224 HydrophobicContact CD1-CB 4.07Å; L56-F224 HydrophobicContact CD2-CD2 4.25Å; L56-F224 HydrophobicContact CD2-CG 4.25Å; L56-F224 HydrophobicContact CG-CB 3.95Å; L56-F224 HydrophobicContact CG-CD1 4.15Å; L56-F224 HydrophobicContact CG-CD2 4.42Å; L56-F224 HydrophobicContact CG-CG 3.92Å
57L98.4Very high96.9Very high0 Ų037.9 Ų37.90%023%0.229CC..Hα-helixtrans-60.9-46.9-179.3-74.3162.6000112.2Y53 A54 G59 A60 M61 T112 L115 I116 F119 P206 F207Y53-L57 PolarHBondContact O-N 3.31Å; Y53-L57 VanDerWaalsContact O-N 3.08Å; A54-L57 PolarHBondContact O-N 2.9Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.43Å; L57-A60 PolarHBondContact O-N 3.05Å; L57-A60 VanDerWaalsContact O-N 3.16Å; L57-M61 WeakPolarHBondContact O-CB 3.47Å; L57-M61 VanDerWaalsContact O-CG 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.33Å; L57-M61 PolarHBondContact O-N 3.45Å; L57-T112 HydrophobicContact CD1-CG2 3.78Å; L57-L115 HydrophobicContact CB-CB 4.17Å; L57-L115 HydrophobicContact CB-CD1 4.33Å; L57-L115 HydrophobicContact CD1-CB 3.72Å; L57-L115 HydrophobicContact CG-CB 4.47Å; L57-I116 HydrophobicContact CD1-CG1 3.88Å; L57-I116 HydrophobicContact CD2-CG1 4.06Å; L57-F119 HydrophobicContact CD2-CB 4.19Å; L57-F119 HydrophobicContact CD2-CD1 4.43Å; L57-F119 HydrophobicContact CD2-CG 4.33Å; L57-P206 HydrophobicContact CD2-CG 3.77Å; L57-F207 HydrophobicContact CD1-CE2 4.2Å; L57-F207 HydrophobicContact CD1-CZ 3.83Å; L57-F207 HydrophobicContact CD2-CE2 3.98Å; L57-F207 HydrophobicContact CD2-CZ 4.28Å; L57-F207 HydrophobicContact CG-CE2 4.06Å; L57-F207 HydrophobicContact CG-CZ 3.83Å
58L98.3Very high96.9Very high30 Ų3038.8 Ų38.816%0.15723%0.234CC..Hα-helixtrans-60-40.8176.8-67.8171.4000111.5M48 A54 L56 K62 V68 L115M48-L58 HydrophobicContact CB-CD1 4.09Å; M48-L58 HydrophobicContact CE-CD1 3.89Å; M48-L58 HydrophobicContact CE-CD2 4.22Å; M48-L58 HydrophobicContact CG-CD1 4.24Å; A54-L58 WeakPolarHBondContact O-CB 3.4Å; A54-L58 WeakPolarHBondContact O-CG 3.47Å; A54-L58 PolarHBondContact O-N 2.85Å; L56-L58 PolarHBondContact O-N 2.98Å; L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 3.05Å; L58-V68 HydrophobicContact CD2-CB 3.67Å; L58-V68 HydrophobicContact CD2-CG1 3.86Å; L58-V68 HydrophobicContact CD2-CG2 4.46Å; L58-L115 HydrophobicContact CD2-CD1 4.29Å; L58-L115 HydrophobicContact CD2-CD2 3.92Å; L58-L115 HydrophobicContact CG-CD1 4.26Å
59G97.3Very high96.8Very high26 Ų2644.8 Ų44.827%0.26826%0.256SS..Hα-helixtrans-64.1-43.517400000112.8K55 L56 L57 K62 S63K55-G59 PolarHBondContact O-N 2.03Å; L56-G59 PolarHBondContact O-N 3.01Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 3.43Å; G59-K62 PolarHBondContact O-N 3.34Å; G59-S63 PolarHBondContact O-N 3.12Å; G59-S63 PolarHBondContact O-OG 3.44Å
60A97.1Very high96.7Very high2 Ų242.2 Ų42.22%0.01724%0.244CC..Hα-helixtrans-64.5-47.7178.900000111.5L56 L57 K62 S63 S64 F119 P206 F224L56-A60 WeakPolarHBondContact O-CB 3.4Å; L56-A60 PolarHBondContact O-N 3.45Å; L57-A60 PolarHBondContact O-N 3.05Å; L57-A60 VanDerWaalsContact O-N 3.16Å; A60-K62 VanDerWaalsContact C-N 3.32Å; A60-K62 PolarHBondContact O-N 2.97Å; A60-S63 WeakPolarHBondContact CA-OG 3.12Å; A60-S63 PolarHBondContact O-N 3.16Å; A60-S63 PolarHBondContact O-OG 3.47Å; A60-S64 PolarHBondContact O-N 3.31Å; A60-S64 PolarHBondContact O-OG 2.82Å; A60-S64 VanDerWaalsContact O-OG 3.11Å; A60-F119 HydrophobicContact CB-CD2 4.34Å; A60-F119 HydrophobicContact CB-CE2 3.85Å; A60-F119 HydrophobicContact CB-CZ 4.42Å; A60-P206 HydrophobicContact CB-CB 3.59Å; A60-P206 HydrophobicContact CB-CG 3.52Å; A60-F224 HydrophobicContact CB-CE2 3.71Å; A60-F224 HydrophobicContact CB-CZ 3.71Å
61M97.5Very high96.5Very high7 Ų746.6 Ų46.63%0.03427%0.265CS..Hα-helixtrans-60.6-41.6176.2-71.4-174.878.700111.7L57 S64 G65 C66 V68 L115 A118 F119L57-M61 WeakPolarHBondContact O-CB 3.47Å; L57-M61 VanDerWaalsContact O-CG 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.33Å; L57-M61 PolarHBondContact O-N 3.45Å; M61-S64 PolarHBondContact O-N 3.41Å; M61-G65 PolarHBondContact O-N 2.81Å; M61-C66 WeakPolarHBondContact CB-O 3.44Å; M61-C66 HydrophobicContact CE-CB 4.42Å; M61-C66 CarbonylContact O-C 3.54Å; M61-C66 WeakPolarHBondContact O-CA 3.23Å; M61-C66 PolarHBondContact O-N 3.33Å; M61-V68 HydrophobicContact CB-CG2 4.28Å; M61-V68 HydrophobicContact CE-CG2 3.18Å; M61-V68 HydrophobicContact SD-CG2 3.42Å; M61-V68 WeakPolarHBondContact SD-CG2 3.45Å; M61-L115 HydrophobicContact SD-CD2 4.06Å; M61-A118 HydrophobicContact CE-CB 3.66Å; M61-A118 HydrophobicContact SD-CB 4.23Å; M61-F119 HydrophobicContact CG-CB 4.01Å; M61-F119 HydrophobicContact CG-CD2 3.75Å; M61-F119 HydrophobicContact CG-CG 4.36Å; M61-F119 HydrophobicContact SD-CB 4.17Å
62K96.8Very high96.4Very high156 Ų15651.9 Ų51.968%0.67828%0.284SS*.Hα-helixtrans-61.2-44.9173.5-175.2178.2179.2-1790112.1L58 G59 A60 S64 G65 A67L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 3.05Å; G59-K62 PolarHBondContact O-N 3.34Å; A60-K62 VanDerWaalsContact C-N 3.32Å; A60-K62 PolarHBondContact O-N 2.97Å; K62-S64 VanDerWaalsContact C-N 3.27Å; K62-S64 PolarHBondContact O-N 3.45Å; K62-G65 PolarHBondContact O-N 2.71Å; K62-A67 HydrophobicContact CG-CB 4.46Å
63S94Very high96.4Very high72 Ų7253.4 Ų53.450%0.50329%0.291SS..Hα-helixtrans-68.3-25.4178.354.40000113.8G59 A60 G65 R227G59-S63 PolarHBondContact O-N 3.12Å; G59-S63 PolarHBondContact O-OG 3.44Å; A60-S63 WeakPolarHBondContact CA-OG 3.12Å; A60-S63 PolarHBondContact O-N 3.16Å; A60-S63 PolarHBondContact O-OG 3.47Å; S63-G65 VanDerWaalsContact C-N 3.33Å; S63-R227 PolarHBondContact OG-NH2 3.37Å
64S93.6Very high96.4Very high63 Ų6352.8 Ų52.844%0.44129%0.289SS..THydrogen-bonded Turntrans-88.45.1177-58.10000113.7A60 M61 K62A60-S64 PolarHBondContact O-N 3.31Å; A60-S64 PolarHBondContact O-OG 2.82Å; A60-S64 VanDerWaalsContact O-OG 3.11Å; M61-S64 PolarHBondContact O-N 3.41Å; K62-S64 VanDerWaalsContact C-N 3.27Å; K62-S64 PolarHBondContact O-N 3.45Å
65G95.3Very high96.3Very high71 Ų7154.2 Ų54.273%0.73230%0.299SS*.THydrogen-bonded Turntrans83.88.2178.700000115.4M61 K62 S63M61-G65 PolarHBondContact O-N 2.81Å; K62-G65 PolarHBondContact O-N 2.71Å; S63-G65 VanDerWaalsContact C-N 3.33Å
66C95.8Very high96.1Very high45 Ų4550.7 Ų50.730%0.30428%0.284SS..  trans-113.853.3179.5-55.90000111.1M61 V68 C122M61-C66 WeakPolarHBondContact CB-O 3.44Å; M61-C66 HydrophobicContact CE-CB 4.42Å; M61-C66 CarbonylContact O-C 3.54Å; M61-C66 WeakPolarHBondContact O-CA 3.23Å; M61-C66 PolarHBondContact O-N 3.33Å; C66-V68 PolarHBondContact O-N 3.03Å; C66-C122 HydrophobicContact CB-CB 3.62Å; C66-C122 WeakPolarHBondContact CB-SG 3.25Å; C66-C122 WeakPolarHBondContact SG-CB 3.21Å; C66-C122 CovalentContact SG-SG 2.02Å; C66-C122 PolarHBondContact SG-SG 3.26Å
67A96.8Very high95.9Very high26 Ų2651.2 Ų51.222%0.21529%0.286CS..  trans-56.5127-176.100000112K62 Y69K62-A67 HydrophobicContact CG-CB 4.46Å; A67-Y69 HydrophobicContact CB-CE2 4.02Å
68V97.1Very high95.5Very high20 Ų2054.5 Ų54.512%0.12130%0.304CS..  trans-96.5129.2178.9179.20000109.8L58 M61 C66 H73 F74 L115L58-V68 HydrophobicContact CD2-CB 3.67Å; L58-V68 HydrophobicContact CD2-CG1 3.86Å; L58-V68 HydrophobicContact CD2-CG2 4.46Å; M61-V68 HydrophobicContact CB-CG2 4.28Å; M61-V68 HydrophobicContact CE-CG2 3.18Å; M61-V68 HydrophobicContact SD-CG2 3.42Å; M61-V68 WeakPolarHBondContact SD-CG2 3.45Å; C66-V68 PolarHBondContact O-N 3.03Å; V68-H73 HydrophobicContact CG1-CB 3.7Å; V68-F74 HydrophobicContact CG1-CD2 4.31Å; V68-F74 HydrophobicContact CG1-CE2 3.54Å; V68-F74 HydrophobicContact CG1-CZ 4.26Å; V68-L115 HydrophobicContact CG1-CD2 4.22Å; V68-L115 HydrophobicContact CG2-CD2 4.39Å
69Y95.6Very high95.1Very high152 Ų15253.6 Ų53.660%0.59630%0.3SS*.  trans-117.7132177.6-56-78000110.2A67 D71 R72 H73A67-Y69 HydrophobicContact CB-CE2 4.02Å; Y69-D71 PolarHBondContact O-N 3.29Å; Y69-R72 PolarHBondContact O-N 3.01Å; Y69-H73 AromaticContact CD2-CE1 3.78Å; Y69-H73 PolarHBondContact N-ND1 3.2Å; Y69-H73 WeakPolarHBondContact O-CB 3.41Å; Y69-H73 PolarHBondContact O-N 3.11Å; Y69-H73 PolarHBondContact O-ND1 2.86Å
70K94.7Very high94.8Very high51 Ų5155.7 Ų55.722%0.22231%0.305CS..Hα-helixtrans-48.7-55.4-177.9-169.2-174.269.41730112.2L44 M48 R72 F74L44-K70 HydrophobicContact CD2-CD 4.23Å; L44-K70 HydrophobicContact CD2-CG 3.75Å; L44-K70 HydrophobicContact CG-CD 4.35Å; L44-K70 HydrophobicContact CG-CG 4.19Å; M48-K70 HydrophobicContact CE-CB 3.97Å; M48-K70 HydrophobicContact SD-CB 3.84Å; M48-K70 HydrophobicContact SD-CD 4.2Å; M48-K70 HydrophobicContact SD-CG 3.74Å; K70-R72 PolarHBondContact O-N 3.46Å; K70-F74 WeakPolarHBondContact O-CB 3.49Å; K70-F74 PolarHBondContact O-N 3.49Å; K70-F74 VanDerWaalsContact O-N 3.11Å
71D92.1Very high94.2Very high141 Ų14158.5 Ų58.575%0.75433%0.334SS*.Hα-helixtrans-75.6-10.6-170.6-50.5-38000114Y69Y69-D71 PolarHBondContact O-N 3.29Å
72R94.3Very high93.6Very high119 Ų11963.4 Ų63.445%0.44936%0.364SS..Hα-helixtrans-104.3-42.1177.317158.7-172.784.30.7112.5Y69 K70 S91 Q93Y69-R72 PolarHBondContact O-N 3.01Å; K70-R72 PolarHBondContact O-N 3.46Å; R72-S91 PolarHBondContact NH1-O 3.28Å; R72-S91 VanDerWaalsContact NH1-O 3.11Å; R72-S91 PolarHBondContact NH2-O 2.86Å; R72-Q93 PolarHBondContact O-NE2 3.35Å
73H97.4Very high93.2Very high37 Ų3757 Ų5717%0.17134%0.338CS..Hα-helixtrans-103.1-7-166.2-62.783.8000112.8V68 Y69 S92 Q93 I94V68-H73 HydrophobicContact CG1-CB 3.7Å; Y69-H73 AromaticContact CD2-CE1 3.78Å; Y69-H73 PolarHBondContact N-ND1 3.2Å; Y69-H73 WeakPolarHBondContact O-CB 3.41Å; Y69-H73 PolarHBondContact O-N 3.11Å; Y69-H73 PolarHBondContact O-ND1 2.86Å; H73-S92 PolarHBondContact CD2-O 2.76Å; H73-Q93 CarbonylContact O-C 3.51Å; H73-Q93 WeakPolarHBondContact O-CA 3.49Å; H73-I94 PolarHBondContact O-N 2.9Å
74F97.6Very high93.2Very high10 Ų1055.1 Ų55.14%0.04433%0.325CS..EExtended strand (participates in β ladder)trans-119.7140.4175.6-66.5-94.7000111.2L44 M48 V68 K70 I94 L96 V111 L115L44-F74 HydrophobicContact CD1-CD1 3.68Å; L44-F74 HydrophobicContact CD1-CE1 3.8Å; L44-F74 HydrophobicContact CD1-CG 4.05Å; L44-F74 HydrophobicContact CD1-CZ 4.25Å; L44-F74 HydrophobicContact CD2-CB 3.45Å; L44-F74 VanDerWaalsContact CD2-CB 3.45Å; L44-F74 HydrophobicContact CD2-CD1 4.04Å; L44-F74 HydrophobicContact CD2-CD2 4.42Å; L44-F74 HydrophobicContact CD2-CG 3.74Å; M48-F74 HydrophobicContact CE-CE2 3.98Å; M48-F74 HydrophobicContact SD-CD2 4.34Å; M48-F74 HydrophobicContact SD-CE2 3.97Å; M48-F74 HydrophobicContact SD-CZ 4.41Å; V68-F74 HydrophobicContact CG1-CD2 4.31Å; V68-F74 HydrophobicContact CG1-CE2 3.54Å; V68-F74 HydrophobicContact CG1-CZ 4.26Å; K70-F74 WeakPolarHBondContact O-CB 3.49Å; K70-F74 PolarHBondContact O-N 3.49Å; K70-F74 VanDerWaalsContact O-N 3.11Å; F74-I94 CarbonylContact C-O 3.59Å; F74-I94 VanDerWaalsContact CA-O 3.3Å; F74-I94 WeakPolarHBondContact CA-O 3.4Å; F74-I94 HydrophobicContact CD1-CB 3.72Å; F74-I94 HydrophobicContact CD1-CD1 4.26Å; F74-I94 HydrophobicContact CD1-CG2 3.62Å; F74-I94 HydrophobicContact CE1-CB 3.9Å; F74-I94 HydrophobicContact CE1-CD1 3.58Å; F74-I94 HydrophobicContact CE1-CG1 4.33Å; F74-I94 HydrophobicContact CE1-CG2 3.72Å; F74-I94 HydrophobicContact CG-CB 4.41Å; F74-I94 HydrophobicContact CZ-CD1 3.76Å; F74-L96 HydrophobicContact CD1-CD1 4.03Å; F74-L96 HydrophobicContact CD1-CG 4.44Å; F74-V111 HydrophobicContact CE1-CG1 4.11Å; F74-V111 HydrophobicContact CE1-CG2 4.47Å; F74-V111 HydrophobicContact CZ-CG1 4.33Å; F74-L115 HydrophobicContact CZ-CD1 4.42Å; F74-L115 HydrophobicContact CZ-CD2 3.94Å; F74-L115 HydrophobicContact CZ-CG 4.14Å
75S95.4Very high93.3Very high30 Ų3052.7 Ų52.721%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-131.2136.1175.1-169.70000109.2E77 I94 V95 L96S75-E77 VanDerWaalsContact CB-OE1 3.24Å; S75-E77 WeakPolarHBondContact CB-OE1 3.19Å; S75-E77 VanDerWaalsContact OG-CG 3.25Å; S75-E77 WeakPolarHBondContact OG-CG 3.38Å; S75-E77 PolarHBondContact OG-OE1 2.73Å; S75-I94 PolarHBondContact N-O 3.47Å; S75-V95 CarbonylContact O-C 3.57Å; S75-V95 WeakPolarHBondContact O-CA 3.41Å; S75-L96 PolarHBondContact O-N 3.5Å
76C94.9Very high93.3Very high6 Ų650 Ų504%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-103.7113.4171.7-70.70000107.4N37 C40 L96N37-C76 PolarHBondContact ND2-O 2.97Å; C40-C76 HydrophobicContact CB-CB 3.67Å; C40-C76 WeakPolarHBondContact CB-SG 3.36Å; C40-C76 WeakPolarHBondContact SG-CB 3.37Å; C40-C76 CovalentContact SG-SG 2.03Å; C40-C76 PolarHBondContact SG-SG 3.31Å; C76-L96 WeakPolarHBondContact CA-O 3.42Å
77E92.9Very high93.4Very high11 Ų1149.4 Ų49.45%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-131.9157.2-171.5-58.9177.7-16100109.6E18 R19 S75 V95 L96 C97 Q98E18-E77 HydrophobicContact CB-CB 4.44Å; E18-E77 HydrophobicContact CB-CG 4.48Å; E18-E77 HydrophobicContact CG-CB 4.49Å; R19-E77 WeakPolarHBondContact CG-OE2 3.27Å; R19-E77 IonicContact NE-OE1 3.41Å; R19-E77 PolarHBondContact NE-OE1 3.48Å; R19-E77 IonicContact NE-OE2 3.89Å; S75-E77 VanDerWaalsContact CB-OE1 3.24Å; S75-E77 WeakPolarHBondContact CB-OE1 3.19Å; S75-E77 VanDerWaalsContact OG-CG 3.25Å; S75-E77 WeakPolarHBondContact OG-CG 3.38Å; S75-E77 PolarHBondContact OG-OE1 2.73Å; E77-V95 HydrophobicContact CB-CG1 3.8Å; E77-V95 HydrophobicContact CG-CG1 3.88Å; E77-L96 PolarHBondContact N-O 3.45Å; E77-C97 CarbonylContact O-C 3.44Å; E77-C97 WeakPolarHBondContact O-CA 3.49Å; E77-Q98 PolarHBondContact O-N 3.07Å
78D90.4Very high93.3Very high70 Ų7048.9 Ų48.937%0.37427%0.268SS..  trans-83122.5166.4-70.7-19.6000109.8E18 Q98E18-D78 PolarHBondContact OE1-N 2.83Å; D78-Q98 WeakPolarHBondContact OD1-CG 3.36Å; D78-Q98 PolarHBondContact OD1-NE2 2.99Å
79C90.6Very high93.1Very high10 Ų1048.5 Ų48.57%0.06827%0.267CS..  trans-114.9173.5-177.4-500000112.5L15 F16 V83 C97 N99L15-C79 WeakPolarHBondContact O-CB 3.37Å; F16-C79 HydrophobicContact CD1-CB 4.41Å; F16-C79 VanDerWaalsContact CD1-SG 3.58Å; C79-V83 HydrophobicContact CB-CG2 3.87Å; C79-C97 HydrophobicContact CB-CB 3.52Å; C79-C97 WeakPolarHBondContact CB-SG 3.02Å; C79-C97 WeakPolarHBondContact SG-CA 3.48Å; C79-C97 WeakPolarHBondContact SG-CB 3.02Å; C79-C97 CovalentContact SG-SG 2.03Å; C79-C97 PolarHBondContact SG-SG 3.27Å; C79-N99 PolarHBondContact N-OD1 3.14Å; C79-N99 PolarHBondContact O-ND2 3.13Å
80D89.9Confident92.9Very high71 Ų7146.3 Ų46.338%0.3827%0.269SS..  trans-55.7144.7163.6-175.2-92.2000111.7L15 T82 V83 N100L15-D80 HydrophobicContact CB-CB 4.47Å; L15-D80 HydrophobicContact CD2-CB 3.98Å; L15-D80 PolarHBondContact O-N 2.96Å; D80-T82 PolarHBondContact O-N 3.09Å; D80-T82 VanDerWaalsContact OD1-CB 3.29Å; D80-T82 WeakPolarHBondContact OD1-CB 3.3Å; D80-T82 VanDerWaalsContact OD1-CG2 3.31Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.45Å; D80-T82 PolarHBondContact OD1-N 2.99Å; D80-T82 PolarHBondContact OD1-OG1 3.28Å; D80-V83 PolarHBondContact O-N 3.49Å; D80-N100 PolarHBondContact O-ND2 3.39Å
81G85.4Confident92.8Very high60 Ų6045.4 Ų45.462%0.61927%0.269SS*.THydrogen-bonded Turntrans-64.4-8.7-175.800000115.4
82T85.1Confident92.9Very high110 Ų11040.7 Ų40.768%0.67525%0.248SC*.THydrogen-bonded Turntrans-90.1-15.9-178.660.70000114.3D80D80-T82 PolarHBondContact O-N 3.09Å; D80-T82 VanDerWaalsContact OD1-CB 3.29Å; D80-T82 WeakPolarHBondContact OD1-CB 3.3Å; D80-T82 VanDerWaalsContact OD1-CG2 3.31Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.45Å; D80-T82 PolarHBondContact OD1-N 2.99Å; D80-T82 PolarHBondContact OD1-OG1 3.28Å
83V88.7Confident93Very high21 Ų2137.3 Ų37.313%0.12724%0.237CC..  trans-118148.1-177.3-67.10000112.2L15 F16 C79 D80 N100L15-V83 HydrophobicContact CB-CG2 4.12Å; L15-V83 HydrophobicContact CD1-CG1 3.83Å; F16-V83 HydrophobicContact CE1-CG2 4.4Å; F16-V83 HydrophobicContact CZ-CG2 4.35Å; C79-V83 HydrophobicContact CB-CG2 3.87Å; D80-V83 PolarHBondContact O-N 3.49Å; V83-N100 PolarHBondContact O-ND2 3.37Å
84S93.4Very high93.1Very high34 Ų3435.7 Ų35.724%0.23823%0.23CC..SBendtrans-109.7-15.7177.3-59.70000113.2C97 I101 H106S84-C97 VanDerWaalsContact C-SG 3.58Å; S84-C97 WeakPolarHBondContact O-CB 3.02Å; S84-C97 PolarHBondContact O-N 3.36Å; S84-I101 WeakPolarHBondContact O-CD1 3.13Å; S84-H106 PolarHBondContact OG-CE1 3.37Å; S84-H106 PolarHBondContact OG-NE2 2.9Å
85G95.2Very high93Very high12 Ų1235.2 Ų35.212%0.12423%0.227CC..EExtended strand (participates in β ladder)trans-171.8-178.9174.100000110.6V95G85-V95 CarbonylContact C-O 3.55Å; G85-V95 WeakPolarHBondContact CA-O 3Å
86G95.6Very high93.1Very high13 Ų1333.8 Ų33.813%0.13422%0.217CC..EExtended strand (participates in β ladder)trans-170.1151.1172.600000112.3I94 V95 E114G86-I94 CarbonylContact O-C 3.34Å; G86-I94 WeakPolarHBondContact O-CA 3.3Å; G86-V95 PolarHBondContact N-O 3.39Å; G86-V95 PolarHBondContact O-N 3.44Å; G86-E114 VanDerWaalsContact CA-CD 3.48Å; G86-E114 WeakPolarHBondContact CA-OE2 3.37Å
87F97.1Very high93.1Very high33 Ų3333.5 Ų33.515%0.14522%0.216CC..EExtended strand (participates in β ladder)trans-99.6122.1171.6175.8-106.7000110.7A89 I94 E114 H117 A118 H121 W128F87-A89 HydrophobicContact CE1-CB 3.93Å; F87-I94 HydrophobicContact CD2-CG1 4.03Å; F87-E114 PolarHBondContact N-OE2 3.25Å; F87-H117 HydrophobicContact CB-CB 3.61Å; F87-H117 HydrophobicContact CD1-CB 3.98Å; F87-H117 HydrophobicContact CG-CB 3.91Å; F87-A118 HydrophobicContact CD2-CB 3.82Å; F87-A118 HydrophobicContact CE2-CB 3.62Å; F87-A118 HydrophobicContact CZ-CB 4.25Å; F87-H121 HydrophobicContact CE1-CB 3.62Å; F87-H121 AromaticContact CE1-CG 3.79Å; F87-H121 HydrophobicContact CZ-CB 3.84Å; F87-H121 AromaticContact CZ-CD2 3.78Å; F87-H121 AromaticContact CZ-CG 3.91Å; F87-W128 HydrophobicContact CD1-CH2 4.23Å; F87-W128 AromaticContact CD1-CZ2 3.78Å; F87-W128 HydrophobicContact CD1-CZ2 3.78Å; F87-W128 AromaticContact CE1-CE2 3.96Å; F87-W128 AromaticContact CE1-CZ2 3.86Å; F87-W128 HydrophobicContact CE1-CZ2 3.86Å; F87-W128 AromaticContact CE1-NE1 3.91Å
88D95Very high93.1Very high16 Ų1633.7 Ų33.79%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-100.2108.6171.8172.126.8000110.7Y13 R19 T90 S91 S92 Q93Y13-D88 HydrophobicContact CE1-CB 4.44Å; Y13-D88 PolarHBondContact OH-OD1 2.88Å; R19-D88 IonicContact CZ-OD2 3.68Å; R19-D88 IonicContact NH1-OD2 3.19Å; R19-D88 PolarHBondContact NH1-OD2 3.41Å; D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.37Å; D88-T90 WeakPolarHBondContact OD1-CB 2.91Å; D88-T90 PolarHBondContact OD1-N 3.33Å; D88-S91 WeakPolarHBondContact OD2-CB 3.48Å; D88-S91 PolarHBondContact OD2-N 2.87Å; D88-S91 PolarHBondContact OD2-OG 2.79Å; D88-S92 WeakPolarHBondContact O-CA 3.28Å; D88-S92 PolarHBondContact O-N 2.94Å; D88-Q93 PolarHBondContact N-O 3.21Å; D88-Q93 PolarHBondContact O-N 3.4Å; D88-Q93 VanDerWaalsContact O-N 3.14Å
89A93.6Very high93.2Very high12 Ų1232.8 Ų32.810%0.09921%0.212CC..THydrogen-bonded Turntrans-62.8-31.8179.500000112.9F87 S92 W128 F129F87-A89 HydrophobicContact CE1-CB 3.93Å; A89-S92 PolarHBondContact O-N 3.43Å; A89-W128 HydrophobicContact CB-CG 3.88Å; A89-F129 HydrophobicContact CB-CE2 4.45Å
90T91.5Very high93.3Very high106 Ų10634 Ų3465%0.6522%0.217SC*.THydrogen-bonded Turntrans-67.3-44.8-176.7-55.60000111.4Y13 D88Y13-T90 PolarHBondContact OH-OG1 2.79Å; D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.37Å; D88-T90 WeakPolarHBondContact OD1-CB 2.91Å; D88-T90 PolarHBondContact OD1-N 3.33Å
91S92.4Very high93.5Very high31 Ų3130.9 Ų30.922%0.21720%0.2CC..THydrogen-bonded Turntrans-94.7-7.2178.265.10000113.8R72 D88 Q93R72-S91 PolarHBondContact NH1-O 3.28Å; R72-S91 VanDerWaalsContact NH1-O 3.11Å; R72-S91 PolarHBondContact NH2-O 2.86Å; D88-S91 WeakPolarHBondContact OD2-CB 3.48Å; D88-S91 PolarHBondContact OD2-N 2.87Å; D88-S91 PolarHBondContact OD2-OG 2.79Å; S91-Q93 VanDerWaalsContact C-N 3.28Å; S91-Q93 PolarHBondContact O-N 3.03Å; S91-Q93 WeakPolarHBondContact OG-CB 3.35Å
92S94.9Very high93.7Very high43 Ų4333.4 Ų33.430%0.30120%0.196SC..THydrogen-bonded Turntrans51.247.7-169.2-63.40000111.7H73 D88 A89H73-S92 PolarHBondContact CD2-O 2.76Å; D88-S92 WeakPolarHBondContact O-CA 3.28Å; D88-S92 PolarHBondContact O-N 2.94Å; A89-S92 PolarHBondContact O-N 3.43Å
93Q96.5Very high94.2Very high48 Ų4834.4 Ų34.422%0.22419%0.193CC..EExtended strand (participates in β ladder)trans-122.8142.2-179.5-71.6-170.2-42.100111.9R72 H73 D88 S91R72-Q93 PolarHBondContact O-NE2 3.35Å; H73-Q93 CarbonylContact O-C 3.51Å; H73-Q93 WeakPolarHBondContact O-CA 3.49Å; D88-Q93 PolarHBondContact N-O 3.21Å; D88-Q93 PolarHBondContact O-N 3.4Å; D88-Q93 VanDerWaalsContact O-N 3.14Å; S91-Q93 VanDerWaalsContact C-N 3.28Å; S91-Q93 PolarHBondContact O-N 3.03Å; S91-Q93 WeakPolarHBondContact OG-CB 3.35Å
94I97.9Very high94.5Very high3 Ų335.8 Ų35.82%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-94.2121.9169.3-65.4172.1000108H73 F74 S75 G86 F87 L96 E114 L115 A118H73-I94 PolarHBondContact O-N 2.9Å; F74-I94 CarbonylContact C-O 3.59Å; F74-I94 VanDerWaalsContact CA-O 3.3Å; F74-I94 WeakPolarHBondContact CA-O 3.4Å; F74-I94 HydrophobicContact CD1-CB 3.72Å; F74-I94 HydrophobicContact CD1-CD1 4.26Å; F74-I94 HydrophobicContact CD1-CG2 3.62Å; F74-I94 HydrophobicContact CE1-CB 3.9Å; F74-I94 HydrophobicContact CE1-CD1 3.58Å; F74-I94 HydrophobicContact CE1-CG1 4.33Å; F74-I94 HydrophobicContact CE1-CG2 3.72Å; F74-I94 HydrophobicContact CG-CB 4.41Å; F74-I94 HydrophobicContact CZ-CD1 3.76Å; S75-I94 PolarHBondContact N-O 3.47Å; G86-I94 CarbonylContact O-C 3.34Å; G86-I94 WeakPolarHBondContact O-CA 3.3Å; F87-I94 HydrophobicContact CD2-CG1 4.03Å; I94-L96 HydrophobicContact CG2-CD2 3.97Å; I94-L96 HydrophobicContact CG2-CG 4.33Å; I94-E114 HydrophobicContact CB-CB 4.21Å; I94-E114 HydrophobicContact CD1-CB 4.03Å; I94-E114 HydrophobicContact CG1-CB 3.89Å; I94-E114 HydrophobicContact CG2-CB 3.4Å; I94-E114 VanDerWaalsContact CG2-CB 3.4Å; I94-E114 HydrophobicContact CG2-CG 3.82Å; I94-L115 HydrophobicContact CD1-CD2 3.78Å; I94-L115 HydrophobicContact CD1-CG 3.96Å; I94-A118 HydrophobicContact CD1-CB 4.28Å
95V96.7Very high94.6Very high0 Ų037 Ų370%021%0.207CC..EExtended strand (participates in β ladder)trans-95.2134.9171.6-174.20000109.1F16 R19 S75 E77 G85 G86F16-V95 HydrophobicContact CD1-CB 4.01Å; F16-V95 HydrophobicContact CD1-CG1 3.67Å; F16-V95 HydrophobicContact CD1-CG2 4.33Å; F16-V95 HydrophobicContact CE1-CB 3.91Å; F16-V95 HydrophobicContact CE1-CG1 3.87Å; R19-V95 VanDerWaalsContact NE-CG2 3.35Å; R19-V95 VanDerWaalsContact NH2-CG2 3.32Å; S75-V95 CarbonylContact O-C 3.57Å; S75-V95 WeakPolarHBondContact O-CA 3.41Å; E77-V95 HydrophobicContact CB-CG1 3.8Å; E77-V95 HydrophobicContact CG-CG1 3.88Å; G85-V95 CarbonylContact C-O 3.55Å; G85-V95 WeakPolarHBondContact CA-O 3Å; G86-V95 PolarHBondContact N-O 3.39Å; G86-V95 PolarHBondContact O-N 3.44Å
96L97.3Very high94.5Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-116.6116.8175.6-58.2172.7000107.9L44 F74 S75 C76 E77 I94 Q98 I101 M107 V110 V111L44-L96 HydrophobicContact CB-CD1 4.13Å; L44-L96 HydrophobicContact CD1-CD1 3.85Å; L44-L96 HydrophobicContact CD2-CD1 3.89Å; L44-L96 HydrophobicContact CG-CD1 4.16Å; F74-L96 HydrophobicContact CD1-CD1 4.03Å; F74-L96 HydrophobicContact CD1-CG 4.44Å; S75-L96 PolarHBondContact O-N 3.5Å; C76-L96 WeakPolarHBondContact CA-O 3.42Å; E77-L96 PolarHBondContact N-O 3.45Å; I94-L96 HydrophobicContact CG2-CD2 3.97Å; I94-L96 HydrophobicContact CG2-CG 4.33Å; L96-Q98 PolarHBondContact O-N 2.94Å; L96-I101 HydrophobicContact CB-CD1 4.19Å; L96-I101 HydrophobicContact CD2-CD1 4.5Å; L96-M107 HydrophobicContact CD1-CE 4.26Å; L96-M107 HydrophobicContact CD1-SD 3.86Å; L96-M107 HydrophobicContact CD2-SD 4.18Å; L96-M107 HydrophobicContact CG-SD 4.46Å; L96-V110 HydrophobicContact CD2-CG1 3.74Å; L96-V111 HydrophobicContact CD1-CG2 4.17Å; L96-V111 HydrophobicContact CD2-CG2 3.89Å
97C94.9Very high94.6Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-78.991.2-175.4-59.10000110E77 C79 S84 N99 N100 I101E77-C97 CarbonylContact O-C 3.44Å; E77-C97 WeakPolarHBondContact O-CA 3.49Å; C79-C97 HydrophobicContact CB-CB 3.52Å; C79-C97 WeakPolarHBondContact CB-SG 3.02Å; C79-C97 WeakPolarHBondContact SG-CA 3.48Å; C79-C97 WeakPolarHBondContact SG-CB 3.02Å; C79-C97 CovalentContact SG-SG 2.03Å; C79-C97 PolarHBondContact SG-SG 3.27Å; S84-C97 VanDerWaalsContact C-SG 3.58Å; S84-C97 WeakPolarHBondContact O-CB 3.02Å; S84-C97 PolarHBondContact O-N 3.36Å; C97-N99 PolarHBondContact O-N 2.03Å; C97-N99 VanDerWaalsContact O-N 3.17Å; C97-N100 HydrophobicContact CB-CB 4.23Å; C97-N100 PolarHBondContact O-N 2.97Å; C97-I101 WeakPolarHBondContact O-CG1 3.38Å; C97-I101 PolarHBondContact O-N 2.94Å
98Q93Very high94.6Very high15 Ų1538.3 Ų38.37%0.0721%0.208CC..THydrogen-bonded Turntrans-61.7-29.4-169.969.3-177.815.100112.4N37 C40 E77 D78 L96 N100N37-Q98 VanDerWaalsContact CA-OE1 3.26Å; C40-Q98 HydrophobicContact CB-CB 3.83Å; E77-Q98 PolarHBondContact O-N 3.07Å; D78-Q98 WeakPolarHBondContact OD1-CG 3.36Å; D78-Q98 PolarHBondContact OD1-NE2 2.99Å; L96-Q98 PolarHBondContact O-N 2.94Å; Q98-N100 VanDerWaalsContact C-N 3.28Å; Q98-N100 PolarHBondContact O-N 3.07Å
99N92.3Very high94.7Very high51 Ų5139.9 Ų39.927%0.27321%0.212SC..THydrogen-bonded Turntrans-71.8-18.2176.463.3-46.4000113.5C79 C97 H102C79-N99 PolarHBondContact N-OD1 3.14Å; C79-N99 PolarHBondContact O-ND2 3.13Å; C97-N99 PolarHBondContact O-N 2.03Å; C97-N99 VanDerWaalsContact O-N 3.17Å; N99-H102 PolarHBondContact O-CE1 2.99Å; N99-H102 PolarHBondContact O-NE2 3.25Å
100N92.5Very high94.8Very high34 Ų3439.7 Ų39.718%0.18221%0.21CC..THydrogen-bonded Turntrans-111.8-13.9-177.8-61.3-26.3000113.1D80 V83 C97 Q98 H106D80-N100 PolarHBondContact O-ND2 3.39Å; V83-N100 PolarHBondContact O-ND2 3.37Å; C97-N100 HydrophobicContact CB-CB 4.23Å; C97-N100 PolarHBondContact O-N 2.97Å; Q98-N100 VanDerWaalsContact C-N 3.28Å; Q98-N100 PolarHBondContact O-N 3.07Å; N100-H106 PolarHBondContact O-ND1 3.17Å
101I93.6Very high95.2Very high6 Ų634.7 Ų34.73%0.03118%0.179CC..  trans-102100.9178.3-54.3171.6000111.1M43 S84 L96 C97 H106 M107 V110M43-I101 HydrophobicContact CE-CG2 3.79Å; S84-I101 WeakPolarHBondContact O-CD1 3.13Å; L96-I101 HydrophobicContact CB-CD1 4.19Å; L96-I101 HydrophobicContact CD2-CD1 4.5Å; C97-I101 WeakPolarHBondContact O-CG1 3.38Å; C97-I101 PolarHBondContact O-N 2.94Å; I101-H106 HydrophobicContact CG2-CB 4.21Å; I101-M107 HydrophobicContact CB-CE 4.46Å; I101-M107 HydrophobicContact CD1-CE 4.01Å; I101-M107 HydrophobicContact CD1-SD 3.94Å; I101-M107 HydrophobicContact CG2-CB 3.79Å; I101-M107 HydrophobicContact CG2-CE 3.97Å; I101-M107 HydrophobicContact CG2-SD 4.3Å; I101-V110 HydrophobicContact CD1-CB 4.17Å; I101-V110 HydrophobicContact CD1-CG1 4.08Å; I101-V110 HydrophobicContact CD1-CG2 4.12Å; I101-V110 HydrophobicContact CG1-CG2 4.34Å
102H90.8Very high95.5Very high114 Ų11433.2 Ų33.253%0.52817%0.169SC..  trans-101.8-18.7-177.6-55.9-47.9000115.6K39 N99K39-H102 PolarHBondContact NZ-O 3.42Å; K39-H102 VanDerWaalsContact NZ-O 3.1Å; N99-H102 PolarHBondContact O-CE1 2.99Å; N99-H102 PolarHBondContact O-NE2 3.25Å
103Q94.4Very high95.6Very high130 Ų13031.7 Ų31.761%0.60716%0.157SC*.SBendtrans-126.1145.4-172.3-59.3-17931.700111.7M43 S105 H106 M107M43-Q103 VanDerWaalsContact CE-O 3.29Å; M43-Q103 WeakPolarHBondContact CE-O 3.28Å; Q103-S105 VanDerWaalsContact C-N 3.27Å; Q103-S105 PolarHBondContact O-N 3.19Å; Q103-H106 HydrophobicContact CB-CB 4.47Å; Q103-H106 WeakPolarHBondContact O-CA 3.34Å; Q103-H106 WeakPolarHBondContact O-CB 3.36Å; Q103-H106 PolarHBondContact O-N 3.17Å; Q103-M107 PolarHBondContact O-N 3.45Å
104Q96.3Very high95.7Very high50 Ų5030 Ų3023%0.23415%0.15CC..Hα-helixtrans-59-37.3178.8-171.76252.300112.8M43 F46 H106 M107 N108M43-Q104 VanDerWaalsContact CA-OE1 3.26Å; M43-Q104 PolarHBondContact O-NE2 3.3Å; M43-Q104 PolarHBondContact O-OE1 3.35Å; F46-Q104 HydrophobicContact CD1-CG 3.67Å; F46-Q104 HydrophobicContact CE1-CG 4.05Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 2.89Å; Q104-M107 PolarHBondContact O-N 3.07Å; Q104-N108 PolarHBondContact NE2-OD1 2.83Å; Q104-N108 WeakPolarHBondContact O-CB 3.44Å; Q104-N108 PolarHBondContact O-N 3.44Å; Q104-N108 PolarHBondContact O-OD1 3.21Å
105S94.2Very high95.7Very high61 Ų6129.9 Ų29.943%0.42715%0.149SC..Hα-helixtrans-63.9-31.8175.7580000112.6Q103 R109Q103-S105 VanDerWaalsContact C-N 3.27Å; Q103-S105 PolarHBondContact O-N 3.19Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-NE 2.88Å
106H94.8Very high95.8Very high44 Ų4430 Ų3020%0.20415%0.149CC..Hα-helixtrans-73-46.9173.4-167.8-164.7000110.8S84 N100 I101 Q103 Q104 N108 R109 V110S84-H106 PolarHBondContact OG-CE1 3.37Å; S84-H106 PolarHBondContact OG-NE2 2.9Å; N100-H106 PolarHBondContact O-ND1 3.17Å; I101-H106 HydrophobicContact CG2-CB 4.21Å; Q103-H106 HydrophobicContact CB-CB 4.47Å; Q103-H106 WeakPolarHBondContact O-CA 3.34Å; Q103-H106 WeakPolarHBondContact O-CB 3.36Å; Q103-H106 PolarHBondContact O-N 3.17Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 2.89Å; H106-N108 VanDerWaalsContact C-N 3.32Å; H106-N108 PolarHBondContact O-N 3.21Å; H106-R109 PolarHBondContact O-N 3.29Å; H106-R109 VanDerWaalsContact O-N 3.11Å; H106-V110 WeakPolarHBondContact O-CG2 3.49Å; H106-V110 PolarHBondContact O-N 3.29Å
107M97Very high95.9Very high1 Ų130.2 Ų30.21%0.00515%0.15CC..Hα-helixtrans-54.9-46.8175.3-176.761.283.600112.1C40 M43 A47 L96 I101 Q103 Q104 R109 V110 V111C40-M107 HydrophobicContact CB-CE 4.47Å; M43-M107 HydrophobicContact CB-CB 4.27Å; M43-M107 HydrophobicContact CB-CE 3.9Å; M43-M107 HydrophobicContact CB-CG 3.94Å; M43-M107 HydrophobicContact CE-CB 3.65Å; M43-M107 HydrophobicContact CE-CE 4.28Å; M43-M107 HydrophobicContact CE-CG 4.39Å; A47-M107 HydrophobicContact CB-CG 4.17Å; L96-M107 HydrophobicContact CD1-CE 4.26Å; L96-M107 HydrophobicContact CD1-SD 3.86Å; L96-M107 HydrophobicContact CD2-SD 4.18Å; L96-M107 HydrophobicContact CG-SD 4.46Å; I101-M107 HydrophobicContact CB-CE 4.46Å; I101-M107 HydrophobicContact CD1-CE 4.01Å; I101-M107 HydrophobicContact CD1-SD 3.94Å; I101-M107 HydrophobicContact CG2-CB 3.79Å; I101-M107 HydrophobicContact CG2-CE 3.97Å; I101-M107 HydrophobicContact CG2-SD 4.3Å; Q103-M107 PolarHBondContact O-N 3.45Å; Q104-M107 PolarHBondContact O-N 3.07Å; M107-R109 PolarHBondContact O-N 2.93Å; M107-V110 PolarHBondContact O-N 2.91Å; M107-V111 HydrophobicContact CG-CG2 4.08Å; M107-V111 WeakPolarHBondContact O-CB 3.42Å; M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 3.26Å; M107-V111 HydrophobicContact SD-CG2 3.71Å
108N97.4Very high96.1Very high39 Ų3930.6 Ų30.621%0.20915%0.154CC..Hα-helixtrans-57.5-39.3179.8-69.6-7.3000112.2A47 Q104 H106 T112A47-N108 WeakPolarHBondContact CA-OD1 2.98Å; A47-N108 VanDerWaalsContact CB-OD1 3.27Å; A47-N108 WeakPolarHBondContact CB-OD1 3.43Å; Q104-N108 PolarHBondContact NE2-OD1 2.83Å; Q104-N108 WeakPolarHBondContact O-CB 3.44Å; Q104-N108 PolarHBondContact O-N 3.44Å; Q104-N108 PolarHBondContact O-OD1 3.21Å; H106-N108 VanDerWaalsContact C-N 3.32Å; H106-N108 PolarHBondContact O-N 3.21Å; N108-T112 WeakPolarHBondContact O-CB 3.45Å; N108-T112 PolarHBondContact O-N 3.05Å; N108-T112 VanDerWaalsContact O-N 3.14Å; N108-T112 PolarHBondContact O-OG1 3.41Å
109R95.8Very high96.3Very high49 Ų4930.4 Ų30.419%0.18515%0.152CC..Hα-helixtrans-72-47.8179.1-71.4177.1-67.9145-1.6111.4S105 H106 M107 T112 H113 N153S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-NE 2.88Å; H106-R109 PolarHBondContact O-N 3.29Å; H106-R109 VanDerWaalsContact O-N 3.11Å; M107-R109 PolarHBondContact O-N 2.93Å; R109-T112 PolarHBondContact O-N 3.24Å; R109-H113 WeakPolarHBondContact O-CB 3.36Å; R109-H113 PolarHBondContact O-N 2.9Å; R109-N153 VanDerWaalsContact CD-ND2 3.34Å; R109-N153 WeakPolarHBondContact CD-ND2 3.45Å
110V97.4Very high96.6Very high9 Ų928 Ų286%0.05514%0.14CC..Hα-helixtrans-59.2-52.4177.5177.30000110.4L96 I101 H106 M107 T112 H113 E114L96-V110 HydrophobicContact CD2-CG1 3.74Å; I101-V110 HydrophobicContact CD1-CB 4.17Å; I101-V110 HydrophobicContact CD1-CG1 4.08Å; I101-V110 HydrophobicContact CD1-CG2 4.12Å; I101-V110 HydrophobicContact CG1-CG2 4.34Å; H106-V110 WeakPolarHBondContact O-CG2 3.49Å; H106-V110 PolarHBondContact O-N 3.29Å; M107-V110 PolarHBondContact O-N 2.91Å; V110-T112 PolarHBondContact O-N 3.05Å; V110-H113 WeakPolarHBondContact O-CB 3.46Å; V110-H113 PolarHBondContact O-N 3.38Å; V110-H113 VanDerWaalsContact O-N 3.08Å; V110-E114 HydrophobicContact CG1-CG 4.11Å; V110-E114 WeakPolarHBondContact O-CG 3.47Å; V110-E114 PolarHBondContact O-N 3.34Å
111V98.4Very high96.9Very high0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-56.2-41.2178168.70000111.5L44 A47 A54 F74 L96 M107 L115L44-V111 HydrophobicContact CD1-CG1 4.4Å; L44-V111 HydrophobicContact CD1-CG2 3.73Å; A47-V111 HydrophobicContact CB-CB 4.41Å; A47-V111 HydrophobicContact CB-CG1 4.46Å; A47-V111 HydrophobicContact CB-CG2 4.25Å; A54-V111 HydrophobicContact CB-CG1 4.4Å; F74-V111 HydrophobicContact CE1-CG1 4.11Å; F74-V111 HydrophobicContact CE1-CG2 4.47Å; F74-V111 HydrophobicContact CZ-CG1 4.33Å; L96-V111 HydrophobicContact CD1-CG2 4.17Å; L96-V111 HydrophobicContact CD2-CG2 3.89Å; M107-V111 HydrophobicContact CG-CG2 4.08Å; M107-V111 WeakPolarHBondContact O-CB 3.42Å; M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 3.26Å; M107-V111 HydrophobicContact SD-CG2 3.71Å; V111-L115 HydrophobicContact CG1-CD1 3.74Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 WeakPolarHBondContact O-CB 3.42Å; V111-L115 WeakPolarHBondContact O-CD1 3.1Å; V111-L115 WeakPolarHBondContact O-CG 3.39Å; V111-L115 PolarHBondContact O-N 3.22Å
112T98.4Very high97Very high1 Ų129.5 Ų29.51%0.00615%0.147CC..Hα-helixtrans-67.4-44.2177.7-56.80000111.7Y53 L57 N108 R109 V110 L115 I116 F207Y53-T112 WeakPolarHBondContact CB-OG1 2.89Å; Y53-T112 HydrophobicContact CD1-CG2 3.91Å; Y53-T112 HydrophobicContact CG-CG2 4.1Å; L57-T112 HydrophobicContact CD1-CG2 3.78Å; N108-T112 WeakPolarHBondContact O-CB 3.45Å; N108-T112 PolarHBondContact O-N 3.05Å; N108-T112 VanDerWaalsContact O-N 3.14Å; N108-T112 PolarHBondContact O-OG1 3.41Å; R109-T112 PolarHBondContact O-N 3.24Å; V110-T112 PolarHBondContact O-N 3.05Å; T112-L115 PolarHBondContact O-N 3.19Å; T112-I116 HydrophobicContact CG2-CD1 4.13Å; T112-I116 WeakPolarHBondContact O-CD1 3.49Å; T112-I116 VanDerWaalsContact O-CG1 3.3Å; T112-I116 WeakPolarHBondContact O-CG1 3.49Å; T112-I116 PolarHBondContact O-N 3.11Å; T112-F207 HydrophobicContact CG2-CZ 4.43Å
113H98.3Very high97.3Very high11 Ų1128.1 Ų28.15%0.05114%0.137CC..Hα-helixtrans-57.1-53.2177.5-170.3106.1000110.9R109 V110 L115 I116 H117 E139 A142 D148R109-H113 WeakPolarHBondContact O-CB 3.36Å; R109-H113 PolarHBondContact O-N 2.9Å; V110-H113 WeakPolarHBondContact O-CB 3.46Å; V110-H113 PolarHBondContact O-N 3.38Å; V110-H113 VanDerWaalsContact O-N 3.08Å; H113-L115 PolarHBondContact O-N 3.32Å; H113-I116 WeakPolarHBondContact O-CB 2.92Å; H113-I116 PolarHBondContact O-N 2.87Å; H113-I116 VanDerWaalsContact O-N 3.09Å; H113-H117 AromaticContact CD2-CD2 3.75Å; H113-H117 AromaticContact CD2-NE2 3.4Å; H113-H117 PolarHBondContact CD2-NE2 3.21Å; H113-H117 AromaticContact NE2-NE2 3.21Å; H113-H117 PolarHBondContact NE2-NE2 2.96Å; H113-H117 PolarHBondContact O-N 3.45Å; H113-E139 IonicContact NE2-OE2 3.52Å; H113-A142 VanDerWaalsContact CE1-CB 3.42Å; H113-A142 WeakPolarHBondContact CE1-CB 3.22Å; H113-D148 IonicContact CE1-OD2 3.69Å; H113-D148 IonicContact CG-OD2 2.72Å; H113-D148 IonicContact ND1-OD2 3.95Å; H113-D148 PolarHBondContact ND1-OD2 2.89Å
114E98.6Very high97.3Very high13 Ų1324.5 Ų24.56%0.06113%0.129CC..Hα-helixtrans-69.8-31.1-179-54.4-46.9144.700112.8G86 F87 I94 V110 I116 H117 A118G86-E114 VanDerWaalsContact CA-CD 3.48Å; G86-E114 WeakPolarHBondContact CA-OE2 3.37Å; F87-E114 PolarHBondContact N-OE2 3.25Å; I94-E114 HydrophobicContact CB-CB 4.21Å; I94-E114 HydrophobicContact CD1-CB 4.03Å; I94-E114 HydrophobicContact CG1-CB 3.89Å; I94-E114 HydrophobicContact CG2-CB 3.4Å; I94-E114 VanDerWaalsContact CG2-CB 3.4Å; I94-E114 HydrophobicContact CG2-CG 3.82Å; V110-E114 HydrophobicContact CG1-CG 4.11Å; V110-E114 WeakPolarHBondContact O-CG 3.47Å; V110-E114 PolarHBondContact O-N 3.34Å; E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.84Å; E114-H117 WeakPolarHBondContact O-CB 3.04Å; E114-H117 PolarHBondContact O-N 2.88Å; E114-H117 IonicContact OE2-CD2 2.97Å; E114-H117 PolarHBondContact OE2-CD2 2.83Å; E114-A118 PolarHBondContact O-N 3.43Å
115L98.7Very high97.2Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-67-30.2171.4-81.2172000112.5A54 L57 L58 M61 V68 F74 I94 V111 T112 H113 A118 F119A54-L115 HydrophobicContact CB-CD1 4.08Å; L57-L115 HydrophobicContact CB-CB 4.17Å; L57-L115 HydrophobicContact CB-CD1 4.33Å; L57-L115 HydrophobicContact CD1-CB 3.72Å; L57-L115 HydrophobicContact CG-CB 4.47Å; L58-L115 HydrophobicContact CD2-CD1 4.29Å; L58-L115 HydrophobicContact CD2-CD2 3.92Å; L58-L115 HydrophobicContact CG-CD1 4.26Å; M61-L115 HydrophobicContact SD-CD2 4.06Å; V68-L115 HydrophobicContact CG1-CD2 4.22Å; V68-L115 HydrophobicContact CG2-CD2 4.39Å; F74-L115 HydrophobicContact CZ-CD1 4.42Å; F74-L115 HydrophobicContact CZ-CD2 3.94Å; F74-L115 HydrophobicContact CZ-CG 4.14Å; I94-L115 HydrophobicContact CD1-CD2 3.78Å; I94-L115 HydrophobicContact CD1-CG 3.96Å; V111-L115 HydrophobicContact CG1-CD1 3.74Å; V111-L115 HydrophobicContact CG1-CG 4.35Å; V111-L115 WeakPolarHBondContact O-CB 3.42Å; V111-L115 WeakPolarHBondContact O-CD1 3.1Å; V111-L115 WeakPolarHBondContact O-CG 3.39Å; V111-L115 PolarHBondContact O-N 3.22Å; T112-L115 PolarHBondContact O-N 3.19Å; H113-L115 PolarHBondContact O-N 3.32Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-F119 VanDerWaalsContact O-CB 3.26Å; L115-F119 WeakPolarHBondContact O-CB 3.28Å; L115-F119 PolarHBondContact O-N 3.09Å
116I98.7Very high97.3Very high1 Ų127.2 Ų27.21%0.00514%0.136CC..Hα-helixtrans-66.1-45.2172.9-69.2156.7000109.3L57 T112 H113 E114 A118 F119 D120 R141 A142 L145 F207L57-I116 HydrophobicContact CD1-CG1 3.88Å; L57-I116 HydrophobicContact CD2-CG1 4.06Å; T112-I116 HydrophobicContact CG2-CD1 4.13Å; T112-I116 WeakPolarHBondContact O-CD1 3.49Å; T112-I116 VanDerWaalsContact O-CG1 3.3Å; T112-I116 WeakPolarHBondContact O-CG1 3.49Å; T112-I116 PolarHBondContact O-N 3.11Å; H113-I116 WeakPolarHBondContact O-CB 2.92Å; H113-I116 PolarHBondContact O-N 2.87Å; H113-I116 VanDerWaalsContact O-N 3.09Å; E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.84Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.48Å; I116-F119 PolarHBondContact O-N 3.32Å; I116-D120 WeakPolarHBondContact O-CB 3.41Å; I116-D120 PolarHBondContact O-N 2.75Å; I116-D120 VanDerWaalsContact O-OD1 3.07Å; I116-R141 HydrophobicContact CG2-CB 4.17Å; I116-A142 HydrophobicContact CB-CB 4.31Å; I116-A142 HydrophobicContact CG2-CB 4.15Å; I116-L145 HydrophobicContact CD1-CB 3.71Å; I116-F207 HydrophobicContact CG1-CE2 4.45Å
117H98.5Very high97.3Very high6 Ų627.7 Ų27.73%0.02814%0.14CC..Hα-helixtrans-57.4-45.6172.8-67.9-42.2000112.4F87 H113 E114 F119 D120 H121 W128 S138 E139F87-H117 HydrophobicContact CB-CB 3.61Å; F87-H117 HydrophobicContact CD1-CB 3.98Å; F87-H117 HydrophobicContact CG-CB 3.91Å; H113-H117 AromaticContact CD2-CD2 3.75Å; H113-H117 AromaticContact CD2-NE2 3.4Å; H113-H117 PolarHBondContact CD2-NE2 3.21Å; H113-H117 AromaticContact NE2-NE2 3.21Å; H113-H117 PolarHBondContact NE2-NE2 2.96Å; H113-H117 PolarHBondContact O-N 3.45Å; E114-H117 WeakPolarHBondContact O-CB 3.04Å; E114-H117 PolarHBondContact O-N 2.88Å; E114-H117 IonicContact OE2-CD2 2.97Å; E114-H117 PolarHBondContact OE2-CD2 2.83Å; H117-F119 PolarHBondContact O-N 2.89Å; H117-D120 PolarHBondContact O-N 2.73Å; H117-H121 WeakPolarHBondContact O-CB 3.03Å; H117-H121 PolarHBondContact O-N 3.45Å; H117-W128 HydrophobicContact CB-CH2 3.64Å; H117-W128 HydrophobicContact CB-CZ2 4.28Å; H117-W128 HydrophobicContact CB-CZ3 4.45Å; H117-W128 AromaticContact CG-CH2 3.87Å; H117-W128 AromaticContact ND1-CH2 3.63Å; H117-W128 AromaticContact ND1-CZ3 3.9Å; H117-W128 WeakPolarHBondContact O-CZ2 3.46Å; H117-S138 PolarHBondContact ND1-OG 2.89Å; H117-E139 IonicContact CE1-OE1 3.01Å; H117-E139 IonicContact CE1-OE2 2.6Å; H117-E139 IonicContact NE2-OE1 3.94Å; H117-E139 IonicContact NE2-OE2 2.73Å
118A98.4Very high97.1Very high8 Ų828.6 Ų28.67%0.06614%0.143CC..Hα-helixtrans-63.1-40.5177.300000112.5M61 F87 I94 E114 L115 I116 C122M61-A118 HydrophobicContact CE-CB 3.66Å; M61-A118 HydrophobicContact SD-CB 4.23Å; F87-A118 HydrophobicContact CD2-CB 3.82Å; F87-A118 HydrophobicContact CE2-CB 3.62Å; F87-A118 HydrophobicContact CZ-CB 4.25Å; I94-A118 HydrophobicContact CD1-CB 4.28Å; E114-A118 PolarHBondContact O-N 3.43Å; L115-A118 PolarHBondContact O-N 3.4Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.48Å; A118-C122 WeakPolarHBondContact O-CB 3.22Å; A118-C122 PolarHBondContact O-N 3.01Å
119F98.5Very high96.7Very high10 Ų1029.2 Ų29.24%0.04414%0.144CC..Hα-helixtrans-65.1-39.2175.4177-113.5000111.9L57 A60 M61 L115 I116 H117 C122 R123 A205 P206L57-F119 HydrophobicContact CD2-CB 4.19Å; L57-F119 HydrophobicContact CD2-CD1 4.43Å; L57-F119 HydrophobicContact CD2-CG 4.33Å; A60-F119 HydrophobicContact CB-CD2 4.34Å; A60-F119 HydrophobicContact CB-CE2 3.85Å; A60-F119 HydrophobicContact CB-CZ 4.42Å; M61-F119 HydrophobicContact CG-CB 4.01Å; M61-F119 HydrophobicContact CG-CD2 3.75Å; M61-F119 HydrophobicContact CG-CG 4.36Å; M61-F119 HydrophobicContact SD-CB 4.17Å; L115-F119 VanDerWaalsContact O-CB 3.26Å; L115-F119 WeakPolarHBondContact O-CB 3.28Å; L115-F119 PolarHBondContact O-N 3.09Å; I116-F119 PolarHBondContact O-N 3.32Å; H117-F119 PolarHBondContact O-N 2.89Å; F119-C122 WeakPolarHBondContact O-CB 3.42Å; F119-C122 PolarHBondContact O-N 3.01Å; F119-R123 HydrophobicContact CE1-CG 4.48Å; F119-R123 PolarHBondContact O-N 3.32Å; F119-A205 HydrophobicContact CE1-CB 4.2Å; F119-P206 HydrophobicContact CD1-CG 4.07Å; F119-P206 HydrophobicContact CD2-CG 4.44Å; F119-P206 HydrophobicContact CE1-CB 4.1Å; F119-P206 VanDerWaalsContact CE1-CD 3.41Å; F119-P206 HydrophobicContact CE1-CG 3.59Å; F119-P206 HydrophobicContact CE2-CB 4.4Å; F119-P206 HydrophobicContact CE2-CG 4.04Å; F119-P206 HydrophobicContact CG-CG 4.46Å; F119-P206 HydrophobicContact CZ-CB 3.77Å; F119-P206 HydrophobicContact CZ-CG 3.59Å
120D98.5Very high96.4Very high1 Ų133 Ų331%0.00517%0.168CC..Hα-helixtrans-67.4-44.8178.4-66.3-3.3000111.1I116 H117 C122 R123 A124 V126 S138 R141I116-D120 WeakPolarHBondContact O-CB 3.41Å; I116-D120 PolarHBondContact O-N 2.75Å; I116-D120 VanDerWaalsContact O-OD1 3.07Å; H117-D120 PolarHBondContact O-N 2.73Å; D120-C122 VanDerWaalsContact C-N 3.28Å; D120-C122 PolarHBondContact O-N 2.02Å; D120-R123 PolarHBondContact O-N 3.01Å; D120-A124 WeakPolarHBondContact O-CA 3.47Å; D120-A124 WeakPolarHBondContact O-CB 3.33Å; D120-A124 PolarHBondContact O-N 3.37Å; D120-V126 HydrophobicContact CB-CG2 3.8Å; D120-V126 WeakPolarHBondContact O-CG2 3.34Å; D120-S138 WeakPolarHBondContact CB-OG 3.05Å; D120-S138 PolarHBondContact OD2-OG 3.08Å; D120-R141 IonicContact OD1-CZ 2.88Å; D120-R141 IonicContact OD1-NH1 3.67Å; D120-R141 PolarHBondContact OD1-NH1 2.6Å; D120-R141 IonicContact OD1-NH2 3.83Å; D120-R141 PolarHBondContact OD1-NH2 3.25Å; D120-R141 IonicContact OD2-CZ 2.71Å; D120-R141 IonicContact OD2-NH1 3.12Å; D120-R141 PolarHBondContact OD2-NH1 3.06Å; D120-R141 IonicContact OD2-NH2 3.88Å
121H97.8Very high96.2Very high53 Ų5334.9 Ų34.925%0.24518%0.178CC..Hα-helixtrans-55.2-46.4172.9-173.757.3000111.5F87 H117 H125 W128F87-H121 HydrophobicContact CE1-CB 3.62Å; F87-H121 AromaticContact CE1-CG 3.79Å; F87-H121 HydrophobicContact CZ-CB 3.84Å; F87-H121 AromaticContact CZ-CD2 3.78Å; F87-H121 AromaticContact CZ-CG 3.91Å; H117-H121 WeakPolarHBondContact O-CB 3.03Å; H117-H121 PolarHBondContact O-N 3.45Å; H121-H125 WeakPolarHBondContact O-CA 3.32Å; H121-H125 PolarHBondContact O-N 3.38Å; H121-W128 HydrophobicContact CB-CZ2 3.93Å; H121-W128 AromaticContact CE1-NE1 3.85Å; H121-W128 AromaticContact CG-NE1 3.57Å; H121-W128 AromaticContact ND1-CD1 3.64Å; H121-W128 AromaticContact ND1-NE1 2.97Å; H121-W128 PolarHBondContact ND1-NE1 2.9Å
122C96.6Very high95.9Very high18 Ų1838.2 Ų38.212%0.12219%0.193CC..Hα-helixtrans-64.2-51.3179.1169.70000112.9C66 A118 F119 D120C66-C122 HydrophobicContact CB-CB 3.62Å; C66-C122 WeakPolarHBondContact CB-SG 3.25Å; C66-C122 WeakPolarHBondContact SG-CB 3.21Å; C66-C122 CovalentContact SG-SG 2.02Å; C66-C122 PolarHBondContact SG-SG 3.26Å; A118-C122 WeakPolarHBondContact O-CB 3.22Å; A118-C122 PolarHBondContact O-N 3.01Å; F119-C122 WeakPolarHBondContact O-CB 3.42Å; F119-C122 PolarHBondContact O-N 3.01Å; D120-C122 VanDerWaalsContact C-N 3.28Å; D120-C122 PolarHBondContact O-N 2.02Å
123R96.2Very high95.8Very high86 Ų8642.3 Ų42.333%0.32521%0.21SC..Hα-helixtrans-88.5-28.8-167.786.8-173.4-177112.33.5114.4F119 D120 D203F119-R123 HydrophobicContact CE1-CG 4.48Å; F119-R123 PolarHBondContact O-N 3.32Å; D120-R123 PolarHBondContact O-N 3.01Å; R123-D203 IonicContact CZ-OD1 3.86Å; R123-D203 IonicContact CZ-OD2 3.86Å; R123-D203 IonicContact NH1-OD1 3.69Å; R123-D203 IonicContact NH1-OD2 2.99Å; R123-D203 IonicContact NH2-OD1 3.79Å; R123-D203 PolarHBondContact NH2-OD1 3.28Å; R123-D203 IonicContact NH2-OD2 3.82Å; R123-D203 PolarHBondContact NH2-OD2 2.99Å
124A94.9Very high95.8Very high53 Ų5345.4 Ų45.444%0.43822%0.224SC..Hα-helixtrans-118.41.3-169.800000112.4D120 V126D120-A124 WeakPolarHBondContact O-CA 3.47Å; D120-A124 WeakPolarHBondContact O-CB 3.33Å; D120-A124 PolarHBondContact O-N 3.37Å; A124-V126 HydrophobicContact CB-CG2 4.37Å; A124-V126 PolarHBondContact O-N 3.35Å
125H94.4Very high95.7Very high155 Ų15545 Ų4572%0.71822%0.223SC*.  trans4949.1-179.8-55.3-57.7000111.8H121 D127H121-H125 WeakPolarHBondContact O-CA 3.32Å; H121-H125 PolarHBondContact O-N 3.38Å; H125-D127 PolarHBondContact O-N 2.95Å
126V95.8Very high95.7Very high14 Ų1445 Ų459%0.08522%0.223CC..  trans-52.2128-179176.10000109.6D120 A124 W128 H134D120-V126 HydrophobicContact CB-CG2 3.8Å; D120-V126 WeakPolarHBondContact O-CG2 3.34Å; A124-V126 HydrophobicContact CB-CG2 4.37Å; A124-V126 PolarHBondContact O-N 3.35Å; V126-W128 HydrophobicContact CB-CD2 4.29Å; V126-W128 HydrophobicContact CB-CZ2 3.86Å; V126-W128 HydrophobicContact CG1-CD2 3.55Å; V126-W128 VanDerWaalsContact CG1-CE2 3.46Å; V126-W128 HydrophobicContact CG1-CE3 3.85Å; V126-W128 HydrophobicContact CG1-CG 4.06Å; V126-W128 HydrophobicContact CG1-CH2 3.98Å; V126-W128 HydrophobicContact CG1-CZ2 3.69Å; V126-W128 HydrophobicContact CG1-CZ3 4.06Å; V126-W128 HydrophobicContact CG2-CZ2 4.33Å; V126-W128 PolarHBondContact O-N 3.42Å; V126-W128 PolarHBondContact O-NE1 2.83Å; V126-H134 HydrophobicContact CG1-CB 3.94Å
127D94.6Very high95.6Very high54 Ų5446.4 Ų46.429%0.28923%0.233SC..  trans-9389.8174.7176.70.8000106.9H125 F129 N130 N131 H134H125-D127 PolarHBondContact O-N 2.95Å; D127-F129 PolarHBondContact O-N 3.08Å; D127-F129 PolarHBondContact OD1-N 3.46Å; D127-N130 PolarHBondContact OD1-N 2.82Å; D127-N130 PolarHBondContact OD1-ND2 3.29Å; D127-N130 WeakPolarHBondContact OD2-CB 3.39Å; D127-N131 HydrophobicContact CB-CB 3.87Å; D127-H134 PolarHBondContact N-ND1 3.42Å
128W93.6Very high95.6Very high19 Ų1946.2 Ų46.27%0.07223%0.232CC..THydrogen-bonded Turntrans-64.5-30.1-174.8-6198.4000112.4F87 A89 H117 H121 V126 L135 S138 R182F87-W128 HydrophobicContact CD1-CH2 4.23Å; F87-W128 AromaticContact CD1-CZ2 3.78Å; F87-W128 HydrophobicContact CD1-CZ2 3.78Å; F87-W128 AromaticContact CE1-CE2 3.96Å; F87-W128 AromaticContact CE1-CZ2 3.86Å; F87-W128 HydrophobicContact CE1-CZ2 3.86Å; F87-W128 AromaticContact CE1-NE1 3.91Å; A89-W128 HydrophobicContact CB-CG 3.88Å; H117-W128 HydrophobicContact CB-CH2 3.64Å; H117-W128 HydrophobicContact CB-CZ2 4.28Å; H117-W128 HydrophobicContact CB-CZ3 4.45Å; H117-W128 AromaticContact CG-CH2 3.87Å; H117-W128 AromaticContact ND1-CH2 3.63Å; H117-W128 AromaticContact ND1-CZ3 3.9Å; H117-W128 WeakPolarHBondContact O-CZ2 3.46Å; H121-W128 HydrophobicContact CB-CZ2 3.93Å; H121-W128 AromaticContact CE1-NE1 3.85Å; H121-W128 AromaticContact CG-NE1 3.57Å; H121-W128 AromaticContact ND1-CD1 3.64Å; H121-W128 AromaticContact ND1-NE1 2.97Å; H121-W128 PolarHBondContact ND1-NE1 2.9Å; V126-W128 HydrophobicContact CB-CD2 4.29Å; V126-W128 HydrophobicContact CB-CZ2 3.86Å; V126-W128 HydrophobicContact CG1-CD2 3.55Å; V126-W128 VanDerWaalsContact CG1-CE2 3.46Å; V126-W128 HydrophobicContact CG1-CE3 3.85Å; V126-W128 HydrophobicContact CG1-CG 4.06Å; V126-W128 HydrophobicContact CG1-CH2 3.98Å; V126-W128 HydrophobicContact CG1-CZ2 3.69Å; V126-W128 HydrophobicContact CG1-CZ3 4.06Å; V126-W128 HydrophobicContact CG2-CZ2 4.33Å; V126-W128 PolarHBondContact O-N 3.42Å; V126-W128 PolarHBondContact O-NE1 2.83Å; W128-L135 HydrophobicContact CE3-CD1 3.92Å; W128-L135 HydrophobicContact CZ3-CD1 4.18Å; W128-S138 WeakPolarHBondContact CH2-OG 3.32Å; W128-R182 PolarHBondContact O-NH2 3.47Å
129F88.6Confident95.6Very high52 Ų5246.5 Ų46.523%0.22823%0.232CC..THydrogen-bonded Turntrans-101.3-39.8-163.4-59.6-63.7000112.8Y11 Y13 A89 D127Y11-F129 AromaticContact CD1-CD1 3.49Å; Y11-F129 HydrophobicContact CD1-CD1 3.49Å; Y11-F129 VanDerWaalsContact CD1-CD1 3.49Å; Y11-F129 HydrophobicContact CD1-CE1 4.17Å; Y11-F129 HydrophobicContact CD1-CG 4.5Å; Y11-F129 AromaticContact CD2-CD1 3.45Å; Y11-F129 HydrophobicContact CD2-CD1 3.45Å; Y11-F129 VanDerWaalsContact CD2-CD1 3.45Å; Y11-F129 AromaticContact CD2-CE1 3.57Å; Y11-F129 HydrophobicContact CD2-CE1 3.57Å; Y11-F129 HydrophobicContact CD2-CG 4.48Å; Y11-F129 HydrophobicContact CE1-CB 3.84Å; Y11-F129 AromaticContact CE1-CD1 3.54Å; Y11-F129 HydrophobicContact CE1-CD1 3.54Å; Y11-F129 HydrophobicContact CE1-CG 4.14Å; Y11-F129 HydrophobicContact CE2-CB 4.36Å; Y11-F129 AromaticContact CE2-CD1 3.47Å; Y11-F129 HydrophobicContact CE2-CD1 3.47Å; Y11-F129 VanDerWaalsContact CE2-CD1 3.47Å; Y11-F129 AromaticContact CE2-CE1 3.97Å; Y11-F129 HydrophobicContact CE2-CE1 3.97Å; Y11-F129 HydrophobicContact CE2-CG 4.1Å; Y11-F129 AromaticContact CG-CD1 3.44Å; Y11-F129 HydrophobicContact CG-CD1 3.44Å; Y11-F129 VanDerWaalsContact CG-CD1 3.44Å; Y11-F129 AromaticContact CG-CE1 3.66Å; Y11-F129 HydrophobicContact CG-CE1 3.66Å; Y11-F129 AromaticContact CZ-CD1 3.54Å; Y11-F129 AromaticContact CZ-CG 3.94Å; Y13-F129 HydrophobicContact CE2-CE1 4.4Å; A89-F129 HydrophobicContact CB-CE2 4.45Å; D127-F129 PolarHBondContact O-N 3.08Å; D127-F129 PolarHBondContact OD1-N 3.46Å
130N89.3Confident95.6Very high129 Ų12946 Ų4669%0.6923%0.23SC*.THydrogen-bonded Turntrans-108.3-8.8-172.1-47-72.7000113.3D127D127-N130 PolarHBondContact OD1-N 2.82Å; D127-N130 PolarHBondContact OD1-ND2 3.29Å; D127-N130 WeakPolarHBondContact OD2-CB 3.39Å
131N93.2Very high95.6Very high48 Ų4846.3 Ų46.326%0.25723%0.23SC..  trans-126.998-176.7-168-27000112.5D127 K133 H134 L135D127-N131 HydrophobicContact CB-CB 3.87Å; N131-K133 PolarHBondContact O-N 2.92Å; N131-K133 WeakPolarHBondContact OD1-CB 3.41Å; N131-K133 PolarHBondContact OD1-N 3.46Å; N131-K133 VanDerWaalsContact OD1-N 3.08Å; N131-H134 HydrophobicContact CB-CB 4.06Å; N131-H134 VanDerWaalsContact CG-CD2 3.47Å; N131-H134 PolarHBondContact ND2-CD2 2.78Å; N131-H134 PolarHBondContact ND2-NE2 3.27Å; N131-H134 WeakPolarHBondContact O-CB 3.05Å; N131-H134 PolarHBondContact O-N 3.47Å; N131-H134 PolarHBondContact OD1-N 3.37Å; N131-L135 PolarHBondContact O-N 2.93Å
132F92.7Very high95.7Very high71 Ų7143.8 Ų43.831%0.31122%0.219SC..Hα-helixtrans-62.9-27179.9-63.2-19.5000113.9H134 A136 R182 V184 V192F132-H134 VanDerWaalsContact C-N 3.35Å; F132-A136 VanDerWaalsContact O-CB 3.25Å; F132-A136 WeakPolarHBondContact O-CB 3.45Å; F132-A136 PolarHBondContact O-N 2.9Å; F132-R182 HydrophobicContact CE1-CG 4.28Å; F132-V184 HydrophobicContact CD2-CG1 4.23Å; F132-V184 HydrophobicContact CE2-CG1 3.54Å; F132-V184 HydrophobicContact CZ-CG1 3.83Å; F132-V192 HydrophobicContact CB-CG1 4.09Å; F132-V192 HydrophobicContact CB-CG2 4.41Å; F132-V192 WeakPolarHBondContact O-CG1 3.35Å
133K96.8Very high95.7Very high86 Ų8642.9 Ų42.937%0.37421%0.213SC..Hα-helixtrans-67.6-38.6174.8-64.9-176.9-168.5-176.90111.1N131 C137 V192 E195 V196N131-K133 PolarHBondContact O-N 2.92Å; N131-K133 WeakPolarHBondContact OD1-CB 3.41Å; N131-K133 PolarHBondContact OD1-N 3.46Å; N131-K133 VanDerWaalsContact OD1-N 3.08Å; K133-C137 WeakPolarHBondContact O-CB 3.29Å; K133-C137 PolarHBondContact O-N 2.85Å; K133-V192 HydrophobicContact CG-CG1 4.16Å; K133-E195 VanDerWaalsContact CE-CD 3.43Å; K133-E195 VanDerWaalsContact CE-OE1 3.28Å; K133-E195 WeakPolarHBondContact CE-OE1 3.45Å; K133-E195 WeakPolarHBondContact CE-OE2 3.29Å; K133-E195 IonicContact NZ-OE1 2.58Å; K133-E195 PolarHBondContact NZ-OE1 3.5Å; K133-E195 IonicContact NZ-OE2 3.32Å; K133-E195 PolarHBondContact NZ-OE2 2.92Å; K133-V196 HydrophobicContact CB-CG1 3.72Å; K133-V196 HydrophobicContact CD-CG1 4.27Å; K133-V196 HydrophobicContact CG-CG1 3.95Å
134H97.3Very high95.7Very high76 Ų7638.9 Ų38.935%0.35220%0.198SC..Hα-helixtrans-66.7-46.3176.9-75.7-155.7000110.9V126 D127 N131 F132 C137 S138V126-H134 HydrophobicContact CG1-CB 3.94Å; D127-H134 PolarHBondContact N-ND1 3.42Å; N131-H134 HydrophobicContact CB-CB 4.06Å; N131-H134 VanDerWaalsContact CG-CD2 3.47Å; N131-H134 PolarHBondContact ND2-CD2 2.78Å; N131-H134 PolarHBondContact ND2-NE2 3.27Å; N131-H134 WeakPolarHBondContact O-CB 3.05Å; N131-H134 PolarHBondContact O-N 3.47Å; N131-H134 PolarHBondContact OD1-N 3.37Å; F132-H134 VanDerWaalsContact C-N 3.35Å; H134-C137 PolarHBondContact O-N 3.25Å; H134-S138 PolarHBondContact O-N 2.88Å; H134-S138 VanDerWaalsContact O-N 3.09Å
135L96.6Very high95.8Very high5 Ų536.3 Ų36.33%0.02618%0.177CC..Hα-helixtrans-56.6-55173.4176.962.9000111W128 N131 C137 S138 E139 I178 V181 R182W128-L135 HydrophobicContact CE3-CD1 3.92Å; W128-L135 HydrophobicContact CZ3-CD1 4.18Å; N131-L135 PolarHBondContact O-N 2.93Å; L135-C137 VanDerWaalsContact C-N 3.28Å; L135-C137 PolarHBondContact O-N 2.82Å; L135-S138 PolarHBondContact O-N 2.77Å; L135-S138 VanDerWaalsContact O-N 3.13Å; L135-E139 HydrophobicContact CD1-CG 4.3Å; L135-E139 WeakPolarHBondContact O-CG 3.49Å; L135-E139 PolarHBondContact O-N 3.26Å; L135-I178 HydrophobicContact CD2-CG1 4.44Å; L135-I178 HydrophobicContact CG-CG1 4.42Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; L135-R182 HydrophobicContact CD2-CG 3.86Å
136A97.9Very high95.9Very high0 Ų029.1 Ų29.10%014%0.144CC..Hα-helixtrans-58.4-40.1-179.500000112.6F132 S138 E139 I140 I178 V192 V193 V196F132-A136 VanDerWaalsContact O-CB 3.25Å; F132-A136 WeakPolarHBondContact O-CB 3.45Å; F132-A136 PolarHBondContact O-N 2.9Å; A136-S138 PolarHBondContact O-N 2.71Å; A136-E139 PolarHBondContact O-N 3.42Å; A136-I140 WeakPolarHBondContact O-CB 3.4Å; A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.28Å; A136-I140 WeakPolarHBondContact O-CG1 3.49Å; A136-I140 PolarHBondContact O-N 3.44Å; A136-I178 HydrophobicContact CB-CD1 3.62Å; A136-V192 HydrophobicContact CB-CG1 3.73Å; A136-V193 HydrophobicContact CB-CG2 4.29Å; A136-V196 HydrophobicContact CB-CG2 4.01Å
137C98.5Very high95.7Very high31 Ų3128.7 Ų28.721%0.20914%0.143CC..Hα-helixtrans-61.5-44177.4-167.70000112.3K133 H134 L135 I140 R141 V196 C200K133-C137 WeakPolarHBondContact O-CB 3.29Å; K133-C137 PolarHBondContact O-N 2.85Å; H134-C137 PolarHBondContact O-N 3.25Å; L135-C137 VanDerWaalsContact C-N 3.28Å; L135-C137 PolarHBondContact O-N 2.82Å; C137-I140 PolarHBondContact O-N 3Å; C137-R141 WeakPolarHBondContact O-CG 3.39Å; C137-R141 PolarHBondContact O-N 3.3Å; C137-V196 HydrophobicContact CB-CG2 4.41Å; C137-C200 WeakPolarHBondContact CA-SG 2.97Å; C137-C200 HydrophobicContact CB-CB 3.96Å; C137-C200 WeakPolarHBondContact CB-SG 3.45Å; C137-C200 WeakPolarHBondContact SG-CB 3.14Å; C137-C200 CovalentContact SG-SG 2.02Å; C137-C200 PolarHBondContact SG-SG 3.49Å
138S98.4Very high95.3Very high1 Ų126.3 Ų26.31%0.00713%0.13CC..Hα-helixtrans-68.7-37.9178.4-162.40000111.6H117 D120 W128 H134 L135 A136 R141 A142H117-S138 PolarHBondContact ND1-OG 2.89Å; D120-S138 WeakPolarHBondContact CB-OG 3.05Å; D120-S138 PolarHBondContact OD2-OG 3.08Å; W128-S138 WeakPolarHBondContact CH2-OG 3.32Å; H134-S138 PolarHBondContact O-N 2.88Å; H134-S138 VanDerWaalsContact O-N 3.09Å; L135-S138 PolarHBondContact O-N 2.77Å; L135-S138 VanDerWaalsContact O-N 3.13Å; A136-S138 PolarHBondContact O-N 2.71Å; S138-R141 PolarHBondContact O-N 3.41Å; S138-A142 VanDerWaalsContact O-CB 3.28Å; S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.3Å
139E98.1Very high95Very high15 Ų1525.6 Ų25.67%0.0713%0.128CC..Hα-helixtrans-62.7-42173.6-69-64.416800113.1H113 H117 L135 A136 R141 A142 A143 A174 S177 I178H113-E139 IonicContact NE2-OE2 3.52Å; H117-E139 IonicContact CE1-OE1 3.01Å; H117-E139 IonicContact CE1-OE2 2.6Å; H117-E139 IonicContact NE2-OE1 3.94Å; H117-E139 IonicContact NE2-OE2 2.73Å; L135-E139 HydrophobicContact CD1-CG 4.3Å; L135-E139 WeakPolarHBondContact O-CG 3.49Å; L135-E139 PolarHBondContact O-N 3.26Å; A136-E139 PolarHBondContact O-N 3.42Å; E139-R141 VanDerWaalsContact C-N 3.35Å; E139-A142 PolarHBondContact O-N 3.01Å; E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.94Å; E139-A174 HydrophobicContact CB-CB 3.85Å; E139-S177 WeakPolarHBondContact OE1-CB 3.39Å; E139-S177 WeakPolarHBondContact OE2-CB 3.38Å; E139-S177 PolarHBondContact OE2-OG 3.44Å; E139-I178 HydrophobicContact CG-CG1 4.4Å
140I98.6Very high94.6Very high0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-59.6-48173.8-74.3156.8000110A136 C137 A143 N144 V170 A174 V193 V196 F197 C200 F201A136-I140 WeakPolarHBondContact O-CB 3.4Å; A136-I140 WeakPolarHBondContact O-CD1 3.24Å; A136-I140 VanDerWaalsContact O-CG1 3.28Å; A136-I140 WeakPolarHBondContact O-CG1 3.49Å; A136-I140 PolarHBondContact O-N 3.44Å; C137-I140 PolarHBondContact O-N 3Å; I140-A143 PolarHBondContact O-N 3.48Å; I140-N144 WeakPolarHBondContact O-CB 3.39Å; I140-N144 PolarHBondContact O-N 3.39Å; I140-V170 HydrophobicContact CB-CG1 4.34Å; I140-V170 HydrophobicContact CG2-CG1 3.85Å; I140-V170 WeakPolarHBondContact O-CG1 3.33Å; I140-A174 HydrophobicContact CG1-CB 3.77Å; I140-V193 HydrophobicContact CD1-CG1 4.26Å; I140-V193 HydrophobicContact CG1-CG1 4.5Å; I140-V196 HydrophobicContact CD1-CG2 3.63Å; I140-F197 HydrophobicContact CD1-CD2 4.19Å; I140-F197 HydrophobicContact CG1-CD2 4.28Å; I140-F197 HydrophobicContact CG2-CD2 4.46Å; I140-F197 HydrophobicContact CG2-CE2 4.48Å; I140-C200 HydrophobicContact CB-CB 4.12Å; I140-C200 HydrophobicContact CD1-CB 4.27Å; I140-C200 HydrophobicContact CG2-CB 3.85Å; I140-F201 HydrophobicContact CG2-CB 4.19Å
141R98.6Very high93.4Very high6 Ų625.3 Ų25.32%0.02312%0.123CC..Hα-helixtrans-66.9-41.6-179.1-75179.462.9-129.8-22.4112.2I116 D120 C137 S138 E139 N144 L145 C200 D203 A205I116-R141 HydrophobicContact CG2-CB 4.17Å; D120-R141 IonicContact OD1-CZ 2.88Å; D120-R141 IonicContact OD1-NH1 3.67Å; D120-R141 PolarHBondContact OD1-NH1 2.6Å; D120-R141 IonicContact OD1-NH2 3.83Å; D120-R141 PolarHBondContact OD1-NH2 3.25Å; D120-R141 IonicContact OD2-CZ 2.71Å; D120-R141 IonicContact OD2-NH1 3.12Å; D120-R141 PolarHBondContact OD2-NH1 3.06Å; D120-R141 IonicContact OD2-NH2 3.88Å; C137-R141 WeakPolarHBondContact O-CG 3.39Å; C137-R141 PolarHBondContact O-N 3.3Å; S138-R141 PolarHBondContact O-N 3.41Å; E139-R141 VanDerWaalsContact C-N 3.35Å; R141-N144 PolarHBondContact O-N 2.99Å; R141-L145 HydrophobicContact CB-CD1 4.49Å; R141-L145 WeakPolarHBondContact O-CB 3.42Å; R141-L145 WeakPolarHBondContact O-CG 3.37Å; R141-L145 PolarHBondContact O-N 2.04Å; R141-C200 HydrophobicContact CG-CB 4.36Å; R141-C200 WeakPolarHBondContact CG-O 3.34Å; R141-D203 PolarHBondContact NE-O 3.47Å; R141-D203 IonicContact NE-OD1 3.87Å; R141-D203 IonicContact NE-OD2 3.85Å; R141-A205 PolarHBondContact NH2-O 2.93Å
142A98.3Very high92Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-60.9-48.3176.300000111H113 I116 S138 E139 N144 S146H113-A142 VanDerWaalsContact CE1-CB 3.42Å; H113-A142 WeakPolarHBondContact CE1-CB 3.22Å; I116-A142 HydrophobicContact CB-CB 4.31Å; I116-A142 HydrophobicContact CG2-CB 4.15Å; S138-A142 VanDerWaalsContact O-CB 3.28Å; S138-A142 WeakPolarHBondContact O-CB 3.48Å; S138-A142 PolarHBondContact O-N 3.3Å; E139-A142 PolarHBondContact O-N 3.01Å; A142-N144 VanDerWaalsContact C-N 3.35Å; A142-N144 PolarHBondContact O-N 3.47Å; A142-S146 WeakPolarHBondContact O-CB 2.91Å; A142-S146 PolarHBondContact O-N 3.34Å; A142-S146 VanDerWaalsContact O-N 3.08Å; A142-S146 PolarHBondContact O-OG 3.12Å
143A96.9Very high90.5Very high0 Ų027.4 Ų27.40%013%0.133CC..Hα-helixtrans-64.8-35.3176.600000113.7E139 I140 V170 R173E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.94Å; I140-A143 PolarHBondContact O-N 3.48Å; A143-V170 HydrophobicContact CB-CB 4.5Å; A143-V170 HydrophobicContact CB-CG1 4.19Å; A143-V170 HydrophobicContact CB-CG2 4.42Å; A143-R173 HydrophobicContact CB-CB 3.64Å; A143-R173 HydrophobicContact CB-CG 4.37Å
144N96.9Very high88.8Confident1 Ų123.6 Ų23.61%0.00512%0.117CC..Hα-helixtrans-72.3-45-179-170.832.1000112.1I140 R141 A142 H166 V170 F201 I210I140-N144 WeakPolarHBondContact O-CB 3.39Å; I140-N144 PolarHBondContact O-N 3.39Å; R141-N144 PolarHBondContact O-N 2.99Å; A142-N144 VanDerWaalsContact C-N 3.35Å; A142-N144 PolarHBondContact O-N 3.47Å; N144-H166 PolarHBondContact OD1-NE2 3.14Å; N144-V170 HydrophobicContact CB-CG1 4.2Å; N144-V170 HydrophobicContact CB-CG2 3.94Å; N144-F201 HydrophobicContact CB-CD2 4.49Å; N144-F201 PolarHBondContact ND2-O 2.92Å; N144-F201 VanDerWaalsContact OD1-CE2 3.23Å; N144-F201 WeakPolarHBondContact OD1-CE2 3.35Å; N144-I210 WeakPolarHBondContact OD1-CD1 3.03Å
145L97.4Very high87Confident0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-100.7-14.8-167.4-57.2171.2000114.1Y53 I116 R141 G147 H204 F207 I210Y53-L145 WeakPolarHBondContact CD1-O 3.42Å; Y53-L145 WeakPolarHBondContact CE1-O 3.26Å; I116-L145 HydrophobicContact CD1-CB 3.71Å; R141-L145 HydrophobicContact CB-CD1 4.49Å; R141-L145 WeakPolarHBondContact O-CB 3.42Å; R141-L145 WeakPolarHBondContact O-CG 3.37Å; R141-L145 PolarHBondContact O-N 2.04Å; L145-G147 VanDerWaalsContact C-N 3.3Å; L145-G147 PolarHBondContact O-N 3.42Å; L145-H204 HydrophobicContact CD2-CB 4.47Å; L145-F207 HydrophobicContact CB-CD2 4.09Å; L145-F207 HydrophobicContact CB-CE2 4.03Å; L145-F207 HydrophobicContact CD1-CD2 4.1Å; L145-F207 HydrophobicContact CD2-CD2 4.42Å; L145-F207 HydrophobicContact CG-CD2 4.43Å; L145-I210 HydrophobicContact CD2-CG1 4.26Å
146S96.1Very high85.2Confident3 Ų326 Ų262%0.02114%0.139CC..SBendtrans-77-11.9-177.470.40000115.1A142 D148A142-S146 WeakPolarHBondContact O-CB 2.91Å; A142-S146 PolarHBondContact O-N 3.34Å; A142-S146 VanDerWaalsContact O-N 3.08Å; A142-S146 PolarHBondContact O-OG 3.12Å; S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 VanDerWaalsContact OG-CB 3.3Å; S146-D148 WeakPolarHBondContact OG-CB 3.26Å; S146-D148 PolarHBondContact OG-N 3.32Å; S146-D148 VanDerWaalsContact OG-N 3.12Å; S146-D148 PolarHBondContact OG-OD2 3.1Å
147G90.8Very high83.4Confident6 Ų630.2 Ų30.26%0.06216%0.156CC..SBendtrans80.87-168.800000114L145 C149 S150 N153L145-G147 VanDerWaalsContact C-N 3.3Å; L145-G147 PolarHBondContact O-N 3.42Å; G147-C149 VanDerWaalsContact C-N 3.27Å; G147-C149 PolarHBondContact O-N 2.89Å; G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.11Å; G147-S150 PolarHBondContact O-N 3.32Å; G147-S150 VanDerWaalsContact O-N 3.14Å; G147-S150 PolarHBondContact O-OG 3.17Å; G147-N153 PolarHBondContact O-ND2 2.87Å
148D87.5Confident81.5Confident4 Ų436.5 Ų36.52%0.02118%0.18CC..THydrogen-bonded Turntrans-57.6-40.4175-80-36000112.9H113 S146 S150 R173H113-D148 IonicContact CE1-OD2 3.69Å; H113-D148 IonicContact CG-OD2 2.72Å; H113-D148 IonicContact ND1-OD2 3.95Å; H113-D148 PolarHBondContact ND1-OD2 2.89Å; S146-D148 VanDerWaalsContact C-N 3.3Å; S146-D148 VanDerWaalsContact OG-CB 3.3Å; S146-D148 WeakPolarHBondContact OG-CB 3.26Å; S146-D148 PolarHBondContact OG-N 3.32Å; S146-D148 VanDerWaalsContact OG-N 3.12Å; S146-D148 PolarHBondContact OG-OD2 3.1Å; D148-S150 VanDerWaalsContact C-N 3.34Å; D148-R173 IonicContact OD1-NH2 3.51Å; D148-R173 PolarHBondContact OD1-NH2 2.85Å; D148-R173 VanDerWaalsContact OD1-NH2 3.12Å; D148-R173 IonicContact OD2-CZ 3.17Å; D148-R173 IonicContact OD2-NE 3.71Å; D148-R173 IonicContact OD2-NH2 3.68Å; D148-R173 PolarHBondContact OD2-NH2 3.47Å
149C87.1Confident79.4Confident4 Ų440 Ų403%0.02720%0.198CC..THydrogen-bonded Turntrans-95.625.3178.1-67.10000113.2G147 H166 C169 V170G147-C149 VanDerWaalsContact C-N 3.27Å; G147-C149 PolarHBondContact O-N 2.89Å; C149-H166 WeakPolarHBondContact CB-ND1 3.43Å; C149-H166 PolarHBondContact O-ND1 3.34Å; C149-C169 WeakPolarHBondContact CA-SG 3.34Å; C149-C169 HydrophobicContact CB-CB 3.64Å; C149-C169 WeakPolarHBondContact CB-SG 3.3Å; C149-C169 WeakPolarHBondContact SG-CB 3.38Å; C149-C169 CovalentContact SG-SG 2.04Å; C149-C169 PolarHBondContact SG-SG 3.33Å; C149-V170 HydrophobicContact CB-CG2 4.23Å; C149-V170 PolarHBondContact SG-N 3.1Å; C149-V170 VanDerWaalsContact SG-N 3.42Å
150S79.6Confident77.3Confident23 Ų2346.8 Ų46.816%0.16123%0.228CC..  trans-68.9149.6173.660.40000111.6G147 D148 H152 N153 E154G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.11Å; G147-S150 PolarHBondContact O-N 3.32Å; G147-S150 VanDerWaalsContact O-N 3.14Å; G147-S150 PolarHBondContact O-OG 3.17Å; D148-S150 VanDerWaalsContact C-N 3.34Å; S150-H152 VanDerWaalsContact C-N 3.32Å; S150-H152 PolarHBondContact O-N 2.72Å; S150-N153 WeakPolarHBondContact O-CB 3.17Å; S150-N153 PolarHBondContact O-N 3.26Å; S150-N153 PolarHBondContact OG-ND2 2.02Å; S150-E154 PolarHBondContact O-N 3.3Å; S150-E154 VanDerWaalsContact O-N 3.11Å
151F64.7Low75.1Confident152 Ų15249.1 Ų49.167%0.66725%0.252SS*.Hα-helixtrans-54.6-43.3-173.5-179.3-102000113.3N153 E154 V155F151-N153 VanDerWaalsContact C-N 3.31Å; F151-N153 PolarHBondContact O-N 3.31Å; F151-E154 PolarHBondContact O-N 3.28Å; F151-V155 HydrophobicContact CD1-CG2 3.93Å; F151-V155 HydrophobicContact CD2-CG2 4.29Å; F151-V155 HydrophobicContact CE1-CG2 3.5Å; F151-V155 HydrophobicContact CE2-CG2 3.89Å; F151-V155 HydrophobicContact CG-CG2 4.3Å; F151-V155 HydrophobicContact CZ-CG2 3.48Å; F151-V155 VanDerWaalsContact CZ-CG2 3.48Å; F151-V155 WeakPolarHBondContact O-CG2 3.49Å; F151-V155 PolarHBondContact O-N 3.23Å
152H63.7Low72.9Confident143 Ų14357 Ų5766%0.66229%0.294SS*.Hα-helixtrans-59.7-41177.8177.7-82.4000112.4S150 E154 S156S150-H152 VanDerWaalsContact C-N 3.32Å; S150-H152 PolarHBondContact O-N 2.72Å; H152-E154 VanDerWaalsContact C-N 3.32Å; H152-S156 PolarHBondContact O-N 3.01Å; H152-S156 VanDerWaalsContact O-N 3.07Å
153N60.5Low70.6Confident20 Ų2066.2 Ų66.211%0.10733%0.334CS..Hα-helixtrans-68.5-35.7179.1-68-18.5000111.4R109 G147 S150 F151 S156 R157R109-N153 VanDerWaalsContact CD-ND2 3.34Å; R109-N153 WeakPolarHBondContact CD-ND2 3.45Å; G147-N153 PolarHBondContact O-ND2 2.87Å; S150-N153 WeakPolarHBondContact O-CB 3.17Å; S150-N153 PolarHBondContact O-N 3.26Å; S150-N153 PolarHBondContact OG-ND2 2.02Å; F151-N153 VanDerWaalsContact C-N 3.31Å; F151-N153 PolarHBondContact O-N 3.31Å; N153-S156 PolarHBondContact O-N 3.1Å; N153-S156 PolarHBondContact O-OG 2.95Å; N153-R157 WeakPolarHBondContact O-CG 3.37Å; N153-R157 PolarHBondContact O-N 3.3Å
154E61.7Low69.1Low6 Ų673.3 Ų73.33%0.02836%0.364CS..Hα-helixtrans-79.8-30178.5-64.2-65.8107.600113.8S150 F151 H152 S156 R157 F158 N159 H165 C169S150-E154 PolarHBondContact O-N 3.3Å; S150-E154 VanDerWaalsContact O-N 3.11Å; F151-E154 PolarHBondContact O-N 3.28Å; H152-E154 VanDerWaalsContact C-N 3.32Å; E154-S156 VanDerWaalsContact C-N 3.29Å; E154-S156 PolarHBondContact O-N 2.99Å; E154-R157 CarbonylContact O-C 3.35Å; E154-R157 WeakPolarHBondContact O-CA 3.3Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.02Å; E154-R157 WeakPolarHBondContact OE1-CD 3.47Å; E154-R157 IonicContact OE1-CZ 3.29Å; E154-R157 IonicContact OE1-NE 3.43Å; E154-R157 IonicContact OE1-NH1 3.85Å; E154-R157 PolarHBondContact OE1-NH1 3.29Å; E154-F158 PolarHBondContact O-N 3.43Å; E154-N159 PolarHBondContact O-N 2.73Å; E154-N159 PolarHBondContact OE2-ND2 3.24Å; E154-H165 WeakPolarHBondContact CB-CE1 3.2Å; E154-H165 WeakPolarHBondContact CG-CE1 3.44Å; E154-H165 IonicContact OE2-CE1 3.99Å; E154-H165 IonicContact OE2-NE2 2.61Å; E154-H165 PolarHBondContact OE2-NE2 2.61Å; E154-H165 VanDerWaalsContact OE2-NE2 3.17Å; E154-C169 VanDerWaalsContact CD-SG 3.55Å; E154-C169 HydrophobicContact CG-CB 4.45Å; E154-C169 PolarHBondContact OE1-SG 3.48Å
155V59Low68.3Low54 Ų5474.5 Ų74.533%0.32737%0.37SS..Hα-helixtrans-62.8-39.5168.5170.20000110.3F151 R157 F158F151-V155 HydrophobicContact CD1-CG2 3.93Å; F151-V155 HydrophobicContact CD2-CG2 4.29Å; F151-V155 HydrophobicContact CE1-CG2 3.5Å; F151-V155 HydrophobicContact CE2-CG2 3.89Å; F151-V155 HydrophobicContact CG-CG2 4.3Å; F151-V155 HydrophobicContact CZ-CG2 3.48Å; F151-V155 VanDerWaalsContact CZ-CG2 3.48Å; F151-V155 WeakPolarHBondContact O-CG2 3.49Å; F151-V155 PolarHBondContact O-N 3.23Å; V155-R157 PolarHBondContact O-N 3.17Å; V155-R157 VanDerWaalsContact O-N 3.1Å; V155-F158 PolarHBondContact O-N 3.47Å
156S58.7Low67.8Low76 Ų7676.2 Ų76.253%0.53138%0.378SS..THydrogen-bonded Turntrans-63-14171.980.80000113.6H152 N153 E154H152-S156 PolarHBondContact O-N 3.01Å; H152-S156 VanDerWaalsContact O-N 3.07Å; N153-S156 PolarHBondContact O-N 3.1Å; N153-S156 PolarHBondContact O-OG 2.95Å; E154-S156 VanDerWaalsContact C-N 3.29Å; E154-S156 PolarHBondContact O-N 2.99Å
157R61.3Low67.6Low90 Ų9078.9 Ų78.934%0.3439%0.39SS..THydrogen-bonded Turntrans-104.412.3175.7-66170.4175.9164.70.7113.3N153 E154 V155 N159N153-R157 WeakPolarHBondContact O-CG 3.37Å; N153-R157 PolarHBondContact O-N 3.3Å; E154-R157 CarbonylContact O-C 3.35Å; E154-R157 WeakPolarHBondContact O-CA 3.3Å; E154-R157 WeakPolarHBondContact O-CB 3.42Å; E154-R157 PolarHBondContact O-N 3.02Å; E154-R157 WeakPolarHBondContact OE1-CD 3.47Å; E154-R157 IonicContact OE1-CZ 3.29Å; E154-R157 IonicContact OE1-NE 3.43Å; E154-R157 IonicContact OE1-NH1 3.85Å; E154-R157 PolarHBondContact OE1-NH1 3.29Å; V155-R157 PolarHBondContact O-N 3.17Å; V155-R157 VanDerWaalsContact O-N 3.1Å; R157-N159 VanDerWaalsContact C-N 3.29Å; R157-N159 PolarHBondContact O-N 3.3Å
158F57.6Low67.7Low163 Ų16384.2 Ų84.272%0.71541%0.413SS*.THydrogen-bonded Turntrans62.124.4175.7-56.6-82.4000115.9E154 V155 F160E154-F158 PolarHBondContact O-N 3.43Å; V155-F158 PolarHBondContact O-N 3.47Å; F158-F160 HydrophobicContact CB-CE2 4.18Å; F158-F160 HydrophobicContact CD1-CE2 4.46Å; F158-F160 HydrophobicContact CD1-CZ 4.44Å; F158-F160 VanDerWaalsContact O-CD2 3.22Å; F158-F160 WeakPolarHBondContact O-CD2 3.45Å; F158-F160 WeakPolarHBondContact O-CE2 3.39Å
159N53.9Low67.9Low75 Ų7584.5 Ų84.540%0.40142%0.416SS..  trans-95.1112.7175.8-70.9-23000111.3E154 R157 H165E154-N159 PolarHBondContact O-N 2.73Å; E154-N159 PolarHBondContact OE2-ND2 3.24Å; R157-N159 VanDerWaalsContact C-N 3.29Å; R157-N159 PolarHBondContact O-N 3.3Å; N159-H165 WeakPolarHBondContact CB-NE2 3.38Å
160F54.2Low68.3Low157 Ų15784.3 Ų84.369%0.68941%0.414SS*.  trans-108.117.1-171.2-60.5-78.7000115.5F158F158-F160 HydrophobicContact CB-CE2 4.18Å; F158-F160 HydrophobicContact CD1-CE2 4.46Å; F158-F160 HydrophobicContact CD1-CZ 4.44Å; F158-F160 VanDerWaalsContact O-CD2 3.22Å; F158-F160 WeakPolarHBondContact O-CD2 3.45Å; F158-F160 WeakPolarHBondContact O-CE2 3.39Å
161G51.9Low69.1Low49 Ų4986.8 Ų86.851%0.50542%0.42SS..  trans-80.5128.9-176.700000114.6
162L54.2Low70.5Confident171 Ų17180.6 Ų80.690%0.89540%0.399SS*.SBendtrans-92.48.2-169.7-96.5159000116.9
163K48.3Very low72Confident193 Ų19376.7 Ų76.784%0.83938%0.378SS*.SBendtrans-147.1141.1168.5-83-177176.31750109.8H165K163-H165 VanDerWaalsContact C-N 3.29Å; K163-H165 PolarHBondContact O-N 3.36Å
164K66.3Low73.7Confident149 Ų14975.8 Ų75.865%0.64837%0.373SS*.SBendtrans69.3-3.6178.8-60.8-172.9176.2-1750119.1H166 Q167 E168K164-H166 VanDerWaalsContact C-N 3.3Å; K164-H166 PolarHBondContact O-N 3.22Å; K164-H166 VanDerWaalsContact O-N 3.15Å; K164-Q167 WeakPolarHBondContact O-CB 3.27Å; K164-Q167 PolarHBondContact O-N 3.22Å; K164-E168 PolarHBondContact O-N 2.86Å; K164-E168 VanDerWaalsContact O-N 3.1Å
165H79.4Confident75.4Confident26 Ų2676.3 Ų76.312%0.1238%0.376CS..Hα-helixtrans-53.8-38.9-177.9178.4-136.8000115.7E154 N159 K163 Q167 E168 C169E154-H165 WeakPolarHBondContact CB-CE1 3.2Å; E154-H165 WeakPolarHBondContact CG-CE1 3.44Å; E154-H165 IonicContact OE2-CE1 3.99Å; E154-H165 IonicContact OE2-NE2 2.61Å; E154-H165 PolarHBondContact OE2-NE2 2.61Å; E154-H165 VanDerWaalsContact OE2-NE2 3.17Å; N159-H165 WeakPolarHBondContact CB-NE2 3.38Å; K163-H165 VanDerWaalsContact C-N 3.29Å; K163-H165 PolarHBondContact O-N 3.36Å; H165-Q167 PolarHBondContact O-N 2.9Å; H165-E168 PolarHBondContact O-N 3.26Å; H165-C169 WeakPolarHBondContact O-CB 3.47Å; H165-C169 PolarHBondContact O-N 2.93Å
166H88.1Confident77Confident37 Ų3781.6 Ų81.617%0.17139%0.39CS..Hα-helixtrans-63.3-43.4177.7-174.473.4000111.7N144 C149 K164 E168 C169 V170 F201N144-H166 PolarHBondContact OD1-NE2 3.14Å; C149-H166 WeakPolarHBondContact CB-ND1 3.43Å; C149-H166 PolarHBondContact O-ND1 3.34Å; K164-H166 VanDerWaalsContact C-N 3.3Å; K164-H166 PolarHBondContact O-N 3.22Å; K164-H166 VanDerWaalsContact O-N 3.15Å; H166-E168 VanDerWaalsContact C-N 3.34Å; H166-E168 PolarHBondContact O-N 3.41Å; H166-C169 PolarHBondContact O-N 3Å; H166-V170 VanDerWaalsContact O-CG2 3.27Å; H166-V170 WeakPolarHBondContact O-CG2 3.33Å; H166-V170 PolarHBondContact O-N 3.36Å; H166-F201 AromaticContact CD2-CE2 3.85Å; H166-F201 AromaticContact CD2-CZ 3.89Å
167Q92Very high78.7Confident59 Ų5979.4 Ų79.428%0.27638%0.375SS..Hα-helixtrans-65.6-37.9177.7-67.8177.1-39.900112K164 H165 V170 R171 F197 F201K164-Q167 WeakPolarHBondContact O-CB 3.27Å; K164-Q167 PolarHBondContact O-N 3.22Å; H165-Q167 PolarHBondContact O-N 2.9Å; Q167-V170 PolarHBondContact O-N 3.32Å; Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-N 3.1Å; Q167-F197 HydrophobicContact CB-CE1 4.35Å; Q167-F197 HydrophobicContact CB-CZ 3.96Å; Q167-F197 HydrophobicContact CG-CE1 4.33Å; Q167-F197 HydrophobicContact CG-CZ 4.23Å; Q167-F201 HydrophobicContact CG-CE1 4.14Å; Q167-F201 HydrophobicContact CG-CE2 3.83Å; Q167-F201 HydrophobicContact CG-CZ 3.61Å
168E91.5Very high80.2Confident117 Ų11775.4 Ų75.455%0.54736%0.36SS..Hα-helixtrans-65.5-43.4174.9-70.5171.6-177.900111.4K164 H165 H166 R171 G172K164-E168 PolarHBondContact O-N 2.86Å; K164-E168 VanDerWaalsContact O-N 3.1Å; H165-E168 PolarHBondContact O-N 3.26Å; H166-E168 VanDerWaalsContact C-N 3.34Å; H166-E168 PolarHBondContact O-N 3.41Å; E168-R171 PolarHBondContact O-N 3.34Å; E168-G172 PolarHBondContact O-N 3.45Å
169C92.3Very high81.9Confident11 Ų1170.7 Ų70.77%0.07434%0.342CS..Hα-helixtrans-60.3-45.6173.1174.10000111.4C149 E154 H165 H166 G172 R173C149-C169 WeakPolarHBondContact CA-SG 3.34Å; C149-C169 HydrophobicContact CB-CB 3.64Å; C149-C169 WeakPolarHBondContact CB-SG 3.3Å; C149-C169 WeakPolarHBondContact SG-CB 3.38Å; C149-C169 CovalentContact SG-SG 2.04Å; C149-C169 PolarHBondContact SG-SG 3.33Å; E154-C169 VanDerWaalsContact CD-SG 3.55Å; E154-C169 HydrophobicContact CG-CB 4.45Å; E154-C169 PolarHBondContact OE1-SG 3.48Å; H165-C169 WeakPolarHBondContact O-CB 3.47Å; H165-C169 PolarHBondContact O-N 2.93Å; H166-C169 PolarHBondContact O-N 3Å; C169-G172 PolarHBondContact O-N 3.47Å; C169-R173 WeakPolarHBondContact O-CB 3.45Å; C169-R173 VanDerWaalsContact O-CG 3.24Å; C169-R173 WeakPolarHBondContact O-CG 3.23Å; C169-R173 PolarHBondContact O-N 2.85Å
170V95.9Very high83.5Confident0 Ų069.4 Ų69.40%034%0.342CS..Hα-helixtrans-61.6-47.3179.1172.60000110.9I140 A143 N144 C149 H166 Q167 G172 R173 A174 F197 F201I140-V170 HydrophobicContact CB-CG1 4.34Å; I140-V170 HydrophobicContact CG2-CG1 3.85Å; I140-V170 WeakPolarHBondContact O-CG1 3.33Å; A143-V170 HydrophobicContact CB-CB 4.5Å; A143-V170 HydrophobicContact CB-CG1 4.19Å; A143-V170 HydrophobicContact CB-CG2 4.42Å; N144-V170 HydrophobicContact CB-CG1 4.2Å; N144-V170 HydrophobicContact CB-CG2 3.94Å; C149-V170 HydrophobicContact CB-CG2 4.23Å; C149-V170 PolarHBondContact SG-N 3.1Å; C149-V170 VanDerWaalsContact SG-N 3.42Å; H166-V170 VanDerWaalsContact O-CG2 3.27Å; H166-V170 WeakPolarHBondContact O-CG2 3.33Å; H166-V170 PolarHBondContact O-N 3.36Å; Q167-V170 PolarHBondContact O-N 3.32Å; V170-G172 PolarHBondContact O-N 2.93Å; V170-R173 PolarHBondContact O-N 3.49Å; V170-A174 WeakPolarHBondContact O-CB 3.27Å; V170-A174 PolarHBondContact O-N 3.26Å; V170-F197 HydrophobicContact CB-CE2 4.32Å; V170-F197 HydrophobicContact CG1-CE2 3.91Å; V170-F197 HydrophobicContact CG1-CZ 4.43Å; V170-F201 HydrophobicContact CB-CD2 4.49Å; V170-F201 HydrophobicContact CB-CE2 4.45Å; V170-F201 HydrophobicContact CG1-CD2 4.17Å; V170-F201 HydrophobicContact CG2-CE2 4.16Å
171R95.9Very high85.1Confident75 Ų7563.4 Ų63.428%0.28332%0.318SS..Hα-helixtrans-57-50.2174.3-76.4-172.2174.876.80.9111.6Q167 E168 R173 A174 L175 V193 D194 F197Q167-R171 WeakPolarHBondContact O-CG 3.42Å; Q167-R171 PolarHBondContact O-N 3.1Å; E168-R171 PolarHBondContact O-N 3.34Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.89Å; R171-A174 PolarHBondContact O-N 2.67Å; R171-L175 WeakPolarHBondContact O-CB 3.33Å; R171-L175 PolarHBondContact O-N 3.11Å; R171-V193 HydrophobicContact CG-CG1 4.33Å; R171-D194 IonicContact NE-OD1 3.75Å; R171-D194 PolarHBondContact NE-OD1 3.38Å; R171-F197 HydrophobicContact CB-CE2 4.35Å; R171-F197 HydrophobicContact CG-CD2 3.49Å; R171-F197 VanDerWaalsContact CG-CD2 3.49Å; R171-F197 HydrophobicContact CG-CE2 3.26Å; R171-F197 HydrophobicContact CG-CG 4.36Å; R171-F197 HydrophobicContact CG-CZ 4Å; R171-F197 VanDerWaalsContact CZ-CD1 3.45Å; R171-F197 VanDerWaalsContact CZ-CE1 3.48Å; R171-F197 VanDerWaalsContact NH1-CZ 3.26Å
172G94.7Very high86.7Confident21 Ų2162 Ų6222%0.21630%0.298CS..Hα-helixtrans-64.5-36.1-177.700000113.3E168 C169 V170 R176E168-G172 PolarHBondContact O-N 3.45Å; C169-G172 PolarHBondContact O-N 3.47Å; V170-G172 PolarHBondContact O-N 2.93Å; G172-R176 VanDerWaalsContact O-CG 3.23Å; G172-R176 WeakPolarHBondContact O-CG 3.34Å; G172-R176 PolarHBondContact O-N 3.41Å; G172-R176 VanDerWaalsContact O-N 3.16Å
173R94.5Very high88.3Confident62 Ų6261.9 Ų61.923%0.23429%0.29CS..Hα-helixtrans-68.1-50.7175.1-74-81.2-79.4179.40.9110.7A143 D148 C169 V170 R171 L175 R176 S177A143-R173 HydrophobicContact CB-CB 3.64Å; A143-R173 HydrophobicContact CB-CG 4.37Å; D148-R173 IonicContact OD1-NH2 3.51Å; D148-R173 PolarHBondContact OD1-NH2 2.85Å; D148-R173 VanDerWaalsContact OD1-NH2 3.12Å; D148-R173 IonicContact OD2-CZ 3.17Å; D148-R173 IonicContact OD2-NE 3.71Å; D148-R173 IonicContact OD2-NH2 3.68Å; D148-R173 PolarHBondContact OD2-NH2 3.47Å; C169-R173 WeakPolarHBondContact O-CB 3.45Å; C169-R173 VanDerWaalsContact O-CG 3.24Å; C169-R173 WeakPolarHBondContact O-CG 3.23Å; C169-R173 PolarHBondContact O-N 2.85Å; V170-R173 PolarHBondContact O-N 3.49Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 2.89Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.23Å; R173-R176 PolarHBondContact O-N 3.12Å; R173-R176 VanDerWaalsContact O-N 3.12Å; R173-S177 PolarHBondContact O-N 2.88Å; R173-S177 PolarHBondContact O-OG 3.29Å
174A96.9Very high90.2Very high0 Ų054 Ų540%026%0.257CS..Hα-helixtrans-59.3-43.5179.700000112.1E139 I140 V170 R171 R176 S177 I178 V193E139-A174 HydrophobicContact CB-CB 3.85Å; I140-A174 HydrophobicContact CG1-CB 3.77Å; V170-A174 WeakPolarHBondContact O-CB 3.27Å; V170-A174 PolarHBondContact O-N 3.26Å; R171-A174 PolarHBondContact O-N 2.67Å; A174-R176 PolarHBondContact O-N 2.88Å; A174-S177 PolarHBondContact O-N 3.39Å; A174-I178 WeakPolarHBondContact O-CD1 3.27Å; A174-I178 VanDerWaalsContact O-CG1 3.28Å; A174-I178 WeakPolarHBondContact O-CG1 3.44Å; A174-I178 PolarHBondContact O-N 3.04Å; A174-V193 HydrophobicContact CB-CG2 4.29Å
175L96.6Very high91.6Very high17 Ų1749.4 Ų49.49%0.08925%0.245CC..Hα-helixtrans-57.8-47174.5178.562000112.1R171 R173 I178 L179 A189 E190R171-L175 WeakPolarHBondContact O-CB 3.33Å; R171-L175 PolarHBondContact O-N 3.11Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.23Å; L175-I178 PolarHBondContact O-N 3.05Å; L175-L179 HydrophobicContact CD1-CD1 3.86Å; L175-L179 HydrophobicContact CD1-CG 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 2.79Å; L175-A189 HydrophobicContact CD1-CB 3.45Å; L175-A189 VanDerWaalsContact CD1-CB 3.45Å; L175-E190 HydrophobicContact CD1-CG 3.72Å; L175-E190 HydrophobicContact CD2-CG 3.6Å; L175-E190 WeakPolarHBondContact CD2-OE1 3.5Å; L175-E190 HydrophobicContact CG-CG 4.28Å
176R93.7Very high92.4Very high166 Ų16655.2 Ų55.263%0.62627%0.265SS*.Hα-helixtrans-64.1-41.9179.5-74174-156.9162.87.6112.1G172 R173 A174 L179 A180G172-R176 VanDerWaalsContact O-CG 3.23Å; G172-R176 WeakPolarHBondContact O-CG 3.34Å; G172-R176 PolarHBondContact O-N 3.41Å; G172-R176 VanDerWaalsContact O-N 3.16Å; R173-R176 PolarHBondContact O-N 3.12Å; R173-R176 VanDerWaalsContact O-N 3.12Å; A174-R176 PolarHBondContact O-N 2.88Å; R176-L179 PolarHBondContact O-N 3.14Å; R176-A180 WeakPolarHBondContact O-CB 3.39Å; R176-A180 PolarHBondContact O-N 3.38Å
177S93.1Very high92.8Very high29 Ų2959.7 Ų59.720%0.20329%0.286CS..Hα-helixtrans-61.7-47.3177.9-58.60000111.3E139 R173 A174 L179 A180 V181E139-S177 WeakPolarHBondContact OE1-CB 3.39Å; E139-S177 WeakPolarHBondContact OE2-CB 3.38Å; E139-S177 PolarHBondContact OE2-OG 3.44Å; R173-S177 PolarHBondContact O-N 2.88Å; R173-S177 PolarHBondContact O-OG 3.29Å; A174-S177 PolarHBondContact O-N 3.39Å; S177-L179 PolarHBondContact O-N 2.99Å; S177-A180 WeakPolarHBondContact O-CB 2.97Å; S177-A180 PolarHBondContact O-N 2.91Å; S177-A180 VanDerWaalsContact O-N 3.15Å; S177-V181 WeakPolarHBondContact O-CG2 3.34Å; S177-V181 PolarHBondContact O-N 3.47Å
178I93.8Very high92.9Very high6 Ų661.2 Ų61.23%0.03129%0.294CS..Hα-helixtrans-59.2-48.1178.4-65.5163.7000110.7L135 A136 E139 A174 L175 A180 V181 R182 V184 A189 V193L135-I178 HydrophobicContact CD2-CG1 4.44Å; L135-I178 HydrophobicContact CG-CG1 4.42Å; A136-I178 HydrophobicContact CB-CD1 3.62Å; E139-I178 HydrophobicContact CG-CG1 4.4Å; A174-I178 WeakPolarHBondContact O-CD1 3.27Å; A174-I178 VanDerWaalsContact O-CG1 3.28Å; A174-I178 WeakPolarHBondContact O-CG1 3.44Å; A174-I178 PolarHBondContact O-N 3.04Å; L175-I178 PolarHBondContact O-N 3.05Å; I178-A180 PolarHBondContact O-N 2.98Å; I178-V181 PolarHBondContact O-N 3.03Å; I178-R182 WeakPolarHBondContact O-CB 3.01Å; I178-R182 PolarHBondContact O-N 3.26Å; I178-V184 HydrophobicContact CG2-CG2 3.92Å; I178-A189 HydrophobicContact CG2-CB 3.98Å; I178-V193 HydrophobicContact CD1-CG2 3.48Å; I178-V193 VanDerWaalsContact CD1-CG2 3.48Å
179L92.6Very high93.2Very high64 Ų6455.8 Ų55.834%0.33527%0.268SS..Hα-helixtrans-66.1-24.5-180-69.4172.9000113.4L175 R176 S177 V184 R186 A189L175-L179 HydrophobicContact CD1-CD1 3.86Å; L175-L179 HydrophobicContact CD1-CG 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.91Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 2.79Å; R176-L179 PolarHBondContact O-N 3.14Å; S177-L179 PolarHBondContact O-N 2.99Å; L179-V184 HydrophobicContact CD2-CG2 4.23Å; L179-R186 HydrophobicContact CD1-CG 4.36Å; L179-A189 HydrophobicContact CD2-CB 4.01Å; L179-A189 HydrophobicContact CG-CB 4.27Å
180A88.3Confident93.4Very high48 Ų4858.6 Ų58.640%0.39728%0.281SS..Hα-helixtrans-75-32.1175.800000112.2R176 S177 I178R176-A180 WeakPolarHBondContact O-CB 3.39Å; R176-A180 PolarHBondContact O-N 3.38Å; S177-A180 WeakPolarHBondContact O-CB 2.97Å; S177-A180 PolarHBondContact O-N 2.91Å; S177-A180 VanDerWaalsContact O-N 3.15Å; I178-A180 PolarHBondContact O-N 2.98Å
181V86.7Confident93.5Very high31 Ų3165.8 Ų65.819%0.18831%0.312CS..Hα-helixtrans-110.4-8.3-171.3-54.80000114.3D10 Y11 G12 L15 L135 S177 I178D10-V181 VanDerWaalsContact O-O 3.05Å; Y11-V181 CarbonylContact C-O 3.57Å; G12-V181 PolarHBondContact N-O 3.15Å; L15-V181 HydrophobicContact CD1-CG1 4.32Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; S177-V181 WeakPolarHBondContact O-CG2 3.34Å; S177-V181 PolarHBondContact O-N 3.47Å; I178-V181 PolarHBondContact O-N 3.03Å
182R85.7Confident93.6Very high21 Ų2163.1 Ų63.18%0.07930%0.304CS..SBendtrans-135.1136.3178.3-61.8-65.1177.3-87.92.3111.4Y11 W128 F132 L135 I178 V184Y11-R182 VanDerWaalsContact CA-NH1 3.29Å; Y11-R182 PolarHBondContact O-NH1 2.63Å; W128-R182 PolarHBondContact O-NH2 3.47Å; F132-R182 HydrophobicContact CE1-CG 4.28Å; L135-R182 HydrophobicContact CD2-CG 3.86Å; I178-R182 WeakPolarHBondContact O-CB 3.01Å; I178-R182 PolarHBondContact O-N 3.26Å; R182-V184 HydrophobicContact CB-CG1 4.22Å; R182-V184 HydrophobicContact CB-CG2 4.17Å; R182-V184 PolarHBondContact O-N 3.37Å
183K87.4Confident93.7Very high168 Ų16862.3 Ų62.373%0.7330%0.295SS*.  trans-75.372.4165.6-74.3163.4-169.8144.70111D10D10-K183 HydrophobicContact CB-CD 4.33Å; D10-K183 VanDerWaalsContact CG-CD 3.46Å; D10-K183 WeakPolarHBondContact OD1-CD 3.34Å; D10-K183 WeakPolarHBondContact OD1-CE 3.33Å; D10-K183 IonicContact OD1-NZ 2.78Å; D10-K183 PolarHBondContact OD1-NZ 3.4Å; D10-K183 WeakPolarHBondContact OD2-CB 3.07Å; D10-K183 VanDerWaalsContact OD2-CD 3.24Å; D10-K183 WeakPolarHBondContact OD2-CD 3Å; D10-K183 WeakPolarHBondContact OD2-CG 3.24Å; D10-K183 PolarHBondContact OD2-N 2.75Å
184V89.9Confident93.9Very high26 Ų2663.9 Ų63.916%0.15831%0.308CS..  trans-116.4156.2169.9-67.10000109.8F132 I178 L179 R182 A189F132-V184 HydrophobicContact CD2-CG1 4.23Å; F132-V184 HydrophobicContact CE2-CG1 3.54Å; F132-V184 HydrophobicContact CZ-CG1 3.83Å; I178-V184 HydrophobicContact CG2-CG2 3.92Å; L179-V184 HydrophobicContact CD2-CG2 4.23Å; R182-V184 HydrophobicContact CB-CG1 4.22Å; R182-V184 HydrophobicContact CB-CG2 4.17Å; R182-V184 PolarHBondContact O-N 3.37Å; V184-A189 HydrophobicContact CG2-CB 3.93Å
185S94.7Very high93.9Very high54 Ų5469 Ų6938%0.37833%0.332SS..  trans-68.8156.5172.686.80000110.3E187 E188 A189S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 WeakPolarHBondContact CB-OE2 3.16Å; S185-E187 PolarHBondContact O-N 3Å; S185-E187 PolarHBondContact OG-N 3.2Å; S185-E187 PolarHBondContact OG-OE2 3.49Å; S185-E187 VanDerWaalsContact OG-OE2 3.06Å; S185-E188 PolarHBondContact O-N 3.41Å; S185-E188 PolarHBondContact OG-N 3.11Å; S185-E188 VanDerWaalsContact OG-N 3.12Å; S185-A189 PolarHBondContact O-N 3.29Å
186R95.5Very high94Very high147 Ų14769.1 Ų69.156%0.55533%0.333SS*.Hα-helixtrans-59.5-41.5175.9180173176.6150.41.5111.5L179 E188 A189 E190L179-R186 HydrophobicContact CD1-CG 4.36Å; R186-E188 VanDerWaalsContact C-N 3.34Å; R186-E188 PolarHBondContact O-N 2.95Å; R186-A189 PolarHBondContact O-N 3.17Å; R186-E190 HydrophobicContact CG-CG 4.36Å; R186-E190 IonicContact CZ-OE1 3.69Å; R186-E190 IonicContact NE-OE1 2.8Å; R186-E190 PolarHBondContact NE-OE1 2.85Å; R186-E190 IonicContact NH2-OE1 3.38Å; R186-E190 PolarHBondContact NH2-OE1 3.23Å; R186-E190 WeakPolarHBondContact O-CB 3.46Å; R186-E190 WeakPolarHBondContact O-CG 3.43Å; R186-E190 PolarHBondContact O-N 3.11Å
187E96.6Very high94.2Very high132 Ų13261.2 Ų61.262%0.61730%0.303SS*.Hα-helixtrans-64.7-38.9179.8-59.275-162.600111.6S185 K191S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 WeakPolarHBondContact CB-OE2 3.16Å; S185-E187 PolarHBondContact O-N 3Å; S185-E187 PolarHBondContact OG-N 3.2Å; S185-E187 PolarHBondContact OG-OE2 3.49Å; S185-E187 VanDerWaalsContact OG-OE2 3.06Å; E187-K191 WeakPolarHBondContact O-CB 3.44Å; E187-K191 PolarHBondContact O-N 3.07Å
188E95.4Very high94.5Very high91 Ų9164.9 Ų64.943%0.42532%0.32SS..Hα-helixtrans-67.3-45.5176.1-176.2174.4-172.500111.2S185 R186 K191 V192S185-E188 PolarHBondContact O-N 3.41Å; S185-E188 PolarHBondContact OG-N 3.11Å; S185-E188 VanDerWaalsContact OG-N 3.12Å; R186-E188 VanDerWaalsContact C-N 3.34Å; R186-E188 PolarHBondContact O-N 2.95Å; E188-K191 PolarHBondContact O-N 3.4Å; E188-V192 WeakPolarHBondContact O-CG2 3.44Å; E188-V192 PolarHBondContact O-N 3.17Å
189A96.3Very high94.7Very high2 Ų270 Ų702%0.01735%0.352CS..Hα-helixtrans-62.7-43.1176.800000112.1L175 I178 L179 V184 S185 R186 V192 V193L175-A189 HydrophobicContact CD1-CB 3.45Å; L175-A189 VanDerWaalsContact CD1-CB 3.45Å; I178-A189 HydrophobicContact CG2-CB 3.98Å; L179-A189 HydrophobicContact CD2-CB 4.01Å; L179-A189 HydrophobicContact CG-CB 4.27Å; V184-A189 HydrophobicContact CG2-CB 3.93Å; S185-A189 PolarHBondContact O-N 3.29Å; R186-A189 PolarHBondContact O-N 3.17Å; A189-V192 PolarHBondContact O-N 2.98Å; A189-V193 WeakPolarHBondContact O-CB 3.33Å; A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 2.99Å
190E97.4Very high94.9Very high71 Ų7167.1 Ų67.133%0.33234%0.337SS..Hα-helixtrans-59.7-46.4174.9-78175.5-178.700111.1L175 R186 V192 V193 D194L175-E190 HydrophobicContact CD1-CG 3.72Å; L175-E190 HydrophobicContact CD2-CG 3.6Å; L175-E190 WeakPolarHBondContact CD2-OE1 3.5Å; L175-E190 HydrophobicContact CG-CG 4.28Å; R186-E190 HydrophobicContact CG-CG 4.36Å; R186-E190 IonicContact CZ-OE1 3.69Å; R186-E190 IonicContact NE-OE1 2.8Å; R186-E190 PolarHBondContact NE-OE1 2.85Å; R186-E190 IonicContact NH2-OE1 3.38Å; R186-E190 PolarHBondContact NH2-OE1 3.23Å; R186-E190 WeakPolarHBondContact O-CB 3.46Å; R186-E190 WeakPolarHBondContact O-CG 3.43Å; R186-E190 PolarHBondContact O-N 3.11Å; E190-V192 PolarHBondContact O-N 2.83Å; E190-V193 PolarHBondContact O-N 3.16Å; E190-D194 WeakPolarHBondContact O-CB 3.46Å; E190-D194 PolarHBondContact O-N 3.42Å
191K97.6Very high95.4Very high150 Ų15065.6 Ų65.665%0.65232%0.322SS*.Hα-helixtrans-59.5-45.2177.5-177.5-177.6176.2-174.30112.4E187 E188 D194 E195E187-K191 WeakPolarHBondContact O-CB 3.44Å; E187-K191 PolarHBondContact O-N 3.07Å; E188-K191 PolarHBondContact O-N 3.4Å; K191-D194 PolarHBondContact O-N 2.81Å; K191-E195 WeakPolarHBondContact O-CB 3.43Å; K191-E195 PolarHBondContact O-N 3.24Å
192V97.2Very high95.9Very high20 Ų2069 Ų6912%0.12134%0.339CS..Hα-helixtrans-65.6-43.1179.3172.90000110.9F132 K133 A136 E188 A189 E190 E195 V196F132-V192 HydrophobicContact CB-CG1 4.09Å; F132-V192 HydrophobicContact CB-CG2 4.41Å; F132-V192 WeakPolarHBondContact O-CG1 3.35Å; K133-V192 HydrophobicContact CG-CG1 4.16Å; A136-V192 HydrophobicContact CB-CG1 3.73Å; E188-V192 WeakPolarHBondContact O-CG2 3.44Å; E188-V192 PolarHBondContact O-N 3.17Å; A189-V192 PolarHBondContact O-N 2.98Å; E190-V192 PolarHBondContact O-N 2.83Å; V192-E195 PolarHBondContact O-N 3.23Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.83Å
193V98Very high96.5Very high4 Ų470.4 Ų70.42%0.02435%0.348CS..Hα-helixtrans-59.5-49.5176.2167.20000110.6A136 I140 R171 A174 I178 A189 E190 E195 V196 F197A136-V193 HydrophobicContact CB-CG2 4.29Å; I140-V193 HydrophobicContact CD1-CG1 4.26Å; I140-V193 HydrophobicContact CG1-CG1 4.5Å; R171-V193 HydrophobicContact CG-CG1 4.33Å; A174-V193 HydrophobicContact CB-CG2 4.29Å; I178-V193 HydrophobicContact CD1-CG2 3.48Å; I178-V193 VanDerWaalsContact CD1-CG2 3.48Å; A189-V193 WeakPolarHBondContact O-CB 3.33Å; A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 2.99Å; E190-V193 PolarHBondContact O-N 3.16Å; V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.49Å; V193-V196 PolarHBondContact O-N 3.08Å; V193-F197 HydrophobicContact CG1-CD2 4.46Å; V193-F197 WeakPolarHBondContact O-CA 3.36Å; V193-F197 VanDerWaalsContact O-CB 3.3Å; V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 2.85Å
194D97.9Very high97Very high95 Ų9564.7 Ų64.751%0.50832%0.324SS..Hα-helixtrans-65.1-35.7-179-79.6-25.4000112.5R171 E190 K191 V196 F197R171-D194 IonicContact NE-OD1 3.75Å; R171-D194 PolarHBondContact NE-OD1 3.38Å; E190-D194 WeakPolarHBondContact O-CB 3.46Å; E190-D194 PolarHBondContact O-N 3.42Å; K191-D194 PolarHBondContact O-N 2.81Å; D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.25Å; D194-F197 PolarHBondContact O-N 2.96Å
195E98.3Very high97.3Very high108 Ų10864.7 Ų64.751%0.50533%0.327SS..Hα-helixtrans-61.7-39.3178.5-173.4178171.200112.6K133 K191 V192 V193K133-E195 VanDerWaalsContact CE-CD 3.43Å; K133-E195 VanDerWaalsContact CE-OE1 3.28Å; K133-E195 WeakPolarHBondContact CE-OE1 3.45Å; K133-E195 WeakPolarHBondContact CE-OE2 3.29Å; K133-E195 IonicContact NZ-OE1 2.58Å; K133-E195 PolarHBondContact NZ-OE1 3.5Å; K133-E195 IonicContact NZ-OE2 3.32Å; K133-E195 PolarHBondContact NZ-OE2 2.92Å; K191-E195 WeakPolarHBondContact O-CB 3.43Å; K191-E195 PolarHBondContact O-N 3.24Å; V192-E195 PolarHBondContact O-N 3.23Å; V193-E195 VanDerWaalsContact C-N 3.32Å; V193-E195 PolarHBondContact O-N 3.49Å
196V98.4Very high97.4Very high18 Ų1863.2 Ų63.211%0.10932%0.315CS..Hα-helixtrans-99.4-5.4-178-55.60000113.6K133 A136 C137 I140 V192 V193 D194 D198 T199 C200K133-V196 HydrophobicContact CB-CG1 3.72Å; K133-V196 HydrophobicContact CD-CG1 4.27Å; K133-V196 HydrophobicContact CG-CG1 3.95Å; A136-V196 HydrophobicContact CB-CG2 4.01Å; C137-V196 HydrophobicContact CB-CG2 4.41Å; I140-V196 HydrophobicContact CD1-CG2 3.63Å; V192-V196 WeakPolarHBondContact O-CG2 3.21Å; V192-V196 PolarHBondContact O-N 2.83Å; V193-V196 PolarHBondContact O-N 3.08Å; D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.25Å; V196-D198 PolarHBondContact O-N 3.08Å; V196-T199 PolarHBondContact O-N 2.83Å; V196-C200 WeakPolarHBondContact O-CB 3.28Å; V196-C200 PolarHBondContact O-N 2.67Å; V196-C200 PolarHBondContact O-SG 3.28Å
197F98.3Very high97.5Very high1 Ų156.5 Ų56.50%0.00429%0.29CS..Hα-helixtrans-54.3-55.3-167-172.3-91.4000112.7I140 Q167 V170 R171 V193 D194 T199 C200 F201I140-F197 HydrophobicContact CD1-CD2 4.19Å; I140-F197 HydrophobicContact CG1-CD2 4.28Å; I140-F197 HydrophobicContact CG2-CD2 4.46Å; I140-F197 HydrophobicContact CG2-CE2 4.48Å; Q167-F197 HydrophobicContact CB-CE1 4.35Å; Q167-F197 HydrophobicContact CB-CZ 3.96Å; Q167-F197 HydrophobicContact CG-CE1 4.33Å; Q167-F197 HydrophobicContact CG-CZ 4.23Å; V170-F197 HydrophobicContact CB-CE2 4.32Å; V170-F197 HydrophobicContact CG1-CE2 3.91Å; V170-F197 HydrophobicContact CG1-CZ 4.43Å; R171-F197 HydrophobicContact CB-CE2 4.35Å; R171-F197 HydrophobicContact CG-CD2 3.49Å; R171-F197 VanDerWaalsContact CG-CD2 3.49Å; R171-F197 HydrophobicContact CG-CE2 3.26Å; R171-F197 HydrophobicContact CG-CG 4.36Å; R171-F197 HydrophobicContact CG-CZ 4Å; R171-F197 VanDerWaalsContact CZ-CD1 3.45Å; R171-F197 VanDerWaalsContact CZ-CE1 3.48Å; R171-F197 VanDerWaalsContact NH1-CZ 3.26Å; V193-F197 HydrophobicContact CG1-CD2 4.46Å; V193-F197 WeakPolarHBondContact O-CA 3.36Å; V193-F197 VanDerWaalsContact O-CB 3.3Å; V193-F197 WeakPolarHBondContact O-CB 3.38Å; V193-F197 PolarHBondContact O-N 2.85Å; D194-F197 PolarHBondContact O-N 2.96Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.32Å; F197-C200 PolarHBondContact O-N 3.47Å; F197-F201 HydrophobicContact CD1-CB 4.11Å; F197-F201 HydrophobicContact CE1-CB 3.82Å; F197-F201 HydrophobicContact CE1-CD1 4.41Å; F197-F201 AromaticContact CE1-CD2 3.86Å; F197-F201 HydrophobicContact CE1-CD2 3.86Å; F197-F201 AromaticContact CE1-CG 3.76Å; F197-F201 HydrophobicContact CE1-CG 3.76Å; F197-F201 HydrophobicContact CE2-CD2 4.18Å; F197-F201 HydrophobicContact CZ-CB 4.07Å; F197-F201 AromaticContact CZ-CD2 3.44Å; F197-F201 HydrophobicContact CZ-CD2 3.44Å; F197-F201 VanDerWaalsContact CZ-CD2 3.44Å; F197-F201 HydrophobicContact CZ-CE2 4.09Å; F197-F201 AromaticContact CZ-CG 3.85Å; F197-F201 HydrophobicContact CZ-CG 3.85Å; F197-F201 WeakPolarHBondContact O-CB 3.28Å; F197-F201 PolarHBondContact O-N 3.35Å
198D97.8Very high97.5Very high105 Ų10553.3 Ų53.356%0.56129%0.293SS*.Hα-helixtrans-65.6-37.4-173.1-71.4-24.2000111.9V196 N202V196-D198 PolarHBondContact O-N 3.08Å; D198-N202 WeakPolarHBondContact O-CB 3.01Å; D198-N202 PolarHBondContact O-N 3.37Å; D198-N202 PolarHBondContact O-ND2 2.85Å
199T97.9Very high97.4Very high113 Ų11353.4 Ų53.469%0.69329%0.289SS*.Hα-helixtrans-65-49.4176.4-57.70000111.1V196 F197 D203V196-T199 PolarHBondContact O-N 2.83Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.32Å; T199-D203 PolarHBondContact O-N 3.17Å
200C98.4Very high97.3Very high4 Ų454.5 Ų54.53%0.02729%0.294CS..Hα-helixtrans-78.6-33.5-172.5-57.70000112.5C137 I140 R141 V196 F197 N202 D203C137-C200 WeakPolarHBondContact CA-SG 2.97Å; C137-C200 HydrophobicContact CB-CB 3.96Å; C137-C200 WeakPolarHBondContact CB-SG 3.45Å; C137-C200 WeakPolarHBondContact SG-CB 3.14Å; C137-C200 CovalentContact SG-SG 2.02Å; C137-C200 PolarHBondContact SG-SG 3.49Å; I140-C200 HydrophobicContact CB-CB 4.12Å; I140-C200 HydrophobicContact CD1-CB 4.27Å; I140-C200 HydrophobicContact CG2-CB 3.85Å; R141-C200 HydrophobicContact CG-CB 4.36Å; R141-C200 WeakPolarHBondContact CG-O 3.34Å; V196-C200 WeakPolarHBondContact O-CB 3.28Å; V196-C200 PolarHBondContact O-N 2.67Å; V196-C200 PolarHBondContact O-SG 3.28Å; F197-C200 PolarHBondContact O-N 3.47Å; C200-N202 VanDerWaalsContact C-N 3.32Å; C200-N202 PolarHBondContact O-N 2.98Å; C200-D203 PolarHBondContact O-N 3.18Å
201F97.8Very high97.1Very high16 Ų1651.2 Ų51.27%0.0728%0.279CS..Hα-helixtrans-64.9-36.4175.9-176-91.3000111.9I140 N144 H166 Q167 V170 F197 D203 H204 I210I140-F201 HydrophobicContact CG2-CB 4.19Å; N144-F201 HydrophobicContact CB-CD2 4.49Å; N144-F201 PolarHBondContact ND2-O 2.92Å; N144-F201 VanDerWaalsContact OD1-CE2 3.23Å; N144-F201 WeakPolarHBondContact OD1-CE2 3.35Å; H166-F201 AromaticContact CD2-CE2 3.85Å; H166-F201 AromaticContact CD2-CZ 3.89Å; Q167-F201 HydrophobicContact CG-CE1 4.14Å; Q167-F201 HydrophobicContact CG-CE2 3.83Å; Q167-F201 HydrophobicContact CG-CZ 3.61Å; V170-F201 HydrophobicContact CB-CD2 4.49Å; V170-F201 HydrophobicContact CB-CE2 4.45Å; V170-F201 HydrophobicContact CG1-CD2 4.17Å; V170-F201 HydrophobicContact CG2-CE2 4.16Å; F197-F201 HydrophobicContact CD1-CB 4.11Å; F197-F201 HydrophobicContact CE1-CB 3.82Å; F197-F201 HydrophobicContact CE1-CD1 4.41Å; F197-F201 AromaticContact CE1-CD2 3.86Å; F197-F201 HydrophobicContact CE1-CD2 3.86Å; F197-F201 AromaticContact CE1-CG 3.76Å; F197-F201 HydrophobicContact CE1-CG 3.76Å; F197-F201 HydrophobicContact CE2-CD2 4.18Å; F197-F201 HydrophobicContact CZ-CB 4.07Å; F197-F201 AromaticContact CZ-CD2 3.44Å; F197-F201 HydrophobicContact CZ-CD2 3.44Å; F197-F201 VanDerWaalsContact CZ-CD2 3.44Å; F197-F201 HydrophobicContact CZ-CE2 4.09Å; F197-F201 AromaticContact CZ-CG 3.85Å; F197-F201 HydrophobicContact CZ-CG 3.85Å; F197-F201 WeakPolarHBondContact O-CB 3.28Å; F197-F201 PolarHBondContact O-N 3.35Å; F201-D203 VanDerWaalsContact C-N 3.31Å; F201-H204 PolarHBondContact O-CD2 2.98Å; F201-H204 PolarHBondContact O-NE2 3.49Å; F201-I210 HydrophobicContact CE1-CD1 3.99Å; F201-I210 HydrophobicContact CE2-CD1 4.49Å; F201-I210 HydrophobicContact CZ-CD1 3.79Å
202N97.9Very high96.6Very high102 Ų10248.9 Ų48.955%0.54527%0.27SS..THydrogen-bonded Turntrans-85.2-1.7179.3-69-56.8000113.6D198 C200 H204D198-N202 WeakPolarHBondContact O-CB 3.01Å; D198-N202 PolarHBondContact O-N 3.37Å; D198-N202 PolarHBondContact O-ND2 2.85Å; C200-N202 VanDerWaalsContact C-N 3.32Å; C200-N202 PolarHBondContact O-N 2.98Å; N202-H204 PolarHBondContact O-N 3.4Å
203D98.2Very high96.1Very high52 Ų5251.8 Ų51.828%0.27829%0.285SS..  trans-88.493.8174.5-172.5-15.9000110.9R123 R141 T199 C200 F201 A205R123-D203 IonicContact CZ-OD1 3.86Å; R123-D203 IonicContact CZ-OD2 3.86Å; R123-D203 IonicContact NH1-OD1 3.69Å; R123-D203 IonicContact NH1-OD2 2.99Å; R123-D203 IonicContact NH2-OD1 3.79Å; R123-D203 PolarHBondContact NH2-OD1 3.28Å; R123-D203 IonicContact NH2-OD2 3.82Å; R123-D203 PolarHBondContact NH2-OD2 2.99Å; R141-D203 PolarHBondContact NE-O 3.47Å; R141-D203 IonicContact NE-OD1 3.87Å; R141-D203 IonicContact NE-OD2 3.85Å; T199-D203 PolarHBondContact O-N 3.17Å; C200-D203 PolarHBondContact O-N 3.18Å; F201-D203 VanDerWaalsContact C-N 3.31Å; D203-A205 VanDerWaalsContact C-N 3.35Å; D203-A205 WeakPolarHBondContact OD1-CB 3.29Å; D203-A205 PolarHBondContact OD1-N 2.66Å; D203-A205 VanDerWaalsContact OD1-N 3.17Å
204H97.8Very high95.7Very high48 Ų4858.2 Ų58.222%0.22231%0.313CS..  trans-91.511.5-176.4-52152.5000114L145 F201 N202 F207 G208L145-H204 HydrophobicContact CD2-CB 4.47Å; F201-H204 PolarHBondContact O-CD2 2.98Å; F201-H204 PolarHBondContact O-NE2 3.49Å; N202-H204 PolarHBondContact O-N 3.4Å; H204-F207 CarbonylContact O-C 3.57Å; H204-F207 WeakPolarHBondContact O-CA 3.37Å; H204-F207 WeakPolarHBondContact O-CB 3.41Å; H204-F207 PolarHBondContact O-N 3.34Å; H204-G208 PolarHBondContact O-N 3.02Å
205A96.8Very high95.4Very high26 Ų2660.4 Ų60.422%0.21532%0.318CS..THydrogen-bonded Turntrans-66141.9178.900000111.2F119 R141 D203F119-A205 HydrophobicContact CE1-CB 4.2Å; R141-A205 PolarHBondContact NH2-O 2.93Å; D203-A205 VanDerWaalsContact C-N 3.35Å; D203-A205 WeakPolarHBondContact OD1-CB 3.29Å; D203-A205 PolarHBondContact OD1-N 2.66Å; D203-A205 VanDerWaalsContact OD1-N 3.17Å
206P96.8Very high95.2Very high22 Ų2257.5 Ų57.514%0.14331%0.306CS..THydrogen-bonded Turncis-91.12.8-1.922.4-8.3000113.8L56 L57 A60 F119 G208 F224L56-P206 HydrophobicContact CD2-CB 3.63Å; L56-P206 HydrophobicContact CD2-CG 3.48Å; L56-P206 VanDerWaalsContact CD2-CG 3.48Å; L57-P206 HydrophobicContact CD2-CG 3.77Å; A60-P206 HydrophobicContact CB-CB 3.59Å; A60-P206 HydrophobicContact CB-CG 3.52Å; F119-P206 HydrophobicContact CD1-CG 4.07Å; F119-P206 HydrophobicContact CD2-CG 4.44Å; F119-P206 HydrophobicContact CE1-CB 4.1Å; F119-P206 VanDerWaalsContact CE1-CD 3.41Å; F119-P206 HydrophobicContact CE1-CG 3.59Å; F119-P206 HydrophobicContact CE2-CB 4.4Å; F119-P206 HydrophobicContact CE2-CG 4.04Å; F119-P206 HydrophobicContact CG-CG 4.46Å; F119-P206 HydrophobicContact CZ-CB 3.77Å; F119-P206 HydrophobicContact CZ-CG 3.59Å; P206-G208 VanDerWaalsContact C-N 3.34Å; P206-G208 PolarHBondContact O-N 3.33Å; P206-F224 HydrophobicContact CB-CE2 4.49Å
207F96.9Very high95Very high7 Ų756.6 Ų56.63%0.03130%0.301CS..THydrogen-bonded Turntrans-69.4-27.6-175.3-63.4-88.9000114Y53 L56 L57 T112 I116 L145 H204 R209 P211 A220Y53-F207 AromaticContact CD1-CE1 3.67Å; Y53-F207 HydrophobicContact CD1-CE1 3.67Å; Y53-F207 AromaticContact CD1-CZ 3.98Å; Y53-F207 HydrophobicContact CD1-CZ 3.98Å; Y53-F207 HydrophobicContact CG-CE1 4.23Å; L56-F207 HydrophobicContact CB-CE1 4.43Å; L56-F207 HydrophobicContact CD1-CD1 3.62Å; L56-F207 HydrophobicContact CD1-CE1 4.09Å; L56-F207 HydrophobicContact CD1-CG 4.24Å; L56-F207 HydrophobicContact CD2-CD1 4.34Å; L56-F207 HydrophobicContact CD2-CE1 4.47Å; L56-F207 HydrophobicContact CD2-CG 4.48Å; L56-F207 HydrophobicContact CG-CD1 4.48Å; L57-F207 HydrophobicContact CD1-CE2 4.2Å; L57-F207 HydrophobicContact CD1-CZ 3.83Å; L57-F207 HydrophobicContact CD2-CE2 3.98Å; L57-F207 HydrophobicContact CD2-CZ 4.28Å; L57-F207 HydrophobicContact CG-CE2 4.06Å; L57-F207 HydrophobicContact CG-CZ 3.83Å; T112-F207 HydrophobicContact CG2-CZ 4.43Å; I116-F207 HydrophobicContact CG1-CE2 4.45Å; L145-F207 HydrophobicContact CB-CD2 4.09Å; L145-F207 HydrophobicContact CB-CE2 4.03Å; L145-F207 HydrophobicContact CD1-CD2 4.1Å; L145-F207 HydrophobicContact CD2-CD2 4.42Å; L145-F207 HydrophobicContact CG-CD2 4.43Å; H204-F207 CarbonylContact O-C 3.57Å; H204-F207 WeakPolarHBondContact O-CA 3.37Å; H204-F207 WeakPolarHBondContact O-CB 3.41Å; H204-F207 PolarHBondContact O-N 3.34Å; F207-R209 WeakPolarHBondContact CB-O 3.44Å; F207-R209 PolarHBondContact O-N 2.73Å; F207-P211 HydrophobicContact CB-CG 4.25Å; F207-P211 HydrophobicContact CD1-CG 3.55Å; F207-P211 HydrophobicContact CE1-CG 4.08Å; F207-P211 HydrophobicContact CG-CG 3.98Å; F207-A220 HydrophobicContact CB-CB 4.35Å; F207-A220 HydrophobicContact CD1-CB 4.24Å
208G95.6Very high94.9Very high64 Ų6459.7 Ų59.766%0.6632%0.317SS*.THydrogen-bonded Turntrans69.2-3.8-173.900000114.4H204 P206H204-G208 PolarHBondContact O-N 3.02Å; P206-G208 VanDerWaalsContact C-N 3.34Å; P206-G208 PolarHBondContact O-N 3.33Å
209R94.2Very high94.8Very high93 Ų9358.3 Ų58.335%0.35131%0.306SS..SBendtrans-156163.4176.566.9-170.767.2171.81.9110F207 P211 A220 D223F207-R209 WeakPolarHBondContact CB-O 3.44Å; F207-R209 PolarHBondContact O-N 2.73Å; R209-P211 VanDerWaalsContact O-CD 3.28Å; R209-P211 WeakPolarHBondContact O-CD 3.49Å; R209-A220 HydrophobicContact CG-CB 4.16Å; R209-D223 IonicContact CZ-OD2 3.46Å; R209-D223 IonicContact NH1-OD2 3.8Å; R209-D223 IonicContact NH2-OD2 2.6Å; R209-D223 PolarHBondContact NH2-OD2 2.91Å
210I95Very high94.7Very high25 Ų2553 Ų5313%0.12827%0.274CS..  trans-79.3116.7167.9-58.9168.6000108N144 L145 F201 H212N144-I210 WeakPolarHBondContact OD1-CD1 3.03Å; L145-I210 HydrophobicContact CD2-CG1 4.26Å; F201-I210 HydrophobicContact CE1-CD1 3.99Å; F201-I210 HydrophobicContact CE2-CD1 4.49Å; F201-I210 HydrophobicContact CZ-CD1 3.79Å; I210-H212 PolarHBondContact O-N 2.93Å
211P93.3Very high94.6Very high2 Ų254.8 Ų54.81%0.01328%0.28CS..  trans-85.1107.4179.6-2.121.4000110.1Y53 F207 R209 D216 A217Y53-P211 HydrophobicContact CD1-CB 4.43Å; Y53-P211 HydrophobicContact CD1-CG 4.17Å; Y53-P211 HydrophobicContact CE1-CB 3.53Å; Y53-P211 HydrophobicContact CE1-CG 3.62Å; Y53-P211 PolarHBondContact OH-O 2.63Å; F207-P211 HydrophobicContact CB-CG 4.25Å; F207-P211 HydrophobicContact CD1-CG 3.55Å; F207-P211 HydrophobicContact CE1-CG 4.08Å; F207-P211 HydrophobicContact CG-CG 3.98Å; R209-P211 VanDerWaalsContact O-CD 3.28Å; R209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-D216 HydrophobicContact CB-CB 4.36Å; P211-A217 HydrophobicContact CB-CB 3.89Å
212H87.1Confident94.5Very high101 Ų10160.6 Ų60.647%0.46830%0.302SS..  trans-79-23.8-175.6-62.1-63.6000113.7I210 D216I210-H212 PolarHBondContact O-N 2.93Å; H212-D216 IonicContact CD2-OD2 3.78Å
213D86.8Confident94.3Very high81 Ų8159.5 Ų59.543%0.43330%0.296SS..SBendtrans-149.5-179.1176.768.437000112.4Y53 K215 D216 A217Y53-D213 PolarHBondContact OH-O 2.97Å; D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 VanDerWaalsContact OD1-CA 3.31Å; D213-K215 WeakPolarHBondContact OD1-CA 3.29Å; D213-K215 VanDerWaalsContact OD1-CB 3.25Å; D213-K215 WeakPolarHBondContact OD1-CB 3.31Å; D213-K215 PolarHBondContact OD1-N 3.07Å; D213-D216 PolarHBondContact O-N 2.86Å; D213-D216 PolarHBondContact OD1-N 2.9Å; D213-A217 WeakPolarHBondContact O-CB 3.4Å; D213-A217 PolarHBondContact O-N 3.45Å
214K88.8Confident94.1Very high140 Ų14058.2 Ų58.261%0.60929%0.288SS*.Hα-helixtrans-62.2-32.3179.8-173.4176.5-179.2179.40112.9P52 N218P52-K214 HydrophobicContact CG-CG 4.39Å; K214-N218 PolarHBondContact O-N 3.18Å; K214-N218 PolarHBondContact O-ND2 3.45Å
215K92.1Very high93.9Very high141 Ų14160.6 Ų60.661%0.61330%0.299SS*.Hα-helixtrans-71.6-45.1179.5-176.5-174.9177.5-171.40109.8D213 A217 N218 F219D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 VanDerWaalsContact OD1-CA 3.31Å; D213-K215 WeakPolarHBondContact OD1-CA 3.29Å; D213-K215 VanDerWaalsContact OD1-CB 3.25Å; D213-K215 WeakPolarHBondContact OD1-CB 3.31Å; D213-K215 PolarHBondContact OD1-N 3.07Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.38Å; K215-N218 WeakPolarHBondContact O-CB 3.35Å; K215-N218 PolarHBondContact O-N 3.46Å; K215-F219 HydrophobicContact CD-CE2 4.19Å; K215-F219 HydrophobicContact CG-CD2 4.18Å; K215-F219 HydrophobicContact CG-CE2 3.7Å; K215-F219 VanDerWaalsContact O-CD2 3.23Å; K215-F219 WeakPolarHBondContact O-CD2 3.49Å; K215-F219 PolarHBondContact O-N 3.01Å
216D93.1Very high93.5Very high46 Ų4661.7 Ų61.725%0.24630%0.301CS..Hα-helixtrans-60.6-42.1175.1-74.2-9.3000111.9P211 H212 D213 N218 F219 A220P211-D216 HydrophobicContact CB-CB 4.36Å; H212-D216 IonicContact CD2-OD2 3.78Å; D213-D216 PolarHBondContact O-N 2.86Å; D213-D216 PolarHBondContact OD1-N 2.9Å; D216-N218 VanDerWaalsContact C-N 3.34Å; D216-N218 PolarHBondContact O-N 2.83Å; D216-F219 WeakPolarHBondContact O-CB 3.43Å; D216-F219 PolarHBondContact O-N 3.35Å; D216-F219 VanDerWaalsContact O-N 3.16Å; D216-A220 PolarHBondContact O-N 3.44Å
217A95Very high93Very high0 Ų065.2 Ų65.20%031%0.311CS..Hα-helixtrans-64.1-37.4175.600000113P52 Y53 P211 D213 K215 F219 A220 Y221P52-A217 HydrophobicContact CB-CB 4.19Å; P52-A217 HydrophobicContact CG-CB 3.69Å; Y53-A217 HydrophobicContact CD1-CB 4.25Å; Y53-A217 HydrophobicContact CD2-CB 3.48Å; Y53-A217 VanDerWaalsContact CD2-CB 3.48Å; Y53-A217 HydrophobicContact CE1-CB 4.01Å; Y53-A217 HydrophobicContact CE2-CB 3.16Å; Y53-A217 HydrophobicContact CG-CB 4.02Å; Y53-A217 VanDerWaalsContact CZ-CB 3.46Å; P211-A217 HydrophobicContact CB-CB 3.89Å; D213-A217 WeakPolarHBondContact O-CB 3.4Å; D213-A217 PolarHBondContact O-N 3.45Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.38Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-A220 PolarHBondContact O-N 3.07Å; A217-Y221 WeakPolarHBondContact O-CB 3.31Å; A217-Y221 PolarHBondContact O-N 2.87Å
218N95.9Very high92Very high66 Ų6669.4 Ų69.435%0.35333%0.334SS..Hα-helixtrans-64-38.8172.5-80.9-56.2000112P52 K214 K215 D216 Y221 R222P52-N218 WeakPolarHBondContact CB-OD1 3.33Å; K214-N218 PolarHBondContact O-N 3.18Å; K214-N218 PolarHBondContact O-ND2 3.45Å; K215-N218 WeakPolarHBondContact O-CB 3.35Å; K215-N218 PolarHBondContact O-N 3.46Å; D216-N218 VanDerWaalsContact C-N 3.34Å; D216-N218 PolarHBondContact O-N 2.83Å; N218-Y221 PolarHBondContact O-N 3.34Å; N218-R222 WeakPolarHBondContact O-CB 3.2Å; N218-R222 VanDerWaalsContact O-CG 3.27Å; N218-R222 WeakPolarHBondContact O-CG 3.37Å; N218-R222 PolarHBondContact O-N 3.17Å
219F95.6Very high90.9Very high76 Ų7673.9 Ų73.933%0.33333%0.331SS..Hα-helixtrans-64-47.1174-73.2-62000111.5K215 D216 A217 Y221 R222 D223K215-F219 HydrophobicContact CD-CE2 4.19Å; K215-F219 HydrophobicContact CG-CD2 4.18Å; K215-F219 HydrophobicContact CG-CE2 3.7Å; K215-F219 VanDerWaalsContact O-CD2 3.23Å; K215-F219 WeakPolarHBondContact O-CD2 3.49Å; K215-F219 PolarHBondContact O-N 3.01Å; D216-F219 WeakPolarHBondContact O-CB 3.43Å; D216-F219 PolarHBondContact O-N 3.35Å; D216-F219 VanDerWaalsContact O-N 3.16Å; A217-F219 VanDerWaalsContact C-N 3.33Å; F219-Y221 VanDerWaalsContact C-N 3.29Å; F219-Y221 PolarHBondContact O-N 2.75Å; F219-R222 PolarHBondContact O-N 3.05Å; F219-D223 WeakPolarHBondContact O-CB 3.41Å; F219-D223 VanDerWaalsContact O-CG 3.28Å; F219-D223 PolarHBondContact O-N 3.31Å
220A96.3Very high89.3Confident1 Ų177.7 Ų77.71%0.00835%0.347CS..Hα-helixtrans-56.5-43.8175.500000111.8L56 F207 R209 D216 A217 D223 F224L56-A220 VanDerWaalsContact CD1-C 3.48Å; L56-A220 HydrophobicContact CD1-CB 3.9Å; L56-A220 WeakPolarHBondContact CD1-O 3.25Å; F207-A220 HydrophobicContact CB-CB 4.35Å; F207-A220 HydrophobicContact CD1-CB 4.24Å; R209-A220 HydrophobicContact CG-CB 4.16Å; D216-A220 PolarHBondContact O-N 3.44Å; A217-A220 PolarHBondContact O-N 3.07Å; A220-D223 PolarHBondContact O-N 3.16Å; A220-F224 WeakPolarHBondContact O-CB 3.47Å; A220-F224 PolarHBondContact O-N 3.36Å
221Y96.5Very high87.5Confident42 Ų4284.6 Ų84.617%0.16537%0.373CS..Hα-helixtrans-63.3-46178176.9-115.7000112.5K55 L56 A217 N218 F219 D223 F224 E225K55-Y221 HydrophobicContact CB-CD2 4.06Å; K55-Y221 HydrophobicContact CB-CE2 3.59Å; L56-Y221 HydrophobicContact CB-CD2 3.82Å; L56-Y221 HydrophobicContact CG-CD2 4.43Å; A217-Y221 WeakPolarHBondContact O-CB 3.31Å; A217-Y221 PolarHBondContact O-N 2.87Å; N218-Y221 PolarHBondContact O-N 3.34Å; F219-Y221 VanDerWaalsContact C-N 3.29Å; F219-Y221 PolarHBondContact O-N 2.75Å; Y221-D223 VanDerWaalsContact C-N 3.34Å; Y221-D223 PolarHBondContact O-N 3.22Å; Y221-F224 WeakPolarHBondContact O-CB 3.27Å; Y221-F224 PolarHBondContact O-N 3.24Å; Y221-E225 HydrophobicContact CD2-CG 4.4Å; Y221-E225 VanDerWaalsContact CE1-CD 3.47Å; Y221-E225 HydrophobicContact CE1-CG 4.2Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.43Å; Y221-E225 HydrophobicContact CE2-CG 3.93Å; Y221-E225 PolarHBondContact O-N 3.47Å; Y221-E225 VanDerWaalsContact OH-CD 3.28Å; Y221-E225 PolarHBondContact OH-OE1 3.14Å
222R94.8Very high85.8Confident138 Ų13888.3 Ų88.352%0.52140%0.403SS..Hα-helixtrans-62.3-42.5176.8-73.4173.364.1-162.4-1.8111.9N218 F219 F224 E225 N226N218-R222 WeakPolarHBondContact O-CB 3.2Å; N218-R222 VanDerWaalsContact O-CG 3.27Å; N218-R222 WeakPolarHBondContact O-CG 3.37Å; N218-R222 PolarHBondContact O-N 3.17Å; F219-R222 PolarHBondContact O-N 3.05Å; R222-F224 VanDerWaalsContact C-N 3.32Å; R222-E225 PolarHBondContact O-N 2.91Å; R222-N226 WeakPolarHBondContact O-CB 3.44Å; R222-N226 PolarHBondContact O-N 2.97Å; R222-N226 PolarHBondContact O-ND2 3.21Å
223D94Very high84.3Confident78 Ų7890.3 Ų90.342%0.41742%0.417SS..Hα-helixtrans-64.9-41178.8-69.7-9.8000110.7R209 F219 A220 Y221 N226 R227R209-D223 IonicContact CZ-OD2 3.46Å; R209-D223 IonicContact NH1-OD2 3.8Å; R209-D223 IonicContact NH2-OD2 2.6Å; R209-D223 PolarHBondContact NH2-OD2 2.91Å; F219-D223 WeakPolarHBondContact O-CB 3.41Å; F219-D223 VanDerWaalsContact O-CG 3.28Å; F219-D223 PolarHBondContact O-N 3.31Å; A220-D223 PolarHBondContact O-N 3.16Å; Y221-D223 VanDerWaalsContact C-N 3.34Å; Y221-D223 PolarHBondContact O-N 3.22Å; D223-N226 PolarHBondContact O-N 3.25Å; D223-R227 PolarHBondContact O-N 2.92Å
224F93.9Very high82.5Confident26 Ų2695 Ų9511%0.11444%0.441CS..Hα-helixtrans-58.7-49.5171.7174.5-96.4000111.9L56 A60 P206 A220 Y221 R222 N226 R227L56-F224 HydrophobicContact CD1-CB 4.07Å; L56-F224 HydrophobicContact CD2-CD2 4.25Å; L56-F224 HydrophobicContact CD2-CG 4.25Å; L56-F224 HydrophobicContact CG-CB 3.95Å; L56-F224 HydrophobicContact CG-CD1 4.15Å; L56-F224 HydrophobicContact CG-CD2 4.42Å; L56-F224 HydrophobicContact CG-CG 3.92Å; A60-F224 HydrophobicContact CB-CE2 3.71Å; A60-F224 HydrophobicContact CB-CZ 3.71Å; P206-F224 HydrophobicContact CB-CE2 4.49Å; A220-F224 WeakPolarHBondContact O-CB 3.47Å; A220-F224 PolarHBondContact O-N 3.36Å; Y221-F224 WeakPolarHBondContact O-CB 3.27Å; Y221-F224 PolarHBondContact O-N 3.24Å; R222-F224 VanDerWaalsContact C-N 3.32Å; F224-N226 PolarHBondContact O-N 2.91Å; F224-R227 VanDerWaalsContact CD2-NH1 3.26Å; F224-R227 VanDerWaalsContact CG-NH1 3.35Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 WeakPolarHBondContact O-CD 3.23Å; F224-R227 WeakPolarHBondContact O-CG 3.48Å; F224-R227 PolarHBondContact O-N 3.3Å; F224-R227 PolarHBondContact O-NH1 2.6Å
225E92.4Very high82.2Confident98 Ų9892.8 Ų92.846%0.45843%0.433SS..Hα-helixtrans-61.1-26.8177.5-73.9-169.7131.100113.4Y221 R222Y221-E225 HydrophobicContact CD2-CG 4.4Å; Y221-E225 VanDerWaalsContact CE1-CD 3.47Å; Y221-E225 HydrophobicContact CE1-CG 4.2Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.43Å; Y221-E225 HydrophobicContact CE2-CG 3.93Å; Y221-E225 PolarHBondContact O-N 3.47Å; Y221-E225 VanDerWaalsContact OH-CD 3.28Å; Y221-E225 PolarHBondContact OH-OE1 3.14Å; R222-E225 PolarHBondContact O-N 2.91Å
226N90.2Very high81.7Confident48 Ų4890.2 Ų90.226%0.25742%0.424SS..Hα-helixtrans-91.9-4.9-177.6-65-32.1000114R222 D223 F224 D228 R229R222-N226 WeakPolarHBondContact O-CB 3.44Å; R222-N226 PolarHBondContact O-N 2.97Å; R222-N226 PolarHBondContact O-ND2 3.21Å; D223-N226 PolarHBondContact O-N 3.25Å; F224-N226 PolarHBondContact O-N 2.91Å; N226-D228 PolarHBondContact O-N 3.03Å; N226-D228 VanDerWaalsContact O-N 3.14Å; N226-R229 WeakPolarHBondContact O-CB 3.44Å; N226-R229 PolarHBondContact O-N 3.4Å; N226-R229 WeakPolarHBondContact OD1-CD 3.37Å; N226-R229 PolarHBondContact OD1-NE 3.28Å; N226-R229 PolarHBondContact OD1-NH1 3.29Å; N226-R229 PolarHBondContact OD1-NH2 2.99Å
227R84.6Confident81.1Confident96 Ų9692.7 Ų92.736%0.36243%0.433SS..THydrogen-bonded Turntrans-56.8-34.3-170.373.4-172.8176.3-9614.8114.3S63 D223 F224S63-R227 PolarHBondContact OG-NH2 3.37Å; D223-R227 PolarHBondContact O-N 2.92Å; F224-R227 VanDerWaalsContact CD2-NH1 3.26Å; F224-R227 VanDerWaalsContact CG-NH1 3.35Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 WeakPolarHBondContact O-CD 3.23Å; F224-R227 WeakPolarHBondContact O-CG 3.48Å; F224-R227 PolarHBondContact O-N 3.3Å; F224-R227 PolarHBondContact O-NH1 2.6Å
228D76.6Confident80.2Confident95 Ų9598.1 Ų98.151%0.50846%0.459SS..THydrogen-bonded Turntrans-94.7-3.6-176.6-58.3-46.6000112.9N226 Y230 Y231 A232N226-D228 PolarHBondContact O-N 3.03Å; N226-D228 VanDerWaalsContact O-N 3.14Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 2.98Å; D228-Y231 PolarHBondContact O-N 3.04Å; D228-A232 PolarHBondContact O-N 3.04Å; D228-A232 VanDerWaalsContact O-N 3.08Å
229R73Confident79.3Confident159 Ų159100.1 Ų100.160%0.647%0.466SS*.THydrogen-bonded Turntrans-67.3-25.7-177.2-71.2-172.8179-179.55113.6N226 N233N226-R229 WeakPolarHBondContact O-CB 3.44Å; N226-R229 PolarHBondContact O-N 3.4Å; N226-R229 WeakPolarHBondContact OD1-CD 3.37Å; N226-R229 PolarHBondContact OD1-NE 3.28Å; N226-R229 PolarHBondContact OD1-NH1 3.29Å; N226-R229 PolarHBondContact OD1-NH2 2.99Å; R229-N233 PolarHBondContact O-ND2 3.08Å
230Y59.9Low78.2Confident173 Ų173101.7 Ų101.768%0.67847%0.474SS*.THydrogen-bonded Turntrans-72.1-37.9177.9-166.6-97.2000111.5D228 L234D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 2.98Å; Y230-L234 HydrophobicContact CD1-CD1 4.3Å; Y230-L234 HydrophobicContact CE1-CD1 4.11Å
231Y57.9Low76.9Confident170 Ų170108.9 Ų108.967%0.66751%0.508SS*.G310 helixtrans-84.9-18.1179.7-63.8-72.7000113.8D228 N233 L234D228-Y231 PolarHBondContact O-N 3.04Å; Y231-N233 PolarHBondContact O-N 3.19Å; Y231-L234 HydrophobicContact CD1-CD1 4.32Å
232A58Low75.4Confident79 Ų79114.1 Ų114.165%0.65353%0.534SS*.G310 helixtrans-74.1-11.8176.200000114.2D228D228-A232 PolarHBondContact O-N 3.04Å; D228-A232 VanDerWaalsContact O-N 3.08Å
233N54.8Low73.7Confident144 Ų144112.1 Ų112.177%0.7754%0.535SS*.G310 helixtrans-113.99.2-179-65.7-57.7000113.4R229 Y231R229-N233 PolarHBondContact O-ND2 3.08Å; Y231-N233 PolarHBondContact O-N 3.19Å
234L49.6Very low71.9Confident179 Ų179115.2 Ų115.294%0.93755%0.546SS*.  trans-104.10170.8-71.5170.1000109Y230 Y231Y230-L234 HydrophobicContact CD1-CD1 4.3Å; Y230-L234 HydrophobicContact CE1-CD1 4.11Å; Y231-L234 HydrophobicContact CD1-CD1 4.32Å

Retrieved 234 of 234 residues in 1062.4 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).