A0A087Y4J1_POEFO Loading...

Plasmolipin

AlphaFold DB , UniProt , Accession A0A087Y4J1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 aa.

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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
1M42Very low50.9Low249 Ų249151.6 Ų151.6100%1.22783%0.833SS**  0118.40-116.2172.2-177.300106.5
2A48.4Very low50.3Low83 Ų83149.3 Ų149.369%0.68683%0.827SS**  trans57.485171.700000119
3D50Low49.4Very low171 Ų171146.2 Ų146.291%0.91482%0.822SS**PPolyproline II helixtrans-82.4123.3148.2-78.6-45.5000108.6
4F53Low49.1Very low191 Ų191142.9 Ų142.984%0.83881%0.813SS**PPolyproline II helixtrans-81.2139.9176.7-82.1-93.8000111.1
5P57.3Low48.6Very low125 Ų125141.6 Ų141.681%0.81281%0.812SS**PPolyproline II helixtrans-93.7126.7172.934.4-27.2000110.7
6S57.2Low47.8Very low111 Ų111144.3 Ų144.378%0.77682%0.816SS**  trans-145.5101.5165.260.20000111.6
7K52.2Low47.8Very low201 Ų201142.2 Ų142.287%0.87481%0.809SS**  trans-175.794.4153.1-105.5173.6-176.9-165.40107.5
8V51.9Low47.7Very low126 Ų126144.9 Ų144.976%0.76481%0.814SS**  62.998.590.3-177.50000112.6
9T49.7Very low47.7Very low110 Ų110145 Ų14568%0.67581%0.807SS**  trans30114.6136.7-25.20000118.4E11T9-E11 HydrophobicContact CG2-CG 4.04Å
10T52.9Low47.8Very low132 Ų132140.7 Ų140.781%0.8180%0.797SS**  trans-115.290.6159.4-49.60000108.6T12T10-T12 PolarHBondContact O-N 3.35Å
11E45Very low47.7Very low169 Ų169138.2 Ų138.279%0.7979%0.794SS**  trans-67112.7164.6-69.1-81.9125.500108.1T9T9-E11 HydrophobicContact CG2-CG 4.04Å
12T44.1Very low48Very low123 Ų123129 Ų12976%0.75576%0.762SS**  trans-101.791.6166.3-55.40000108T10T10-T12 PolarHBondContact O-N 3.35Å
13S38.6Very low48.1Very low109 Ų109132.9 Ų132.976%0.76276%0.759SS**  trans-72.3121.9169.1177.10000109.4
14S45.7Very low48.2Very low100 Ų100130.9 Ų130.970%0.69975%0.748SS**  trans-104.8129.3166.238.90000108.6Q16S14-Q16 PolarHBondContact O-N 3.31Å
15P40.3Very low48.2Very low124 Ų124131.7 Ų131.781%0.80575%0.745SS**  trans-80.2110.6178.829.1-29.7000109.8P17P15-P17 WeakPolarHBondContact O-CD 3.45Å
16Q36.9Very low47.9Very low185 Ų185127 Ų12786%0.86472%0.721SS**  trans-94.5114.1169.4-170.4146.9-28.200110.1S14S14-Q16 PolarHBondContact O-N 3.31Å
17P47.5Very low47.8Very low109 Ų109127 Ų12771%0.70871%0.711SS**  trans-91.3113.2174.732.6-25.2000109.3P15P15-P17 WeakPolarHBondContact O-CD 3.45Å
18Q45.6Very low47.7Very low191 Ų191120.3 Ų120.389%0.89369%0.693SS**  trans172.976.6149.6-96.3162.115.400110.9
19Q48Very low47.5Very low146 Ų146118.2 Ų118.268%0.68268%0.684SS**  trans-115.713171.8-80.7-168.71500114.2R23Q19-R23 VanDerWaalsContact OE1-NH2 3.17Å
20G48.7Very low47.5Very low59 Ų59117.4 Ų117.461%0.60868%0.683SS**SBendtrans-87.5-40.6-177.300000115.1
21A47.2Very low47.1Very low88 Ų88115.1 Ų115.173%0.72768%0.677SS**Hα-helixtrans-88.3-21.5-169.700000114.4
22G48.1Very low47.1Very low55 Ų55111.8 Ų111.857%0.56767%0.669SS**Hα-helixtrans-78.5-25.8-179.700000114.1G26G22-G26 PolarHBondContact O-N 2.87Å
23R50.2Low47.2Very low165 Ų165109.9 Ų109.962%0.62366%0.661SS**Hα-helixtrans-74.4-36.8-176.9-66.7-170.7-176.7-158.73.3112.5Q19 G26 L27Q19-R23 VanDerWaalsContact OE1-NH2 3.17Å; R23-G26 PolarHBondContact O-N 2.94Å; R23-L27 WeakPolarHBondContact O-CB 3.44Å; R23-L27 WeakPolarHBondContact O-CD1 3.5Å; R23-L27 WeakPolarHBondContact O-CG 3.43Å; R23-L27 PolarHBondContact O-N 3.04Å
24L53.2Low47.6Very low129 Ų129116 Ų11668%0.67567%0.667SS**Hα-helixtrans-74.2-36.5176.7-66.2173.3000112.2G26 L27 A28L24-G26 VanDerWaalsContact C-N 3.34Å; L24-L27 HydrophobicContact CD2-CD1 4.36Å; L24-L27 PolarHBondContact O-N 2.75Å; L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 3.49Å
25R51.6Low47.4Very low208 Ų208117 Ų11779%0.78566%0.662SS**Hα-helixtrans-67.9-36.2171.8-167.6170.2177.7170.3-1.5111.7S29R25-S29 WeakPolarHBondContact O-CB 3.35Å; R25-S29 PolarHBondContact O-N 3.46Å; R25-S29 PolarHBondContact O-OG 3.46Å
26G51.6Low48.1Very low28 Ų28113.8 Ų113.829%0.28964%0.638SS.*Hα-helixtrans-63.4-42.4170.600000113G22 R23 L24 S29 S30G22-G26 PolarHBondContact O-N 2.87Å; R23-G26 PolarHBondContact O-N 2.94Å; L24-G26 VanDerWaalsContact C-N 3.34Å; G26-S29 VanDerWaalsContact C-OG 3.29Å; G26-S29 VanDerWaalsContact CA-OG 3.23Å; G26-S29 WeakPolarHBondContact CA-OG 3.23Å; G26-S29 PolarHBondContact O-N 3.1Å; G26-S29 PolarHBondContact O-OG 3.11Å; G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.07Å; G26-S30 PolarHBondContact O-OG 3.21Å
27L54Low48.6Very low110 Ų110109.8 Ų109.858%0.57663%0.626SS**Hα-helixtrans-69.6-38.3176.3-73.3163.3000112.3R23 L24 S30 A31R23-L27 WeakPolarHBondContact O-CB 3.44Å; R23-L27 WeakPolarHBondContact O-CD1 3.5Å; R23-L27 WeakPolarHBondContact O-CG 3.43Å; R23-L27 PolarHBondContact O-N 3.04Å; L24-L27 HydrophobicContact CD2-CD1 4.36Å; L24-L27 PolarHBondContact O-N 2.75Å; L27-S30 PolarHBondContact O-N 2.51Å; L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 2.91Å
28A50.2Low48.8Very low61 Ų61108.8 Ų108.850%0.50462%0.622SS.*Hα-helixtrans-67.6-34.7173.200000112.2L24 S30 A31 T32L24-A28 WeakPolarHBondContact O-CB 3.43Å; L24-A28 PolarHBondContact O-N 3.49Å; A28-S30 VanDerWaalsContact C-N 3.31Å; A28-A31 PolarHBondContact O-N 2.94Å; A28-T32 PolarHBondContact O-N 3.38Å; A28-T32 VanDerWaalsContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 2.86Å
29S49.3Very low49.1Very low82 Ų82102.6 Ų102.657%0.57359%0.592SS**Hα-helixtrans-72.6-22171.357.60000113.8R25 G26R25-S29 WeakPolarHBondContact O-CB 3.35Å; R25-S29 PolarHBondContact O-N 3.46Å; R25-S29 PolarHBondContact O-OG 3.46Å; G26-S29 VanDerWaalsContact C-OG 3.29Å; G26-S29 VanDerWaalsContact CA-OG 3.23Å; G26-S29 WeakPolarHBondContact CA-OG 3.23Å; G26-S29 PolarHBondContact O-N 3.1Å; G26-S29 PolarHBondContact O-OG 3.11Å
30S48.4Very low49.2Very low93 Ų9398.8 Ų98.865%0.6558%0.576SS**Hα-helixtrans-86.2-21.1173.9-59.30000113.2G26 L27 A28G26-S30 WeakPolarHBondContact O-CB 3.42Å; G26-S30 PolarHBondContact O-N 3.07Å; G26-S30 PolarHBondContact O-OG 3.21Å; L27-S30 PolarHBondContact O-N 2.51Å; A28-S30 VanDerWaalsContact C-N 3.31Å
31A44.5Very low49.2Very low83 Ų83106.6 Ų106.669%0.68659%0.587SS**Hα-helixtrans-94.3-11.517800000113.2L27 A28 S33L27-A31 WeakPolarHBondContact O-CB 3.35Å; L27-A31 PolarHBondContact O-N 2.91Å; A28-A31 PolarHBondContact O-N 2.94Å; A31-S33 PolarHBondContact O-N 3.45Å
32T45.6Very low50.2Low99 Ų99104.1 Ų104.161%0.60756%0.564SS**SBendtrans-66.9100.6155.8-48.90000104.4A28 R34A28-T32 PolarHBondContact O-N 3.38Å; A28-T32 VanDerWaalsContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 2.86Å; T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.15Å
33S45.8Very low51.1Low84 Ų84106.2 Ų106.259%0.58757%0.566SS**  trans-33.2103.6166.6177.70000107.1A31 M35A31-S33 PolarHBondContact O-N 3.45Å; S33-M35 PolarHBondContact O-N 2.92Å; S33-M35 PolarHBondContact OG-N 2.93Å
34R46.6Very low51.9Low238 Ų238101.7 Ų101.790%0.89856%0.558SS**  trans-71.859166.3-156.8-174.7-161.1-179.94.2104.1T32 D36T32-R34 VanDerWaalsContact C-N 3.3Å; T32-R34 PolarHBondContact O-N 3.15Å; R34-D36 PolarHBondContact O-N 3.39Å
35M43Very low52.7Low120 Ų12095.9 Ų95.959%0.59153%0.528SS*.  trans-52.5107.9160.1-147.8-175.8-58.300101S33 V37S33-M35 PolarHBondContact O-N 2.92Å; S33-M35 PolarHBondContact OG-N 2.93Å; M35-V37 WeakPolarHBondContact O-CG2 3.43Å; M35-V37 PolarHBondContact O-N 3.2Å
36D53.7Low53.7Low57 Ų5788.4 Ų88.431%0.30551%0.511SS..  trans-70.877.9-170.2-158.8-21.4000106.1R34 S38 F39 L40R34-D36 PolarHBondContact O-N 3.39Å; D36-S38 PolarHBondContact O-N 2.87Å; D36-S38 WeakPolarHBondContact OD1-CB 3.19Å; D36-S38 PolarHBondContact OD1-OG 2.73Å; D36-F39 HydrophobicContact CB-CB 3.76Å; D36-F39 WeakPolarHBondContact O-CA 3.44Å; D36-F39 WeakPolarHBondContact O-CB 3.37Å; D36-F39 PolarHBondContact O-N 2.83Å; D36-F39 PolarHBondContact OD1-N 2.94Å; D36-L40 PolarHBondContact O-N 2.66Å
37V48.1Very low54.7Low101 Ų10188.9 Ų88.961%0.61251%0.507SS*.Hα-helixtrans-64.2-23180-147.10000109M35 L40 R41M35-V37 WeakPolarHBondContact O-CG2 3.43Å; M35-V37 PolarHBondContact O-N 3.2Å; V37-L40 HydrophobicContact CG1-CD1 4.34Å; V37-L40 PolarHBondContact O-N 3.44Å; V37-R41 PolarHBondContact O-N 3.37Å
38S52Low55.8Low88 Ų8883.9 Ų83.962%0.61548%0.481SS*.Hα-helixtrans-63.8-36.216618.70000112.8D36 R41 S42D36-S38 PolarHBondContact O-N 2.87Å; D36-S38 WeakPolarHBondContact OD1-CB 3.19Å; D36-S38 PolarHBondContact OD1-OG 2.73Å; S38-R41 WeakPolarHBondContact O-CB 3.44Å; S38-R41 PolarHBondContact O-N 3.18Å; S38-S42 PolarHBondContact O-N 3.2Å
39F52.3Low57Low61 Ų6182.8 Ų82.827%0.26847%0.472SS..Hα-helixtrans-70.2-37.8173.8-162.3-96.1000112D36 R41 S42 A45 L94D36-F39 HydrophobicContact CB-CB 3.76Å; D36-F39 WeakPolarHBondContact O-CA 3.44Å; D36-F39 WeakPolarHBondContact O-CB 3.37Å; D36-F39 PolarHBondContact O-N 2.83Å; D36-F39 PolarHBondContact OD1-N 2.94Å; F39-R41 PolarHBondContact O-N 3.23Å; F39-S42 VanDerWaalsContact O-CB 3.26Å; F39-S42 WeakPolarHBondContact O-CB 3.09Å; F39-S42 PolarHBondContact O-N 3.23Å; F39-S42 PolarHBondContact O-OG 3.03Å; F39-A45 WeakPolarHBondContact O-CB 3.42Å; F39-L94 HydrophobicContact CE1-CB 4.12Å; F39-L94 WeakPolarHBondContact CE1-O 3.29Å
40L49.2Very low58.4Low66 Ų6680.8 Ų80.835%0.34646%0.46SS..Hα-helixtrans-62-22170-72.8172.1000113.1D36 V37 F91 L95D36-L40 PolarHBondContact O-N 2.66Å; V37-L40 HydrophobicContact CG1-CD1 4.34Å; V37-L40 PolarHBondContact O-N 3.44Å; L40-F91 HydrophobicContact CD2-CE2 4.42Å; L40-F91 HydrophobicContact CD2-CZ 4.03Å; L40-L95 HydrophobicContact CD2-CD1 4.07Å; L40-L95 HydrophobicContact CG-CD1 4.45Å
41R49.8Very low60Low223 Ų22376.5 Ų76.584%0.84243%0.43SS*.THydrogen-bonded Turntrans-87.6-4175.8-150.6176.1-174.4169.71.7113.3V37 S38 F39V37-R41 PolarHBondContact O-N 3.37Å; S38-R41 WeakPolarHBondContact O-CB 3.44Å; S38-R41 PolarHBondContact O-N 3.18Å; F39-R41 PolarHBondContact O-N 3.23Å
42S66.5Low61.9Low35 Ų3574.3 Ų74.325%0.24541%0.406CS..SBendtrans-68.9137.9171.972.50000109.7S38 F39 A45 A46S38-S42 PolarHBondContact O-N 3.2Å; F39-S42 VanDerWaalsContact O-CB 3.26Å; F39-S42 WeakPolarHBondContact O-CB 3.09Å; F39-S42 PolarHBondContact O-N 3.23Å; F39-S42 PolarHBondContact O-OG 3.03Å; S42-A45 PolarHBondContact O-N 2.83Å; S42-A45 WeakPolarHBondContact OG-CB 3.22Å; S42-A45 PolarHBondContact OG-N 2.65Å; S42-A46 PolarHBondContact O-N 3.03Å
43V67.4Low63.6Low99 Ų9974.4 Ų74.460%0.641%0.406SS*.Hα-helixtrans-49.5-40.7178.4177.30000112.4A46 L47 L164V43-A46 PolarHBondContact O-N 3.4Å; V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 WeakPolarHBondContact O-CG 3.36Å; V43-L47 PolarHBondContact O-N 3.45Å; V43-L164 HydrophobicContact CG1-CD1 4.46Å
44P67.9Low65.3Low70 Ų7072.5 Ų72.546%0.45539%0.389SS..Hα-helixtrans-65.9-39.9176.6-20.733.4000113.8L47 M48P44-L47 PolarHBondContact O-N 3.2Å; P44-M48 PolarHBondContact O-N 2.88Å
45A69.3Low66.9Low7 Ų761.2 Ų61.26%0.05835%0.346CS..Hα-helixtrans-69.3-37.6178.900000111.9F39 S42 M48 A49F39-A45 WeakPolarHBondContact O-CB 3.42Å; S42-A45 PolarHBondContact O-N 2.83Å; S42-A45 WeakPolarHBondContact OG-CB 3.22Å; S42-A45 PolarHBondContact OG-N 2.65Å; A45-M48 PolarHBondContact O-N 3.02Å; A45-A49 WeakPolarHBondContact O-CB 3.26Å; A45-A49 PolarHBondContact O-N 2.95Å
46A72.3Confident68.8Low52 Ų5259.2 Ų59.243%0.4334%0.338SS..Hα-helixtrans-65-40.2174.500000111.9S42 V43 A49 A50S42-A46 PolarHBondContact O-N 3.03Å; V43-A46 PolarHBondContact O-N 3.4Å; A46-A49 PolarHBondContact O-N 3.21Å; A46-A50 PolarHBondContact O-N 3.28Å
47L73.4Confident70.1Confident37 Ų3760 Ų6019%0.19434%0.342CS..Hα-helixtrans-61.9-48.5174-76.4167.5000111.5V43 P44 A49 A50 E51 L157 L164V43-L47 HydrophobicContact CG1-CD1 4.07Å; V43-L47 WeakPolarHBondContact O-CG 3.36Å; V43-L47 PolarHBondContact O-N 3.45Å; P44-L47 PolarHBondContact O-N 3.2Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 2.98Å; L47-A50 WeakPolarHBondContact O-CB 3.14Å; L47-A50 PolarHBondContact O-N 2.86Å; L47-A50 VanDerWaalsContact O-N 3.13Å; L47-E51 WeakPolarHBondContact O-CG 3.33Å; L47-E51 PolarHBondContact O-N 3.04Å; L47-L157 HydrophobicContact CD2-CD1 3.6Å; L47-L157 HydrophobicContact CD2-CG 4.4Å; L47-L164 HydrophobicContact CD1-CD1 3.65Å
48M75.6Confident71.5Confident6 Ų655.2 Ų55.23%0.0331%0.312CS..Hα-helixtrans-65.2-34.6178-72-162.4-171.600113.3P44 A45 A50 E51 M52 L90 F91 L94 V111P44-M48 PolarHBondContact O-N 2.88Å; A45-M48 PolarHBondContact O-N 3.02Å; M48-A50 VanDerWaalsContact C-N 3.34Å; M48-E51 PolarHBondContact O-N 3.21Å; M48-M52 WeakPolarHBondContact O-CB 3.47Å; M48-M52 WeakPolarHBondContact O-CG 3.3Å; M48-M52 PolarHBondContact O-N 3.49Å; M48-L90 HydrophobicContact CE-CD2 3.57Å; M48-L90 HydrophobicContact CE-CG 4Å; M48-L90 HydrophobicContact SD-CD2 4.16Å; M48-L90 HydrophobicContact SD-CG 4.15Å; M48-F91 HydrophobicContact CB-CD2 3.96Å; M48-L94 HydrophobicContact CE-CD1 3.42Å; M48-L94 VanDerWaalsContact CE-CD1 3.42Å; M48-L94 HydrophobicContact SD-CD1 3.22Å; M48-L94 WeakPolarHBondContact SD-CD1 3.49Å; M48-V111 HydrophobicContact CE-CG1 3.97Å; M48-V111 HydrophobicContact CE-CG2 4.34Å
49A76.5Confident72.8Confident38 Ų3855 Ų5531%0.31430%0.298SS..Hα-helixtrans-63.8-41.517300000111.4A45 A46 L47 M52 V53 F91A45-A49 WeakPolarHBondContact O-CB 3.26Å; A45-A49 PolarHBondContact O-N 2.95Å; A46-A49 PolarHBondContact O-N 3.21Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 2.98Å; A49-M52 PolarHBondContact O-N 3.02Å; A49-V53 WeakPolarHBondContact O-CG2 3.38Å; A49-V53 PolarHBondContact O-N 2.96Å; A49-V53 VanDerWaalsContact O-N 3.16Å; A49-F91 HydrophobicContact CB-CE2 4.33Å
50A79.6Confident74.2Confident40 Ų4054.5 Ų54.533%0.33131%0.305SS..Hα-helixtrans-64.6-43.8174.400000111.8A46 L47 M48 M52 V53 L54 L157A46-A50 PolarHBondContact O-N 3.28Å; L47-A50 WeakPolarHBondContact O-CB 3.14Å; L47-A50 PolarHBondContact O-N 2.86Å; L47-A50 VanDerWaalsContact O-N 3.13Å; M48-A50 VanDerWaalsContact C-N 3.34Å; A50-M52 VanDerWaalsContact C-N 3.3Å; A50-M52 PolarHBondContact O-N 3.32Å; A50-V53 PolarHBondContact O-N 3.46Å; A50-L54 WeakPolarHBondContact O-CB 3.33Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.89Å; A50-L157 HydrophobicContact CB-CD2 4.08Å
51E81.8Confident75.4Confident2 Ų253.1 Ų53.11%0.00930%0.298CS..Hα-helixtrans-58-40.9174.6-71.1166.3-177.500111.8L47 M48 G55 T87 L157 Y158L47-E51 WeakPolarHBondContact O-CG 3.33Å; L47-E51 PolarHBondContact O-N 3.04Å; M48-E51 PolarHBondContact O-N 3.21Å; E51-G55 WeakPolarHBondContact O-CA 3.47Å; E51-G55 PolarHBondContact O-N 3.12Å; E51-T87 HydrophobicContact CB-CG2 4.17Å; E51-L157 HydrophobicContact CB-CD2 4.36Å; E51-L157 HydrophobicContact CG-CB 4.49Å; E51-L157 HydrophobicContact CG-CD2 3.49Å; E51-L157 VanDerWaalsContact CG-CD2 3.49Å; E51-L157 HydrophobicContact CG-CG 3.84Å; E51-Y158 HydrophobicContact CB-CE1 4.19Å; E51-Y158 HydrophobicContact CG-CD1 4.26Å; E51-Y158 HydrophobicContact CG-CE1 3.89Å; E51-Y158 WeakPolarHBondContact OE2-CE1 3.41Å
52M82.6Confident76.5Confident37 Ų3742.6 Ų42.618%0.18226%0.258CS..Hα-helixtrans-63.7-45.1177.2-81.9-68.5-79.800113.1M48 A49 A50 L56 W84 T87 A88M48-M52 WeakPolarHBondContact O-CB 3.47Å; M48-M52 WeakPolarHBondContact O-CG 3.3Å; M48-M52 PolarHBondContact O-N 3.49Å; A49-M52 PolarHBondContact O-N 3.02Å; A50-M52 VanDerWaalsContact C-N 3.3Å; A50-M52 PolarHBondContact O-N 3.32Å; M52-L56 WeakPolarHBondContact O-CB 3.39Å; M52-L56 PolarHBondContact O-N 2.93Å; M52-W84 HydrophobicContact CE-CZ2 4.25Å; M52-W84 PolarHBondContact O-NE1 3.48Å; M52-T87 HydrophobicContact CG-CG2 3.93Å; M52-T87 HydrophobicContact SD-CG2 4Å; M52-A88 VanDerWaalsContact CE-CA 3.48Å; M52-A88 HydrophobicContact CE-CB 3.31Å; M52-A88 WeakPolarHBondContact SD-CA 3.41Å; M52-A88 HydrophobicContact SD-CB 3.72Å; M52-A88 PolarHBondContact SD-N 3.12Å
53V82.8Confident77.1Confident101 Ų10142.8 Ų42.861%0.61226%0.262SS*.Hα-helixtrans-68-45.2179174.60000110.5A49 A50 L56 L57A49-V53 WeakPolarHBondContact O-CG2 3.38Å; A49-V53 PolarHBondContact O-N 2.96Å; A49-V53 VanDerWaalsContact O-N 3.16Å; A50-V53 PolarHBondContact O-N 3.46Å; V53-L56 PolarHBondContact O-N 3.35Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.15Å
54L80.5Confident77.2Confident45 Ų4540.6 Ų40.624%0.23626%0.259CS..Hα-helixtrans-67.2-39.1179-69.5171.4000111.8A50 L57 H58 F150 L154 L157A50-L54 WeakPolarHBondContact O-CB 3.33Å; A50-L54 VanDerWaalsContact O-CG 3.27Å; A50-L54 WeakPolarHBondContact O-CG 3.35Å; A50-L54 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 2.73Å; L54-H58 WeakPolarHBondContact O-CB 3.44Å; L54-H58 PolarHBondContact O-N 3.13Å; L54-F150 HydrophobicContact CD2-CD1 3.83Å; L54-F150 HydrophobicContact CD2-CE1 3.95Å; L54-L154 HydrophobicContact CB-CD1 4.47Å; L54-L154 HydrophobicContact CB-CD2 3.64Å; L54-L154 HydrophobicContact CB-CG 4.06Å; L54-L157 HydrophobicContact CD1-CD2 3.71Å
55G80.4Confident77Confident0 Ų037.6 Ų37.60%024%0.24CC..Hα-helixtrans-65-41.8176.100000112.4E51 L57 H58 W59E51-G55 WeakPolarHBondContact O-CA 3.47Å; E51-G55 PolarHBondContact O-N 3.12Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 2.91Å; G55-H58 PolarHBondContact O-N 3.44Å; G55-W59 PolarHBondContact O-N 2.8Å
56L83.1Confident76.6Confident79 Ų7939.4 Ų39.441%0.41425%0.253SS..Hα-helixtrans-60.5-46174.1-177.270.8000110.6M52 V53 W59 A60 W84M52-L56 WeakPolarHBondContact O-CB 3.39Å; M52-L56 PolarHBondContact O-N 2.93Å; V53-L56 PolarHBondContact O-N 3.35Å; L56-W59 HydrophobicContact CD1-CE3 4Å; L56-W59 HydrophobicContact CD1-CZ3 4Å; L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 3.47Å; L56-W84 HydrophobicContact CD1-CZ2 3.82Å; L56-W84 VanDerWaalsContact N-CD1 3.32Å
57L81.6Confident76Confident73 Ų7340.6 Ų40.638%0.38225%0.247SC..Hα-helixtrans-65.1-43.6179.9-172.862.8000111.7V53 L54 G55 A60 L61 F150V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.15Å; L54-L57 PolarHBondContact O-N 2.73Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 2.91Å; L57-A60 PolarHBondContact O-N 3.26Å; L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.47Å; L57-L61 HydrophobicContact CG-CD1 4.05Å; L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 WeakPolarHBondContact O-CD1 3.37Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.01Å; L57-F150 HydrophobicContact CD2-CD1 4.17Å; L57-F150 HydrophobicContact CD2-CD2 4.25Å; L57-F150 HydrophobicContact CD2-CE1 3.58Å; L57-F150 HydrophobicContact CD2-CE2 3.68Å; L57-F150 HydrophobicContact CD2-CG 4.49Å; L57-F150 HydrophobicContact CD2-CZ 3.31Å; L57-F150 HydrophobicContact CG-CD2 4.45Å; L57-F150 HydrophobicContact CG-CE2 4.2Å; L57-F150 HydrophobicContact CG-CZ 4.3Å
58H77.3Confident75.3Confident0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-60-50177.3178.6-113.6000111.5L54 G55 L61 I62 Y122 A147 F150 L154L54-H58 WeakPolarHBondContact O-CB 3.44Å; L54-H58 PolarHBondContact O-N 3.13Å; G55-H58 PolarHBondContact O-N 3.44Å; H58-L61 PolarHBondContact O-N 3Å; H58-I62 WeakPolarHBondContact CE1-CD1 3.42Å; H58-I62 WeakPolarHBondContact NE2-CD1 3.49Å; H58-I62 WeakPolarHBondContact O-CD1 3.49Å; H58-I62 VanDerWaalsContact O-CG1 3.27Å; H58-I62 WeakPolarHBondContact O-CG1 3.38Å; H58-I62 PolarHBondContact O-N 2.86Å; H58-I62 VanDerWaalsContact O-N 3.16Å; H58-Y122 AromaticContact CE1-CE1 3.87Å; H58-Y122 AromaticContact ND1-CE1 3.6Å; H58-A147 PolarHBondContact CD2-O 2.95Å; H58-A147 PolarHBondContact NE2-O 3.17Å; H58-F150 HydrophobicContact CB-CB 4.18Å; H58-L154 HydrophobicContact CB-CD1 3.77Å
59W79Confident74.6Confident85 Ų8557.9 Ų57.932%0.32231%0.309SS..Hα-helixtrans-63.2-45.3176.7165.461000112.4G55 L56 L61 I62 A63 M77 A80 V81G55-W59 PolarHBondContact O-N 2.8Å; L56-W59 HydrophobicContact CD1-CE3 4Å; L56-W59 HydrophobicContact CD1-CZ3 4Å; W59-L61 VanDerWaalsContact C-N 3.29Å; W59-L61 PolarHBondContact O-N 2.95Å; W59-I62 PolarHBondContact O-N 3.39Å; W59-I62 VanDerWaalsContact O-N 3.17Å; W59-A63 WeakPolarHBondContact O-CB 3.32Å; W59-A63 PolarHBondContact O-N 3.49Å; W59-M77 VanDerWaalsContact NE1-CE 3.28Å; W59-A80 HydrophobicContact CB-CB 4.23Å; W59-V81 HydrophobicContact CD2-CG2 4.29Å; W59-V81 HydrophobicContact CG-CG2 3.88Å
60A81.6Confident74Confident49 Ų4957.1 Ų57.141%0.40530%0.301SS..Hα-helixtrans-61.2-38.2179.700000112.2L56 L57 G64L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 3.47Å; L57-A60 PolarHBondContact O-N 3.26Å; A60-G64 PolarHBondContact O-N 3.46Å
61L75.5Confident73.6Confident38 Ų3861 Ų6120%0.19933%0.325CS..Hα-helixtrans-64.8-40.7175.5-76.7168.1000112.3L57 H58 W59 A65 A146 F150L57-L61 HydrophobicContact CD1-CD1 4.4Å; L57-L61 HydrophobicContact CD1-CG 4.47Å; L57-L61 HydrophobicContact CG-CD1 4.05Å; L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 WeakPolarHBondContact O-CD1 3.37Å; L57-L61 WeakPolarHBondContact O-CG 3.38Å; L57-L61 PolarHBondContact O-N 3.01Å; H58-L61 PolarHBondContact O-N 3Å; W59-L61 VanDerWaalsContact C-N 3.29Å; W59-L61 PolarHBondContact O-N 2.95Å; L61-A65 PolarHBondContact O-N 3.01Å; L61-A146 HydrophobicContact CD1-CB 4.2Å; L61-F150 HydrophobicContact CD1-CD2 3.42Å; L61-F150 VanDerWaalsContact CD1-CD2 3.42Å; L61-F150 HydrophobicContact CD1-CE2 3.65Å
62I72.7Confident73Confident1 Ų162.7 Ų62.71%0.00534%0.34CS..Hα-helixtrans-72.5-42.1178.2-59.5159.9000110.9H58 W59 G64 A65 Y73 V76 M77 A80 A147H58-I62 WeakPolarHBondContact CE1-CD1 3.42Å; H58-I62 WeakPolarHBondContact NE2-CD1 3.49Å; H58-I62 WeakPolarHBondContact O-CD1 3.49Å; H58-I62 VanDerWaalsContact O-CG1 3.27Å; H58-I62 WeakPolarHBondContact O-CG1 3.38Å; H58-I62 PolarHBondContact O-N 2.86Å; H58-I62 VanDerWaalsContact O-N 3.16Å; W59-I62 PolarHBondContact O-N 3.39Å; W59-I62 VanDerWaalsContact O-N 3.17Å; I62-G64 VanDerWaalsContact C-N 3.28Å; I62-G64 PolarHBondContact O-N 3.02Å; I62-A65 PolarHBondContact O-N 3.41Å; I62-A65 VanDerWaalsContact O-N 3.13Å; I62-Y73 HydrophobicContact CG2-CD1 4.01Å; I62-V76 HydrophobicContact CD1-CG1 3.49Å; I62-V76 VanDerWaalsContact CD1-CG1 3.49Å; I62-V76 HydrophobicContact CG1-CG1 4.43Å; I62-M77 HydrophobicContact CB-SD 3.67Å; I62-M77 HydrophobicContact CG2-CG 3.58Å; I62-M77 HydrophobicContact CG2-SD 3.36Å; I62-M77 WeakPolarHBondContact CG2-SD 3.38Å; I62-A80 HydrophobicContact CD1-CB 4.35Å; I62-A147 HydrophobicContact CG1-CB 3.93Å
63A77.3Confident72.5Confident40 Ų4061 Ų6133%0.33133%0.331SS..Hα-helixtrans-62.7-35.5176.900000112.2W59 M77W59-A63 WeakPolarHBondContact O-CB 3.32Å; W59-A63 PolarHBondContact O-N 3.49Å; A63-M77 HydrophobicContact CB-CE 3.96Å; A63-M77 HydrophobicContact CB-SD 4.42Å
64G69.6Low72.1Confident52 Ų5258.3 Ų58.354%0.53632%0.323SS..THydrogen-bonded Turntrans-79.2-12.7175.600000114.6A60 I62 Q143A60-G64 PolarHBondContact O-N 3.46Å; I62-G64 VanDerWaalsContact C-N 3.28Å; I62-G64 PolarHBondContact O-N 3.02Å; G64-Q143 PolarHBondContact O-NE2 3.23Å
65A65.7Low72.1Confident7 Ų761.6 Ų61.66%0.05833%0.333CS..SBendtrans-84.4151.9168.800000109.6L61 I62 Y67L61-A65 PolarHBondContact O-N 3.01Å; I62-A65 PolarHBondContact O-N 3.41Å; I62-A65 VanDerWaalsContact O-N 3.13Å; A65-Y67 PolarHBondContact O-N 3.19Å
66S60.6Low72Confident45 Ų4561.6 Ų61.632%0.31533%0.333SS..  trans-7067.8178.3-44.60000112.2W68 R69 F140S66-W68 PolarHBondContact O-N 2.91Å; S66-W68 VanDerWaalsContact O-N 3.11Å; S66-R69 PolarHBondContact O-N 3.17Å; S66-F140 WeakPolarHBondContact OG-CZ 3.44Å
67Y60.2Low71.9Confident78 Ų7859.3 Ų59.331%0.30632%0.32SS..G310 helixtrans-61.4-21.1-171.967.8-93.3000113.8A65 R69A65-Y67 PolarHBondContact O-N 3.19Å; Y67-R69 PolarHBondContact O-N 3.43Å; Y67-R69 VanDerWaalsContact O-N 3.13Å
68W58Low71.9Confident212 Ų21262.2 Ų62.280%0.80333%0.33SS*.G310 helixtrans-62-16.4177.4-70.293000114.8S66S66-W68 PolarHBondContact O-N 2.91Å; S66-W68 VanDerWaalsContact O-N 3.11Å
69R59.7Low72.1Confident193 Ų19362.4 Ų62.473%0.72833%0.331SS*.G310 helixtrans-79.4-20.2-172-151.5174.5-78-109.63113.1S66 Y67S66-R69 PolarHBondContact O-N 3.17Å; Y67-R69 PolarHBondContact O-N 3.43Å; Y67-R69 VanDerWaalsContact O-N 3.13Å
70V64.2Low72.3Confident23 Ų2358.3 Ų58.314%0.13932%0.316CS..  trans-140.3117-176.9-179.50000109.6A72 Y73 T132 F136V70-A72 HydrophobicContact CG1-CB 3.94Å; V70-A72 PolarHBondContact O-N 3.24Å; V70-Y73 HydrophobicContact CB-CD2 3.87Å; V70-Y73 HydrophobicContact CB-CE2 4.44Å; V70-Y73 HydrophobicContact CG1-CD2 4.15Å; V70-Y73 WeakPolarHBondContact O-CB 3.24Å; V70-Y73 PolarHBondContact O-N 3.04Å; V70-T132 HydrophobicContact CG1-CG2 3.98Å; V70-F136 HydrophobicContact CB-CE2 4.38Å; V70-F136 HydrophobicContact CB-CZ 4.32Å; V70-F136 HydrophobicContact CG2-CE2 3.68Å; V70-F136 HydrophobicContact CG2-CZ 3.69Å
71S70.9Confident72.5Confident121 Ų12158.2 Ų58.285%0.84631%0.31SS*.THydrogen-bonded Turntrans-52.2-32.9-178.7-178.90000113.5Y73 G74S71-Y73 PolarHBondContact O-N 3.24Å; S71-G74 PolarHBondContact O-N 3.37Å
72A70.4Confident72.9Confident38 Ų3858 Ų5831%0.31431%0.314SS..Hα-helixtrans-61-25.5177.800000114V70 G74 W75 T128 T132V70-A72 HydrophobicContact CG1-CB 3.94Å; V70-A72 PolarHBondContact O-N 3.24Å; A72-G74 PolarHBondContact O-N 2.86Å; A72-W75 WeakPolarHBondContact O-CB 3.3Å; A72-W75 PolarHBondContact O-N 3.31Å; A72-T128 HydrophobicContact CB-CG2 3.74Å; A72-T132 HydrophobicContact CB-CG2 4.08Å
73Y71.7Confident73.4Confident2 Ų258.2 Ų58.21%0.00832%0.315CS..Hα-helixtrans-70.9-20.1175.8-84.9-102.5000113.1I62 V70 S71 W75 V76 M77 T132 F136 I144I62-Y73 HydrophobicContact CG2-CD1 4.01Å; V70-Y73 HydrophobicContact CB-CD2 3.87Å; V70-Y73 HydrophobicContact CB-CE2 4.44Å; V70-Y73 HydrophobicContact CG1-CD2 4.15Å; V70-Y73 WeakPolarHBondContact O-CB 3.24Å; V70-Y73 PolarHBondContact O-N 3.04Å; S71-Y73 PolarHBondContact O-N 3.24Å; Y73-W75 VanDerWaalsContact C-N 3.29Å; Y73-W75 PolarHBondContact O-N 3.4Å; Y73-V76 PolarHBondContact O-N 2.82Å; Y73-M77 WeakPolarHBondContact O-CB 3.43Å; Y73-M77 WeakPolarHBondContact O-CG 3.35Å; Y73-M77 PolarHBondContact O-N 2.98Å; Y73-T132 HydrophobicContact CE2-CG2 4.11Å; Y73-T132 VanDerWaalsContact CE2-OG1 3.27Å; Y73-T132 WeakPolarHBondContact CE2-OG1 3.47Å; Y73-T132 PolarHBondContact OH-OG1 3.39Å; Y73-F136 HydrophobicContact CD2-CE2 4.13Å; Y73-F136 HydrophobicContact CD2-CZ 4.16Å; Y73-F136 HydrophobicContact CE2-CD2 4.39Å; Y73-F136 AromaticContact CE2-CE2 3.34Å; Y73-F136 HydrophobicContact CE2-CE2 3.34Å; Y73-F136 AromaticContact CE2-CZ 3.72Å; Y73-F136 HydrophobicContact CE2-CZ 3.72Å; Y73-F136 AromaticContact CZ-CE2 3.75Å; Y73-I144 HydrophobicContact CE1-CG1 4.48Å; Y73-I144 WeakPolarHBondContact OH-CD1 3.25Å; Y73-I144 WeakPolarHBondContact OH-CG2 3.27Å
74G74.8Confident73.7Confident43 Ų4359.5 Ų59.544%0.44331%0.311SS..Hα-helixtrans-62-38.4171.400000112.2S71 A72 F78S71-G74 PolarHBondContact O-N 3.37Å; A72-G74 PolarHBondContact O-N 2.86Å; G74-F78 WeakPolarHBondContact O-CB 3.33Å; G74-F78 PolarHBondContact O-N 3.02Å
75W80.6Confident74.5Confident115 Ų11560.9 Ų60.944%0.43631%0.305SS..Hα-helixtrans-64-47.8174.4176-111.2000111.7A72 Y73 M77 F78 V79 L121 T124A72-W75 WeakPolarHBondContact O-CB 3.3Å; A72-W75 PolarHBondContact O-N 3.31Å; Y73-W75 VanDerWaalsContact C-N 3.29Å; Y73-W75 PolarHBondContact O-N 3.4Å; W75-M77 VanDerWaalsContact C-N 3.32Å; W75-M77 PolarHBondContact O-N 2.86Å; W75-F78 HydrophobicContact CE3-CD1 4.29Å; W75-F78 HydrophobicContact CZ3-CD1 4.02Å; W75-F78 HydrophobicContact CZ3-CE1 4.34Å; W75-F78 PolarHBondContact O-N 2.91Å; W75-V79 HydrophobicContact CD2-CG2 4.05Å; W75-V79 HydrophobicContact CE3-CG2 4.49Å; W75-V79 HydrophobicContact CH2-CG2 4.19Å; W75-V79 HydrophobicContact CZ2-CG2 3.7Å; W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 3.21Å; W75-L121 HydrophobicContact CZ2-CD2 4.27Å; W75-T124 PolarHBondContact NE1-OG1 3.48Å; W75-T124 VanDerWaalsContact NE1-OG1 3.16Å
76V76.9Confident75.3Confident0 Ų064.7 Ų64.70%032%0.324CS..Hα-helixtrans-61-42.6-179.8-1740000110.9I62 Y73 V79 A80 A125 T128I62-V76 HydrophobicContact CD1-CG1 3.49Å; I62-V76 VanDerWaalsContact CD1-CG1 3.49Å; I62-V76 HydrophobicContact CG1-CG1 4.43Å; Y73-V76 PolarHBondContact O-N 2.82Å; V76-V79 PolarHBondContact O-N 2.92Å; V76-A80 VanDerWaalsContact O-CB 3.25Å; V76-A80 WeakPolarHBondContact O-CB 3.3Å; V76-A80 PolarHBondContact O-N 3.47Å; V76-A125 HydrophobicContact CG1-CB 4.04Å; V76-T128 HydrophobicContact CG2-CG2 3.57Å
77M81.1Confident76.4Confident30 Ų3062.5 Ų62.515%0.14831%0.309CS..Hα-helixtrans-64.2-43.8176.1-80.4-66.6-71.800112.8W59 I62 A63 Y73 W75 A80 V81W59-M77 VanDerWaalsContact NE1-CE 3.28Å; I62-M77 HydrophobicContact CB-SD 3.67Å; I62-M77 HydrophobicContact CG2-CG 3.58Å; I62-M77 HydrophobicContact CG2-SD 3.36Å; I62-M77 WeakPolarHBondContact CG2-SD 3.38Å; A63-M77 HydrophobicContact CB-CE 3.96Å; A63-M77 HydrophobicContact CB-SD 4.42Å; Y73-M77 WeakPolarHBondContact O-CB 3.43Å; Y73-M77 WeakPolarHBondContact O-CG 3.35Å; Y73-M77 PolarHBondContact O-N 2.98Å; W75-M77 VanDerWaalsContact C-N 3.32Å; W75-M77 PolarHBondContact O-N 2.86Å; M77-A80 PolarHBondContact O-N 3.05Å; M77-V81 WeakPolarHBondContact O-CB 3.44Å; M77-V81 WeakPolarHBondContact O-CG2 3.27Å; M77-V81 PolarHBondContact O-N 2.93Å
78F82.4Confident77.4Confident135 Ų13559.7 Ų59.759%0.59230%0.302SS*.Hα-helixtrans-59.3-49.9176.3172.6-103.3000111G74 W75 A80 A82G74-F78 WeakPolarHBondContact O-CB 3.33Å; G74-F78 PolarHBondContact O-N 3.02Å; W75-F78 HydrophobicContact CE3-CD1 4.29Å; W75-F78 HydrophobicContact CZ3-CD1 4.02Å; W75-F78 HydrophobicContact CZ3-CE1 4.34Å; W75-F78 PolarHBondContact O-N 2.91Å; F78-A80 PolarHBondContact O-N 3.47Å; F78-A82 WeakPolarHBondContact O-CB 3.24Å; F78-A82 PolarHBondContact O-N 3.45Å
79V82.4Confident78.6Confident3 Ų354.1 Ų54.12%0.01829%0.287CS..Hα-helixtrans-60.6-47.3178.6171.10000111.2W75 V76 L83 L121 A125W75-V79 HydrophobicContact CD2-CG2 4.05Å; W75-V79 HydrophobicContact CE3-CG2 4.49Å; W75-V79 HydrophobicContact CH2-CG2 4.19Å; W75-V79 HydrophobicContact CZ2-CG2 3.7Å; W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 3.21Å; V76-V79 PolarHBondContact O-N 2.92Å; V79-L83 HydrophobicContact CG1-CD1 3.71Å; V79-L83 HydrophobicContact CG1-CG 4.43Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.1Å; V79-L83 PolarHBondContact O-N 3.3Å; V79-L121 HydrophobicContact CG1-CB 3.87Å; V79-A125 HydrophobicContact CG1-CB 4.42Å
80A82.8Confident79.4Confident0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-62.4-48.9-178.200000112.2W59 I62 V76 M77 F78 W84W59-A80 HydrophobicContact CB-CB 4.23Å; I62-A80 HydrophobicContact CD1-CB 4.35Å; V76-A80 VanDerWaalsContact O-CB 3.25Å; V76-A80 WeakPolarHBondContact O-CB 3.3Å; V76-A80 PolarHBondContact O-N 3.47Å; M77-A80 PolarHBondContact O-N 3.05Å; F78-A80 PolarHBondContact O-N 3.47Å; A80-W84 WeakPolarHBondContact O-CB 3.32Å; A80-W84 PolarHBondContact O-N 3.4Å
81V84.6Confident80.1Confident47 Ų4746.8 Ų46.829%0.28526%0.26SS..Hα-helixtrans-69-46.4-179.3176.90000111.3W59 M77 L83 W84 I85W59-V81 HydrophobicContact CD2-CG2 4.29Å; W59-V81 HydrophobicContact CG-CG2 3.88Å; M77-V81 WeakPolarHBondContact O-CB 3.44Å; M77-V81 WeakPolarHBondContact O-CG2 3.27Å; M77-V81 PolarHBondContact O-N 2.93Å; V81-L83 PolarHBondContact O-N 3.16Å; V81-W84 PolarHBondContact O-N 3.23Å; V81-I85 HydrophobicContact CG1-CD1 3.78Å; V81-I85 HydrophobicContact CG1-CG1 4.37Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.05Å
82A84.6Confident80.4Confident33 Ų3344.7 Ų44.727%0.27324%0.239SC..Hα-helixtrans-61.9-46.4-178.200000111.1F78 I85 L86F78-A82 WeakPolarHBondContact O-CB 3.24Å; F78-A82 PolarHBondContact O-N 3.45Å; A82-I85 PolarHBondContact O-N 2.81Å; A82-L86 WeakPolarHBondContact O-CB 3.21Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.22Å; A82-L86 PolarHBondContact O-N 3.36Å
83L82Confident80.7Confident5 Ų545.1 Ų45.13%0.02624%0.237CC..Hα-helixtrans-67.1-40.2177.6-72.3176.4000112V79 V81 I85 L86 T87 Y114 A118 L121 Y122V79-L83 HydrophobicContact CG1-CD1 3.71Å; V79-L83 HydrophobicContact CG1-CG 4.43Å; V79-L83 VanDerWaalsContact O-CB 3.27Å; V79-L83 WeakPolarHBondContact O-CB 3.31Å; V79-L83 WeakPolarHBondContact O-CG 3.1Å; V79-L83 PolarHBondContact O-N 3.3Å; V81-L83 PolarHBondContact O-N 3.16Å; L83-I85 PolarHBondContact O-N 3.39Å; L83-L86 HydrophobicContact CD2-CD1 4.45Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-T87 PolarHBondContact O-N 3.46Å; L83-T87 PolarHBondContact O-OG1 2.98Å; L83-Y114 PolarHBondContact O-OH 2.93Å; L83-A118 HydrophobicContact CD1-CB 4.4Å; L83-A118 HydrophobicContact CD2-CB 4.03Å; L83-L121 HydrophobicContact CD1-CB 3.74Å; L83-L121 HydrophobicContact CD1-CD1 4.25Å; L83-L121 HydrophobicContact CD2-CD1 4.04Å; L83-L121 HydrophobicContact CG-CD1 4.38Å; L83-Y122 HydrophobicContact CB-CE2 3.8Å; L83-Y122 HydrophobicContact CD1-CD2 3.4Å; L83-Y122 VanDerWaalsContact CD1-CD2 3.4Å; L83-Y122 HydrophobicContact CD1-CE2 3.34Å; L83-Y122 HydrophobicContact CD1-CG 4.27Å; L83-Y122 HydrophobicContact CG-CE2 4.22Å
84W85.2Confident80.7Confident67 Ų6746.1 Ų46.125%0.25424%0.242SC..Hα-helixtrans-59.9-45.7176-176.978.8000112.1M52 L56 A80 V81 L86 T87 A88M52-W84 HydrophobicContact CE-CZ2 4.25Å; M52-W84 PolarHBondContact O-NE1 3.48Å; L56-W84 HydrophobicContact CD1-CZ2 3.82Å; L56-W84 VanDerWaalsContact N-CD1 3.32Å; A80-W84 WeakPolarHBondContact O-CB 3.32Å; A80-W84 PolarHBondContact O-N 3.4Å; V81-W84 PolarHBondContact O-N 3.23Å; W84-L86 PolarHBondContact O-N 2.91Å; W84-T87 PolarHBondContact O-N 3.39Å; W84-A88 WeakPolarHBondContact O-CB 3.49Å; W84-A88 PolarHBondContact O-N 3.42Å
85I84.8Confident80.4Confident81 Ų8147.1 Ų47.142%0.41524%0.237SC..Hα-helixtrans-61.8-45175.3-67.2171.2000110.6V81 A82 L83 T87 A88 L89V81-I85 HydrophobicContact CG1-CD1 3.78Å; V81-I85 HydrophobicContact CG1-CG1 4.37Å; V81-I85 WeakPolarHBondContact O-CG1 3.46Å; V81-I85 PolarHBondContact O-N 3.05Å; A82-I85 PolarHBondContact O-N 2.81Å; L83-I85 PolarHBondContact O-N 3.39Å; I85-T87 PolarHBondContact O-N 2.82Å; I85-A88 WeakPolarHBondContact O-CB 3.47Å; I85-A88 PolarHBondContact O-N 2.94Å; I85-L89 HydrophobicContact CG2-CD1 4.05Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.49Å; I85-L89 PolarHBondContact O-N 2.78Å
86L83.9Confident80.1Confident87 Ų8748.3 Ų48.346%0.45525%0.246SC..Hα-helixtrans-63.6-39.8178.5-71.7167.7000112.1A82 L83 W84 A88 L89 L90 Y114A82-L86 WeakPolarHBondContact O-CB 3.21Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.22Å; A82-L86 PolarHBondContact O-N 3.36Å; L83-L86 HydrophobicContact CD2-CD1 4.45Å; L83-L86 PolarHBondContact O-N 3.39Å; W84-L86 PolarHBondContact O-N 2.91Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-L89 PolarHBondContact O-N 3.45Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 PolarHBondContact O-N 3.27Å; L86-Y114 HydrophobicContact CB-CE2 3.75Å
87T82.6Confident79.6Confident0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-65.3-40.5175.4-50.60000109.7E51 M52 L83 W84 I85 L89 L90 F91 Y114 Y158E51-T87 HydrophobicContact CB-CG2 4.17Å; M52-T87 HydrophobicContact CG-CG2 3.93Å; M52-T87 HydrophobicContact SD-CG2 4Å; L83-T87 PolarHBondContact O-N 3.46Å; L83-T87 PolarHBondContact O-OG1 2.98Å; W84-T87 PolarHBondContact O-N 3.39Å; I85-T87 PolarHBondContact O-N 2.82Å; T87-L89 PolarHBondContact O-N 2.81Å; T87-L90 PolarHBondContact O-N 3.36Å; T87-F91 VanDerWaalsContact O-CB 3.24Å; T87-F91 WeakPolarHBondContact O-CB 3.32Å; T87-F91 PolarHBondContact O-N 2.89Å; T87-Y114 VanDerWaalsContact CA-OH 3.29Å; T87-Y114 WeakPolarHBondContact CA-OH 3.29Å; T87-Y114 WeakPolarHBondContact CB-OH 3.47Å; T87-Y114 PolarHBondContact N-OH 3.17Å; T87-Y114 PolarHBondContact OG1-OH 3.14Å; T87-Y158 PolarHBondContact OG1-OH 3.34Å
88A81.4Confident78.6Confident18 Ų1849.6 Ų49.615%0.14926%0.256CS..Hα-helixtrans-61.1-46176.600000111.6M52 W84 I85 L86 F91 L92M52-A88 VanDerWaalsContact CE-CA 3.48Å; M52-A88 HydrophobicContact CE-CB 3.31Å; M52-A88 WeakPolarHBondContact SD-CA 3.41Å; M52-A88 HydrophobicContact SD-CB 3.72Å; M52-A88 PolarHBondContact SD-N 3.12Å; W84-A88 WeakPolarHBondContact O-CB 3.49Å; W84-A88 PolarHBondContact O-N 3.42Å; I85-A88 WeakPolarHBondContact O-CB 3.47Å; I85-A88 PolarHBondContact O-N 2.94Å; L86-A88 VanDerWaalsContact C-N 3.32Å; A88-F91 PolarHBondContact O-N 3.36Å; A88-L92 VanDerWaalsContact O-CG 3.29Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.3Å
89L83.6Confident77.6Confident96 Ų9644.6 Ų44.650%0.50324%0.237SC..Hα-helixtrans-62.6-46.3177-70.3171.7000111.3I85 L86 T87 F91 L92 V93I85-L89 HydrophobicContact CG2-CD1 4.05Å; I85-L89 HydrophobicContact CG2-CG 4.41Å; I85-L89 WeakPolarHBondContact O-CG 3.49Å; I85-L89 PolarHBondContact O-N 2.78Å; L86-L89 PolarHBondContact O-N 3.45Å; T87-L89 PolarHBondContact O-N 2.81Å; L89-F91 VanDerWaalsContact C-N 3.33Å; L89-F91 PolarHBondContact O-N 3.27Å; L89-L92 PolarHBondContact O-N 2.97Å; L89-V93 VanDerWaalsContact O-CG2 3.27Å; L89-V93 WeakPolarHBondContact O-CG2 3.12Å; L89-V93 PolarHBondContact O-N 2.95Å
90L77.1Confident76.6Confident21 Ų2150.6 Ų50.611%0.1127%0.265CS..Hα-helixtrans-62.2-42.2177.9-171.962.2000111.5M48 L86 T87 L92 V93 L94 Y114M48-L90 HydrophobicContact CE-CD2 3.57Å; M48-L90 HydrophobicContact CE-CG 4Å; M48-L90 HydrophobicContact SD-CD2 4.16Å; M48-L90 HydrophobicContact SD-CG 4.15Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 PolarHBondContact O-N 3.27Å; T87-L90 PolarHBondContact O-N 3.36Å; L90-L92 PolarHBondContact O-N 3.5Å; L90-V93 PolarHBondContact O-N 2.89Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.3Å; L90-L94 PolarHBondContact O-N 3.31Å; L90-Y114 HydrophobicContact CD2-CD1 3.48Å; L90-Y114 VanDerWaalsContact CD2-CD1 3.48Å; L90-Y114 HydrophobicContact CD2-CE1 3.86Å; L90-Y114 HydrophobicContact CD2-CG 3.93Å
91F77.8Confident75.6Confident41 Ų4160.8 Ų60.818%0.1830%0.304CS..Hα-helixtrans-60.7-43.3174.7-177.9-100.7000111.8L40 M48 A49 T87 A88 L89 L94 L95L40-F91 HydrophobicContact CD2-CE2 4.42Å; L40-F91 HydrophobicContact CD2-CZ 4.03Å; M48-F91 HydrophobicContact CB-CD2 3.96Å; A49-F91 HydrophobicContact CB-CE2 4.33Å; T87-F91 VanDerWaalsContact O-CB 3.24Å; T87-F91 WeakPolarHBondContact O-CB 3.32Å; T87-F91 PolarHBondContact O-N 2.89Å; A88-F91 PolarHBondContact O-N 3.36Å; L89-F91 VanDerWaalsContact C-N 3.33Å; L89-F91 PolarHBondContact O-N 3.27Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-L95 HydrophobicContact CE1-CD2 4.4Å; F91-L95 VanDerWaalsContact O-CB 3.24Å; F91-L95 WeakPolarHBondContact O-CB 3.22Å; F91-L95 PolarHBondContact O-N 3.49Å
92L78.7Confident74.4Confident77 Ų7763 Ų6340%0.40331%0.313SS..Hα-helixtrans-63-44.9175.4-71176.1000111.8A88 L89 L90 L94 L95 F96A88-L92 VanDerWaalsContact O-CG 3.29Å; A88-L92 WeakPolarHBondContact O-CG 3.47Å; A88-L92 PolarHBondContact O-N 3.3Å; L89-L92 PolarHBondContact O-N 2.97Å; L90-L92 PolarHBondContact O-N 3.5Å; L92-L94 VanDerWaalsContact C-N 3.27Å; L92-L94 PolarHBondContact O-N 3.05Å; L92-L95 HydrophobicContact CD2-CD2 4.45Å; L92-L95 PolarHBondContact O-N 3.35Å; L92-F96 HydrophobicContact CB-CD2 4.39Å; L92-F96 HydrophobicContact CB-CE2 4.23Å; L92-F96 HydrophobicContact CD2-CE2 4.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.36Å; L92-F96 PolarHBondContact O-N 3.4Å
93V75Confident73.3Confident47 Ų4766.9 Ų66.929%0.28534%0.338SS..Hα-helixtrans-57.9-42.3177.1170.60000111.1L89 L90 V98 W107L89-V93 VanDerWaalsContact O-CG2 3.27Å; L89-V93 WeakPolarHBondContact O-CG2 3.12Å; L89-V93 PolarHBondContact O-N 2.95Å; L90-V93 PolarHBondContact O-N 2.89Å; V93-V98 HydrophobicContact CG1-CB 3.74Å; V93-V98 HydrophobicContact CG1-CG1 4.06Å; V93-V98 HydrophobicContact CG1-CG2 4.12Å; V93-V98 VanDerWaalsContact O-CB 3.31Å; V93-V98 WeakPolarHBondContact O-CB 3.44Å; V93-V98 VanDerWaalsContact O-CG2 3.3Å; V93-V98 WeakPolarHBondContact O-CG2 3.45Å; V93-V98 PolarHBondContact O-N 3.38Å; V93-V98 VanDerWaalsContact O-N 3.14Å; V93-W107 HydrophobicContact CG1-CH2 3.66Å; V93-W107 HydrophobicContact CG1-CZ3 3.67Å
94L71.7Confident72.6Confident22 Ų2271.2 Ų71.212%0.11538%0.375CS..Hα-helixtrans-69.9-40.3175.7-69.3172.8000112.5F39 M48 L90 F91 L92 F96 S97 P99F39-L94 HydrophobicContact CE1-CB 4.12Å; F39-L94 WeakPolarHBondContact CE1-O 3.29Å; M48-L94 HydrophobicContact CE-CD1 3.42Å; M48-L94 VanDerWaalsContact CE-CD1 3.42Å; M48-L94 HydrophobicContact SD-CD1 3.22Å; M48-L94 WeakPolarHBondContact SD-CD1 3.49Å; L90-L94 HydrophobicContact CG-CD1 4.32Å; L90-L94 WeakPolarHBondContact O-CB 3.49Å; L90-L94 VanDerWaalsContact O-CG 3.29Å; L90-L94 WeakPolarHBondContact O-CG 3.3Å; L90-L94 PolarHBondContact O-N 3.31Å; F91-L94 PolarHBondContact O-N 2.95Å; L92-L94 VanDerWaalsContact C-N 3.27Å; L92-L94 PolarHBondContact O-N 3.05Å; L94-F96 VanDerWaalsContact C-N 3.35Å; L94-F96 PolarHBondContact O-N 2.9Å; L94-S97 WeakPolarHBondContact O-CA 3.01Å; L94-S97 PolarHBondContact O-N 2.91Å; L94-P99 HydrophobicContact CD2-CG 3.69Å
95L69.8Low71.9Confident64 Ų6471 Ų7134%0.33538%0.381SS..Hα-helixtrans-63.5-38.2178.3-175.569.1000112.3L40 F91 L92 S97L40-L95 HydrophobicContact CD2-CD1 4.07Å; L40-L95 HydrophobicContact CG-CD1 4.45Å; F91-L95 HydrophobicContact CE1-CD2 4.4Å; F91-L95 VanDerWaalsContact O-CB 3.24Å; F91-L95 WeakPolarHBondContact O-CB 3.22Å; F91-L95 PolarHBondContact O-N 3.49Å; L92-L95 HydrophobicContact CD2-CD2 4.45Å; L92-L95 PolarHBondContact O-N 3.35Å; L95-S97 PolarHBondContact O-N 3.3Å
96F73.5Confident71.6Confident140 Ų14071 Ų7161%0.61439%0.386SS*.THydrogen-bonded Turntrans-77.55.2174.1-69.1-62000113.4L92 L94 V98L92-F96 HydrophobicContact CB-CD2 4.39Å; L92-F96 HydrophobicContact CB-CE2 4.23Å; L92-F96 HydrophobicContact CD2-CE2 4.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.36Å; L92-F96 PolarHBondContact O-N 3.4Å; L94-F96 VanDerWaalsContact C-N 3.35Å; L94-F96 PolarHBondContact O-N 2.9Å; F96-V98 HydrophobicContact CB-CG2 4.02Å; F96-V98 PolarHBondContact O-N 3.48Å; F96-V98 VanDerWaalsContact O-N 3.12Å
97S65.8Low71.1Confident19 Ų1969.2 Ų69.213%0.13337%0.373CS..THydrogen-bonded Turntrans53.832.1-179.4-48.10000112.9L94 L95 Q100L94-S97 WeakPolarHBondContact O-CA 3.01Å; L94-S97 PolarHBondContact O-N 2.91Å; L95-S97 PolarHBondContact O-N 3.3Å; S97-Q100 VanDerWaalsContact CB-OE1 3.28Å; S97-Q100 WeakPolarHBondContact O-CB 3.21Å; S97-Q100 PolarHBondContact O-N 2.94Å
98V61Low70.7Confident39 Ų3971.6 Ų71.624%0.23639%0.388CS..Hα-helixtrans-53.6-34.7175.6179.10000112.4V93 F96 Q100 R101 L102 W107V93-V98 HydrophobicContact CG1-CB 3.74Å; V93-V98 HydrophobicContact CG1-CG1 4.06Å; V93-V98 HydrophobicContact CG1-CG2 4.12Å; V93-V98 VanDerWaalsContact O-CB 3.31Å; V93-V98 WeakPolarHBondContact O-CB 3.44Å; V93-V98 VanDerWaalsContact O-CG2 3.3Å; V93-V98 WeakPolarHBondContact O-CG2 3.45Å; V93-V98 PolarHBondContact O-N 3.38Å; V93-V98 VanDerWaalsContact O-N 3.14Å; F96-V98 HydrophobicContact CB-CG2 4.02Å; F96-V98 PolarHBondContact O-N 3.48Å; F96-V98 VanDerWaalsContact O-N 3.12Å; V98-Q100 PolarHBondContact O-N 3.4Å; V98-R101 PolarHBondContact O-N 2.87Å; V98-L102 HydrophobicContact CG1-CD1 3.78Å; V98-L102 HydrophobicContact CG1-CG 4.4Å; V98-L102 PolarHBondContact O-N 3.2Å; V98-W107 HydrophobicContact CG1-CH2 3.96Å; V98-W107 HydrophobicContact CG1-CZ2 3.97Å
99P60.9Low70.2Confident30 Ų3074.7 Ų74.720%0.19540%0.4CS..Hα-helixtrans-57.7-30.9174.2-25.433.4000114.9L94 R101 W107L94-P99 HydrophobicContact CD2-CG 3.69Å; P99-R101 VanDerWaalsContact C-N 3.33Å; P99-W107 HydrophobicContact CB-CD2 3.98Å; P99-W107 HydrophobicContact CB-CG 3.89Å; P99-W107 HydrophobicContact CG-CD2 3.91Å; P99-W107 HydrophobicContact CG-CE3 4.17Å; P99-W107 HydrophobicContact CG-CG 4.22Å
100Q61.2Low70Confident128 Ų12872.9 Ų72.960%0.59839%0.393SS*.Hα-helixtrans-76.6-23.8178.6-60.6169.5-4.400112S97 V98S97-Q100 VanDerWaalsContact CB-OE1 3.28Å; S97-Q100 WeakPolarHBondContact O-CB 3.21Å; S97-Q100 PolarHBondContact O-N 2.94Å; V98-Q100 PolarHBondContact O-N 3.4Å
101R62.2Low70.1Confident215 Ų21572.8 Ų72.881%0.81139%0.393SS*.Hα-helixtrans-92.5-24.8178.8-63-162.9-177.1-99.52.7113.3V98 P99V98-R101 PolarHBondContact O-N 2.87Å; P99-R101 VanDerWaalsContact C-N 3.33Å
102L60.2Low70Confident94 Ų9473.1 Ų73.149%0.49240%0.396SS..  trans-123.873.2-178.1-68.1175000110.2V98 A104 W107V98-L102 HydrophobicContact CG1-CD1 3.78Å; V98-L102 HydrophobicContact CG1-CG 4.4Å; V98-L102 PolarHBondContact O-N 3.2Å; L102-A104 PolarHBondContact O-N 3.28Å; L102-W107 HydrophobicContact CB-CZ2 4.24Å; L102-W107 PolarHBondContact O-NE1 2.91Å
103S61.4Low70.1Confident114 Ų11476 Ų7680%0.79741%0.409SS*.THydrogen-bonded Turntrans-70.8-7.9176.252.30000114.2V105S103-V105 VanDerWaalsContact C-N 3.26Å; S103-V105 PolarHBondContact O-N 2.93Å
104A67.3Low70.5Confident96 Ų9675.4 Ų75.479%0.79340%0.402SS*.THydrogen-bonded Turntrans-71-18.6178.800000113.7L102L102-A104 PolarHBondContact O-N 3.28Å
105V70.4Confident70.9Confident62 Ų6274.6 Ų74.638%0.37640%0.398SS..SBendtrans-99.8130.7-179-179.80000109.6S103 W107S103-V105 VanDerWaalsContact C-N 3.26Å; S103-V105 PolarHBondContact O-N 2.93Å; V105-W107 VanDerWaalsContact C-N 3.28Å; V105-W107 HydrophobicContact CB-CZ2 4.43Å; V105-W107 PolarHBondContact O-N 3.4Å; V105-W107 PolarHBondContact O-NE1 3.49Å
106P78.3Confident71.5Confident80 Ų8072.8 Ų72.852%0.51939%0.394SS..  trans-73.182173.530.8-34.6000110.4T108 M109 T110P106-T108 VanDerWaalsContact C-N 3.27Å; P106-T108 PolarHBondContact O-N 3.49Å; P106-M109 HydrophobicContact CB-CB 4.31Å; P106-M109 HydrophobicContact CB-CG 4.49Å; P106-M109 HydrophobicContact CG-CB 4.45Å; P106-M109 WeakPolarHBondContact O-CB 3.39Å; P106-M109 PolarHBondContact O-N 3.41Å; P106-T110 PolarHBondContact O-N 2.94Å; P106-T110 PolarHBondContact O-OG1 2.94Å
107W74.1Confident72Confident51 Ų5170 Ų7019%0.19339%0.389CS..Hα-helixtrans-56.4-36.7-175.6-69.298000113.8V93 V98 P99 L102 V105 M109 T110 V111V93-W107 HydrophobicContact CG1-CH2 3.66Å; V93-W107 HydrophobicContact CG1-CZ3 3.67Å; V98-W107 HydrophobicContact CG1-CH2 3.96Å; V98-W107 HydrophobicContact CG1-CZ2 3.97Å; P99-W107 HydrophobicContact CB-CD2 3.98Å; P99-W107 HydrophobicContact CB-CG 3.89Å; P99-W107 HydrophobicContact CG-CD2 3.91Å; P99-W107 HydrophobicContact CG-CE3 4.17Å; P99-W107 HydrophobicContact CG-CG 4.22Å; L102-W107 HydrophobicContact CB-CZ2 4.24Å; L102-W107 PolarHBondContact O-NE1 2.91Å; V105-W107 VanDerWaalsContact C-N 3.28Å; V105-W107 HydrophobicContact CB-CZ2 4.43Å; V105-W107 PolarHBondContact O-N 3.4Å; V105-W107 PolarHBondContact O-NE1 3.49Å; W107-M109 VanDerWaalsContact C-N 3.31Å; W107-M109 PolarHBondContact O-N 3.37Å; W107-T110 PolarHBondContact O-N 2.95Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 3.41Å
108T73.8Confident72.7Confident50 Ų5069.1 Ų69.131%0.30738%0.383SS..Hα-helixtrans-59.7-40.9176.5-45.70000111.7P106 M112 S165 D168 W169P106-T108 VanDerWaalsContact C-N 3.27Å; P106-T108 PolarHBondContact O-N 3.49Å; T108-M112 VanDerWaalsContact O-CB 3.3Å; T108-M112 WeakPolarHBondContact O-CB 3.39Å; T108-M112 PolarHBondContact O-N 2.92Å; T108-S165 WeakPolarHBondContact CG2-O 3.48Å; T108-D168 HydrophobicContact CG2-CB 4.19Å; T108-W169 HydrophobicContact CG2-CB 4.14Å
109M71.3Confident73.6Confident83 Ų8368 Ų6841%0.40938%0.378SS..Hα-helixtrans-68.5-41.1175.8-79-169.3155.400112P106 W107 M112 M113P106-M109 HydrophobicContact CB-CB 4.31Å; P106-M109 HydrophobicContact CB-CG 4.49Å; P106-M109 HydrophobicContact CG-CB 4.45Å; P106-M109 WeakPolarHBondContact O-CB 3.39Å; P106-M109 PolarHBondContact O-N 3.41Å; W107-M109 VanDerWaalsContact C-N 3.31Å; W107-M109 PolarHBondContact O-N 3.37Å; M109-M112 PolarHBondContact O-N 3.49Å; M109-M113 WeakPolarHBondContact O-CB 3.38Å; M109-M113 WeakPolarHBondContact O-CG 3.49Å; M109-M113 PolarHBondContact O-N 3.35Å
110T78.6Confident74.7Confident58 Ų5872 Ų7236%0.35640%0.397SS..Hα-helixtrans-60.6-47177.3-55.60000111.6P106 W107 M113 Y114P106-T110 PolarHBondContact O-N 2.94Å; P106-T110 PolarHBondContact O-OG1 2.94Å; W107-T110 PolarHBondContact O-N 2.95Å; T110-M113 PolarHBondContact O-N 2.9Å; T110-Y114 VanDerWaalsContact O-CB 3.28Å; T110-Y114 WeakPolarHBondContact O-CB 3.34Å; T110-Y114 PolarHBondContact O-N 3.22Å
111V79.6Confident75.7Confident19 Ų1968.4 Ų68.412%0.11538%0.381CS..Hα-helixtrans-66-42.1178.9175.30000111M48 W107 Y114 N115M48-V111 HydrophobicContact CE-CG1 3.97Å; M48-V111 HydrophobicContact CE-CG2 4.34Å; W107-V111 WeakPolarHBondContact O-CG2 3.39Å; W107-V111 PolarHBondContact O-N 3.41Å; V111-Y114 PolarHBondContact O-N 3.41Å; V111-N115 WeakPolarHBondContact CG1-ND2 3.27Å; V111-N115 VanDerWaalsContact O-CB 3.3Å; V111-N115 WeakPolarHBondContact O-CB 3.45Å; V111-N115 VanDerWaalsContact O-CG 3.3Å; V111-N115 PolarHBondContact O-N 2.85Å; V111-N115 PolarHBondContact O-ND2 3.35Å
112M75.2Confident76.5Confident47 Ų4758.1 Ų58.123%0.23234%0.343CS..Hα-helixtrans-60.5-48.3176.2-175.3-177.469.900112.2T108 M109 N115 G116 Y166T108-M112 VanDerWaalsContact O-CB 3.3Å; T108-M112 WeakPolarHBondContact O-CB 3.39Å; T108-M112 PolarHBondContact O-N 2.92Å; M109-M112 PolarHBondContact O-N 3.49Å; M112-N115 PolarHBondContact O-N 3.02Å; M112-G116 PolarHBondContact O-N 3.23Å; M112-Y166 HydrophobicContact SD-CD2 4.15Å
113M81.2Confident77.4Confident137 Ų13757.1 Ų57.168%0.67534%0.337SS*.Hα-helixtrans-63.3-44177.9-77.7-172.814500111.7M109 T110 G116 V117M109-M113 WeakPolarHBondContact O-CB 3.38Å; M109-M113 WeakPolarHBondContact O-CG 3.49Å; M109-M113 PolarHBondContact O-N 3.35Å; T110-M113 PolarHBondContact O-N 2.9Å; M113-G116 PolarHBondContact O-N 2.89Å; M113-V117 WeakPolarHBondContact O-CG2 3.49Å; M113-V117 PolarHBondContact O-N 3.38Å
114Y82.8Confident78.3Confident36 Ų3654.2 Ų54.214%0.14132%0.315CS..Hα-helixtrans-58.7-51.9177.4176.4-101.6000111.5L83 L86 T87 L90 T110 V111 G116 V117 A118 Y158L83-Y114 PolarHBondContact O-OH 2.93Å; L86-Y114 HydrophobicContact CB-CE2 3.75Å; T87-Y114 VanDerWaalsContact CA-OH 3.29Å; T87-Y114 WeakPolarHBondContact CA-OH 3.29Å; T87-Y114 WeakPolarHBondContact CB-OH 3.47Å; T87-Y114 PolarHBondContact N-OH 3.17Å; T87-Y114 PolarHBondContact OG1-OH 3.14Å; L90-Y114 HydrophobicContact CD2-CD1 3.48Å; L90-Y114 VanDerWaalsContact CD2-CD1 3.48Å; L90-Y114 HydrophobicContact CD2-CE1 3.86Å; L90-Y114 HydrophobicContact CD2-CG 3.93Å; T110-Y114 VanDerWaalsContact O-CB 3.28Å; T110-Y114 WeakPolarHBondContact O-CB 3.34Å; T110-Y114 PolarHBondContact O-N 3.22Å; V111-Y114 PolarHBondContact O-N 3.41Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.94Å; Y114-V117 PolarHBondContact O-N 2.9Å; Y114-A118 VanDerWaalsContact O-CB 3.25Å; Y114-A118 WeakPolarHBondContact O-CB 3.35Å; Y114-A118 PolarHBondContact O-N 3.49Å; Y114-Y158 HydrophobicContact CE1-CE1 4.09Å
115N81.4Confident78.8Confident4 Ų449.6 Ų49.62%0.02128%0.277CS..Hα-helixtrans-61.5-39.7179.3-76.3-24000112V111 M112 A119 Y158 A162V111-N115 WeakPolarHBondContact CG1-ND2 3.27Å; V111-N115 VanDerWaalsContact O-CB 3.3Å; V111-N115 WeakPolarHBondContact O-CB 3.45Å; V111-N115 VanDerWaalsContact O-CG 3.3Å; V111-N115 PolarHBondContact O-N 2.85Å; V111-N115 PolarHBondContact O-ND2 3.35Å; M112-N115 PolarHBondContact O-N 3.02Å; N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 3.18Å; N115-Y158 WeakPolarHBondContact CB-O 3.26Å; N115-Y158 WeakPolarHBondContact OD1-CD1 3.43Å; N115-A162 HydrophobicContact CB-CB 3.78Å
116G80.5Confident79.2Confident26 Ų2650 Ų5027%0.26827%0.274SS..Hα-helixtrans-63.3-47.7175.400000113.1M112 M113 Y114 A119 L120M112-G116 PolarHBondContact O-N 3.23Å; M113-G116 PolarHBondContact O-N 2.89Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.94Å; G116-A119 PolarHBondContact O-N 3.3Å; G116-L120 WeakPolarHBondContact O-CG 3.48Å; G116-L120 PolarHBondContact O-N 3.49Å; G116-L120 VanDerWaalsContact O-N 3.14Å
117V84.2Confident79.3Confident81 Ų8150.9 Ų50.949%0.49127%0.273SS..Hα-helixtrans-65.6-42.2177.7173.20000111M113 Y114 A119 L120 L121M113-V117 WeakPolarHBondContact O-CG2 3.49Å; M113-V117 PolarHBondContact O-N 3.38Å; Y114-V117 PolarHBondContact O-N 2.9Å; V117-A119 PolarHBondContact O-N 2.97Å; V117-L120 PolarHBondContact O-N 2.95Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 3.2Å
118A80.3Confident79.5Confident1 Ų149.9 Ų49.91%0.00827%0.273CS..Hα-helixtrans-60.6-44.2176.400000111.5L83 Y114 L120 L121 Y122 Y158L83-A118 HydrophobicContact CD1-CB 4.4Å; L83-A118 HydrophobicContact CD2-CB 4.03Å; Y114-A118 VanDerWaalsContact O-CB 3.25Å; Y114-A118 WeakPolarHBondContact O-CB 3.35Å; Y114-A118 PolarHBondContact O-N 3.49Å; A118-L120 PolarHBondContact O-N 2.91Å; A118-L121 PolarHBondContact O-N 3.44Å; A118-Y122 WeakPolarHBondContact O-CB 3.4Å; A118-Y122 WeakPolarHBondContact O-CD2 3.28Å; A118-Y122 PolarHBondContact O-N 3.43Å; A118-Y158 HydrophobicContact CB-CD1 3.75Å; A118-Y158 HydrophobicContact CB-CD2 4.05Å; A118-Y158 HydrophobicContact CB-CE1 4.01Å; A118-Y158 HydrophobicContact CB-CE2 4.33Å; A118-Y158 HydrophobicContact CB-CG 3.77Å
119A79.9Confident79.5Confident16 Ų1647.5 Ų47.513%0.13226%0.258CS..Hα-helixtrans-59.9-44.8176.700000112.2N115 G116 V117 L123N115-A119 WeakPolarHBondContact O-CB 3.41Å; N115-A119 PolarHBondContact O-N 3.18Å; G116-A119 PolarHBondContact O-N 3.3Å; V117-A119 PolarHBondContact O-N 2.97Å; A119-L123 VanDerWaalsContact O-CB 3.32Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.98Å
120L83.9Confident79.6Confident114 Ų11446 Ų4660%0.59726%0.259SS*.Hα-helixtrans-62.8-44.9177.1-71.4176000112.1G116 V117 A118 L123 T124G116-L120 WeakPolarHBondContact O-CG 3.48Å; G116-L120 PolarHBondContact O-N 3.49Å; G116-L120 VanDerWaalsContact O-N 3.14Å; V117-L120 PolarHBondContact O-N 2.95Å; A118-L120 PolarHBondContact O-N 2.91Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.77Å; L120-T124 WeakPolarHBondContact O-CG2 3.45Å; L120-T124 PolarHBondContact O-N 3.37Å
121L82.4Confident79.5Confident52 Ų5247 Ų4727%0.27227%0.273SS..Hα-helixtrans-66.8-44179.7-74.1173.1000111.7W75 V79 L83 V117 A118 L123 T124 A125W75-L121 HydrophobicContact CZ2-CD2 4.27Å; V79-L121 HydrophobicContact CG1-CB 3.87Å; L83-L121 HydrophobicContact CD1-CB 3.74Å; L83-L121 HydrophobicContact CD1-CD1 4.25Å; L83-L121 HydrophobicContact CD2-CD1 4.04Å; L83-L121 HydrophobicContact CG-CD1 4.38Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.38Å; V117-L121 WeakPolarHBondContact O-CB 3.29Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 3.2Å; A118-L121 PolarHBondContact O-N 3.44Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 2.88Å; L121-T124 PolarHBondContact O-N 3.33Å; L121-T124 VanDerWaalsContact O-N 3.11Å; L121-T124 PolarHBondContact O-OG1 2.98Å; L121-A125 PolarHBondContact O-N 3.49Å; L121-A125 VanDerWaalsContact O-N 3.07Å
122Y79.4Confident79Confident0 Ų046.3 Ų46.30%027%0.269CS..Hα-helixtrans-63.3-32.5173-89.5-72.5000112.7H58 L83 A118 A125 F126 L154 T155 Y158H58-Y122 AromaticContact CE1-CE1 3.87Å; H58-Y122 AromaticContact ND1-CE1 3.6Å; L83-Y122 HydrophobicContact CB-CE2 3.8Å; L83-Y122 HydrophobicContact CD1-CD2 3.4Å; L83-Y122 VanDerWaalsContact CD1-CD2 3.4Å; L83-Y122 HydrophobicContact CD1-CE2 3.34Å; L83-Y122 HydrophobicContact CD1-CG 4.27Å; L83-Y122 HydrophobicContact CG-CE2 4.22Å; A118-Y122 WeakPolarHBondContact O-CB 3.4Å; A118-Y122 WeakPolarHBondContact O-CD2 3.28Å; A118-Y122 PolarHBondContact O-N 3.43Å; Y122-A125 WeakPolarHBondContact O-CB 3.32Å; Y122-A125 PolarHBondContact O-N 3.16Å; Y122-F126 PolarHBondContact O-N 3.23Å; Y122-L154 HydrophobicContact CD1-CB 3.85Å; Y122-L154 HydrophobicContact CD1-CD1 4.03Å; Y122-L154 HydrophobicContact CD2-CB 4.28Å; Y122-L154 HydrophobicContact CE1-CB 4.01Å; Y122-L154 HydrophobicContact CE1-CD1 3.38Å; Y122-L154 HydrophobicContact CE1-CG 4.26Å; Y122-L154 HydrophobicContact CE2-CB 4.43Å; Y122-L154 HydrophobicContact CG-CB 4.01Å; Y122-T155 VanDerWaalsContact C-OG1 3.31Å; Y122-T155 WeakPolarHBondContact CB-OG1 3.25Å; Y122-Y158 AromaticContact CD2-CD2 3.67Å; Y122-Y158 HydrophobicContact CD2-CD2 3.67Å; Y122-Y158 AromaticContact CD2-CE2 3.48Å; Y122-Y158 HydrophobicContact CD2-CE2 3.48Å; Y122-Y158 VanDerWaalsContact CD2-CE2 3.48Å; Y122-Y158 AromaticContact CE2-CD2 3.98Å; Y122-Y158 HydrophobicContact CE2-CD2 3.98Å; Y122-Y158 AromaticContact CE2-CE2 3.27Å; Y122-Y158 HydrophobicContact CE2-CE2 3.27Å
123L79.9Confident78.6Confident73 Ų7347.5 Ų47.538%0.38228%0.279SS..Hα-helixtrans-62.7-42.7171.8179.964.4000111.1A119 L120 L121 A125 F126 L127 T155A119-L123 VanDerWaalsContact O-CB 3.32Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 PolarHBondContact O-N 2.98Å; L120-L123 WeakPolarHBondContact O-CB 3.25Å; L120-L123 PolarHBondContact O-N 2.77Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-L123 PolarHBondContact O-N 2.88Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 2.65Å; L123-F126 HydrophobicContact CD1-CD1 4.46Å; L123-F126 PolarHBondContact O-N 3.47Å; L123-L127 HydrophobicContact CD1-CD1 3.62Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CD1 3.25Å; L123-L127 WeakPolarHBondContact O-CD1 3.37Å; L123-L127 PolarHBondContact O-N 3.34Å; L123-T155 HydrophobicContact CB-CG2 4.12Å; L123-T155 PolarHBondContact N-OG1 3.48Å
124T80.3Confident77.7Confident52 Ų5251.2 Ų51.232%0.31929%0.285SS..Hα-helixtrans-63.9-35.7175.273.70000112.7W75 L120 L121 L127 T128W75-T124 PolarHBondContact NE1-OG1 3.48Å; W75-T124 VanDerWaalsContact NE1-OG1 3.16Å; L120-T124 WeakPolarHBondContact O-CG2 3.45Å; L120-T124 PolarHBondContact O-N 3.37Å; L121-T124 PolarHBondContact O-N 3.33Å; L121-T124 VanDerWaalsContact O-N 3.11Å; L121-T124 PolarHBondContact O-OG1 2.98Å; T124-L127 PolarHBondContact O-N 3.48Å; T124-T128 WeakPolarHBondContact O-CB 3.34Å; T124-T128 PolarHBondContact O-N 3.37Å; T124-T128 PolarHBondContact O-OG1 2.79Å
125A78Confident76.6Confident0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-65.2-44.8174.600000111.2V76 V79 L121 Y122 L123 T128 N129V76-A125 HydrophobicContact CG1-CB 4.04Å; V79-A125 HydrophobicContact CG1-CB 4.42Å; L121-A125 PolarHBondContact O-N 3.49Å; L121-A125 VanDerWaalsContact O-N 3.07Å; Y122-A125 WeakPolarHBondContact O-CB 3.32Å; Y122-A125 PolarHBondContact O-N 3.16Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 2.65Å; A125-T128 PolarHBondContact O-N 2.92Å; A125-N129 PolarHBondContact O-N 3.35Å
126F77.6Confident75.5Confident71 Ų7156.4 Ų56.431%0.31131%0.31SS..Hα-helixtrans-60.3-47.2173.8172.9-109.4000112.3Y122 L123 T128 N129 A130 A148 A152Y122-F126 PolarHBondContact O-N 3.23Å; L123-F126 HydrophobicContact CD1-CD1 4.46Å; L123-F126 PolarHBondContact O-N 3.47Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.17Å; F126-N129 PolarHBondContact O-N 2.93Å; F126-A130 WeakPolarHBondContact O-CB 3.46Å; F126-A130 PolarHBondContact O-N 3Å; F126-A148 HydrophobicContact CD2-CB 4.3Å; F126-A148 WeakPolarHBondContact CD2-O 3.44Å; F126-A148 HydrophobicContact CE2-CB 4.32Å; F126-A152 HydrophobicContact CD2-CB 3.91Å; F126-A152 HydrophobicContact CE2-CB 4.01Å; F126-A152 HydrophobicContact CG-CB 4.41Å
127L80.7Confident74.1Confident98 Ų9862.7 Ų62.751%0.51333%0.333SS..Hα-helixtrans-60.4-38.8177.3-96.769.7000111.8L123 T124 A130 A131L123-L127 HydrophobicContact CD1-CD1 3.62Å; L123-L127 HydrophobicContact CG-CD1 3.98Å; L123-L127 VanDerWaalsContact O-CD1 3.25Å; L123-L127 WeakPolarHBondContact O-CD1 3.37Å; L123-L127 PolarHBondContact O-N 3.34Å; T124-L127 PolarHBondContact O-N 3.48Å; L127-A130 PolarHBondContact O-N 3.35Å; L127-A131 WeakPolarHBondContact O-CB 3.35Å; L127-A131 PolarHBondContact O-N 3.28Å
128T78.4Confident73Confident29 Ų2961.3 Ų61.318%0.17833%0.334CS..Hα-helixtrans-67.4-41.5177.8-58.60000111.3A72 V76 T124 A125 F126 A131 T132A72-T128 HydrophobicContact CB-CG2 3.74Å; V76-T128 HydrophobicContact CG2-CG2 3.57Å; T124-T128 WeakPolarHBondContact O-CB 3.34Å; T124-T128 PolarHBondContact O-N 3.37Å; T124-T128 PolarHBondContact O-OG1 2.79Å; A125-T128 PolarHBondContact O-N 2.92Å; F126-T128 VanDerWaalsContact C-N 3.27Å; F126-T128 PolarHBondContact O-N 3.17Å; T128-A131 PolarHBondContact O-N 2.89Å; T128-T132 WeakPolarHBondContact O-CB 3.39Å; T128-T132 VanDerWaalsContact O-CG2 3.26Å; T128-T132 WeakPolarHBondContact O-CG2 3.48Å; T128-T132 PolarHBondContact O-N 3.4Å; T128-T132 VanDerWaalsContact O-N 3.08Å; T128-T132 PolarHBondContact O-OG1 2.87Å
129N73.9Confident71.8Confident1 Ų167.2 Ų67.21%0.00538%0.376CS..Hα-helixtrans-63-41.3172.9-71.9-15.9000111.4A125 F126 T132 V133 A148A125-N129 PolarHBondContact O-N 3.35Å; F126-N129 PolarHBondContact O-N 2.93Å; N129-T132 PolarHBondContact O-N 3.13Å; N129-T132 PolarHBondContact O-OG1 3.21Å; N129-V133 PolarHBondContact O-N 3.42Å; N129-A148 HydrophobicContact CB-CB 4.02Å
130A74.2Confident70.7Confident51 Ų5170 Ų7042%0.42139%0.385SS..Hα-helixtrans-65.8-41.317700000112.7F126 L127 T132 V133F126-A130 WeakPolarHBondContact O-CB 3.46Å; F126-A130 PolarHBondContact O-N 3Å; L127-A130 PolarHBondContact O-N 3.35Å; A130-T132 VanDerWaalsContact C-N 3.34Å; A130-T132 PolarHBondContact O-N 2.88Å; A130-V133 VanDerWaalsContact O-CG1 3.26Å; A130-V133 WeakPolarHBondContact O-CG1 3.33Å
131A75.5Confident69.6Low78 Ų7868.3 Ų68.365%0.64537%0.374SS*.Hα-helixtrans-68.8-32.7179.100000112.7L127 T128L127-A131 WeakPolarHBondContact O-CB 3.35Å; L127-A131 PolarHBondContact O-N 3.28Å; T128-A131 PolarHBondContact O-N 2.89Å
132T69.5Low68.7Low6 Ų668.8 Ų68.84%0.03739%0.392CS..Hα-helixtrans-89.3-7.4-17756.70000113.6V70 A72 Y73 T128 N129 A130 R134 Q135 F136V70-T132 HydrophobicContact CG1-CG2 3.98Å; A72-T132 HydrophobicContact CB-CG2 4.08Å; Y73-T132 HydrophobicContact CE2-CG2 4.11Å; Y73-T132 VanDerWaalsContact CE2-OG1 3.27Å; Y73-T132 WeakPolarHBondContact CE2-OG1 3.47Å; Y73-T132 PolarHBondContact OH-OG1 3.39Å; T128-T132 WeakPolarHBondContact O-CB 3.39Å; T128-T132 VanDerWaalsContact O-CG2 3.26Å; T128-T132 WeakPolarHBondContact O-CG2 3.48Å; T128-T132 PolarHBondContact O-N 3.4Å; T128-T132 VanDerWaalsContact O-N 3.08Å; T128-T132 PolarHBondContact O-OG1 2.87Å; N129-T132 PolarHBondContact O-N 3.13Å; N129-T132 PolarHBondContact O-OG1 3.21Å; A130-T132 VanDerWaalsContact C-N 3.34Å; A130-T132 PolarHBondContact O-N 2.88Å; T132-R134 PolarHBondContact O-N 2.9Å; T132-Q135 WeakPolarHBondContact O-CB 3.33Å; T132-Q135 PolarHBondContact O-N 3.39Å; T132-F136 WeakPolarHBondContact O-CD2 3.33Å
133V65.7Low68.1Low72 Ų7272.1 Ų72.144%0.43641%0.407SS..THydrogen-bonded Turntrans-56-29.2-178.482.10000113.3N129 A130 F136N129-V133 PolarHBondContact O-N 3.42Å; A130-V133 VanDerWaalsContact O-CG1 3.26Å; A130-V133 WeakPolarHBondContact O-CG1 3.33Å; V133-F136 VanDerWaalsContact O-O 3.05Å
134R62.3Low67.6Low215 Ų21568.9 Ų68.981%0.81139%0.39SS*.THydrogen-bonded Turntrans-76.7-20.8177.5-72.6-170.6147.8-154.6-6.8114T132T132-R134 PolarHBondContact O-N 2.9Å
135Q60.5Low67.1Low129 Ų12968.4 Ų68.460%0.60340%0.395SS*.THydrogen-bonded Turntrans-85.5-21.3-177.2-66177.7-36.700112.4T132T132-Q135 WeakPolarHBondContact O-CB 3.33Å; T132-Q135 PolarHBondContact O-N 3.39Å
136F59.3Low67Low20 Ų2069.9 Ų69.99%0.08841%0.407CS..  trans-93.2107.5166.8-63.3-94.5000105.6V70 Y73 T132 V133 H141 I144V70-F136 HydrophobicContact CB-CE2 4.38Å; V70-F136 HydrophobicContact CB-CZ 4.32Å; V70-F136 HydrophobicContact CG2-CE2 3.68Å; V70-F136 HydrophobicContact CG2-CZ 3.69Å; Y73-F136 HydrophobicContact CD2-CE2 4.13Å; Y73-F136 HydrophobicContact CD2-CZ 4.16Å; Y73-F136 HydrophobicContact CE2-CD2 4.39Å; Y73-F136 AromaticContact CE2-CE2 3.34Å; Y73-F136 HydrophobicContact CE2-CE2 3.34Å; Y73-F136 AromaticContact CE2-CZ 3.72Å; Y73-F136 HydrophobicContact CE2-CZ 3.72Å; Y73-F136 AromaticContact CZ-CE2 3.75Å; T132-F136 WeakPolarHBondContact O-CD2 3.33Å; V133-F136 VanDerWaalsContact O-O 3.05Å; F136-H141 PolarHBondContact O-CE1 3.32Å; F136-H141 PolarHBondContact O-NE2 3.4Å; F136-I144 HydrophobicContact CB-CD1 3.76Å; F136-I144 HydrophobicContact CD1-CD1 3.31Å; F136-I144 HydrophobicContact CD2-CD1 3.37Å; F136-I144 HydrophobicContact CE1-CD1 3.63Å; F136-I144 HydrophobicContact CE2-CD1 3.73Å; F136-I144 HydrophobicContact CG-CD1 3.15Å; F136-I144 HydrophobicContact CZ-CD1 3.83Å
137Q50.8Low66.9Low158 Ų15866.6 Ų66.674%0.73839%0.393SS*.  trans-119.4112.9166.6-68.4-72-67.500105.5H141Q137-H141 VanDerWaalsContact C-CE1 3.45Å; Q137-H141 WeakPolarHBondContact CA-CE1 3.41Å; Q137-H141 PolarHBondContact N-CE1 3.14Å; Q137-H141 PolarHBondContact NE2-NE2 2.83Å
138G61.3Low66.7Low51 Ų5162.7 Ų62.753%0.52638%0.376SS..SBendtrans128.5-161.9-170.600000117.7F140 H141G138-F140 PolarHBondContact O-N 2.87Å; G138-H141 PolarHBondContact N-CE1 3.49Å; G138-H141 PolarHBondContact N-ND1 3.45Å; G138-H141 PolarHBondContact O-CE1 3.26Å; G138-H141 PolarHBondContact O-N 3.27Å; G138-H141 PolarHBondContact O-ND1 2.9Å
139S55Low66.8Low126 Ų12667.9 Ų67.988%0.88140%0.396SS*.THydrogen-bonded Turntrans-59.4-8.6-163.9-53.40000119.1
140F56.1Low67.1Low75 Ų7569.8 Ų69.833%0.32940%0.404SS..THydrogen-bonded Turntrans-101.210.4-176.3-66.9-80.2000115.2S66 G138 G142 I144S66-F140 WeakPolarHBondContact OG-CZ 3.44Å; G138-F140 PolarHBondContact O-N 2.87Å; F140-G142 VanDerWaalsContact C-N 3.35Å; F140-G142 PolarHBondContact O-N 3.3Å; F140-I144 PolarHBondContact O-N 3.32Å
141H60.1Low67.1Low78 Ų7867.4 Ų67.436%0.36138%0.384SS..Hα-helixtrans-62.3-40.1-177.9-75.348.7000113F136 Q137 G138 I144 G145F136-H141 PolarHBondContact O-CE1 3.32Å; F136-H141 PolarHBondContact O-NE2 3.4Å; Q137-H141 VanDerWaalsContact C-CE1 3.45Å; Q137-H141 WeakPolarHBondContact CA-CE1 3.41Å; Q137-H141 PolarHBondContact N-CE1 3.14Å; Q137-H141 PolarHBondContact NE2-NE2 2.83Å; G138-H141 PolarHBondContact N-CE1 3.49Å; G138-H141 PolarHBondContact N-ND1 3.45Å; G138-H141 PolarHBondContact O-CE1 3.26Å; G138-H141 PolarHBondContact O-N 3.27Å; G138-H141 PolarHBondContact O-ND1 2.9Å; H141-I144 PolarHBondContact O-N 2.98Å; H141-G145 PolarHBondContact O-N 3.06Å
142G63.7Low67.3Low62 Ų6265 Ų6564%0.63937%0.365SS*.Hα-helixtrans-63.6-43.8-176.700000112.4F140 A146F140-G142 VanDerWaalsContact C-N 3.35Å; F140-G142 PolarHBondContact O-N 3.3Å; G142-A146 WeakPolarHBondContact O-CB 3.47Å; G142-A146 PolarHBondContact O-N 2.95Å
143Q67.6Low67.8Low69 Ų6966.1 Ų66.132%0.32237%0.374SS..Hα-helixtrans-68.2-40.3-179.9-83.6171.6-110.500112.6G64 A146 A147G64-Q143 PolarHBondContact O-NE2 3.23Å; Q143-A146 PolarHBondContact O-N 3.18Å; Q143-A147 WeakPolarHBondContact O-CB 3.34Å; Q143-A147 PolarHBondContact O-N 2.94Å
144I68.8Low68.5Low6 Ų662.7 Ų62.73%0.03135%0.353CS..Hα-helixtrans-71.6-38.4179.2-67.1173.9000111Y73 F136 F140 H141 A147 A148Y73-I144 HydrophobicContact CE1-CG1 4.48Å; Y73-I144 WeakPolarHBondContact OH-CD1 3.25Å; Y73-I144 WeakPolarHBondContact OH-CG2 3.27Å; F136-I144 HydrophobicContact CB-CD1 3.76Å; F136-I144 HydrophobicContact CD1-CD1 3.31Å; F136-I144 HydrophobicContact CD2-CD1 3.37Å; F136-I144 HydrophobicContact CE1-CD1 3.63Å; F136-I144 HydrophobicContact CE2-CD1 3.73Å; F136-I144 HydrophobicContact CG-CD1 3.15Å; F136-I144 HydrophobicContact CZ-CD1 3.83Å; F140-I144 PolarHBondContact O-N 3.32Å; H141-I144 PolarHBondContact O-N 2.98Å; I144-A147 PolarHBondContact O-N 2.83Å; I144-A148 WeakPolarHBondContact O-CB 3.24Å; I144-A148 PolarHBondContact O-N 2.87Å
145G70Confident69.3Low41 Ų4153.6 Ų53.642%0.42332%0.322SS..Hα-helixtrans-61.7-43.5172.100000112.4H141 A148 F149H141-G145 PolarHBondContact O-N 3.06Å; G145-A148 PolarHBondContact O-N 3.32Å; G145-F149 PolarHBondContact O-N 2.62Å
146A76.1Confident70.4Confident31 Ų3153.7 Ų53.726%0.25633%0.326SS..Hα-helixtrans-63.3-44.3174.800000111.8L61 G142 Q143 A148 F149 F150L61-A146 HydrophobicContact CD1-CB 4.2Å; G142-A146 WeakPolarHBondContact O-CB 3.47Å; G142-A146 PolarHBondContact O-N 2.95Å; Q143-A146 PolarHBondContact O-N 3.18Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.43Å; A146-F149 WeakPolarHBondContact O-CB 3.18Å; A146-F149 PolarHBondContact O-N 3.35Å; A146-F150 HydrophobicContact CB-CE2 4.46Å; A146-F150 WeakPolarHBondContact O-CD2 3.18Å; A146-F150 PolarHBondContact O-N 3.35Å
147A75.9Confident71.5Confident2 Ų254.4 Ų54.42%0.01733%0.331CS..Hα-helixtrans-60.3-42.6175.900000111.8H58 I62 Q143 I144 F149 F150 G151H58-A147 PolarHBondContact CD2-O 2.95Å; H58-A147 PolarHBondContact NE2-O 3.17Å; I62-A147 HydrophobicContact CG1-CB 3.93Å; Q143-A147 WeakPolarHBondContact O-CB 3.34Å; Q143-A147 PolarHBondContact O-N 2.94Å; I144-A147 PolarHBondContact O-N 2.83Å; A147-F149 PolarHBondContact O-N 3.43Å; A147-F150 PolarHBondContact O-N 3.16Å; A147-G151 PolarHBondContact O-N 3.33Å
148A76.4Confident72.9Confident17 Ų1747 Ų4714%0.1430%0.296CS..Hα-helixtrans-61.4-43.1174.600000112.2F126 N129 I144 G145 A146 G151 A152F126-A148 HydrophobicContact CD2-CB 4.3Å; F126-A148 WeakPolarHBondContact CD2-O 3.44Å; F126-A148 HydrophobicContact CE2-CB 4.32Å; N129-A148 HydrophobicContact CB-CB 4.02Å; I144-A148 WeakPolarHBondContact O-CB 3.24Å; I144-A148 PolarHBondContact O-N 2.87Å; G145-A148 PolarHBondContact O-N 3.32Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.43Å; A148-G151 PolarHBondContact O-N 2.99Å; A148-A152 PolarHBondContact O-N 2.98Å
149F80.7Confident73.6Confident137 Ų13746 Ų4660%0.60129%0.286SS*.Hα-helixtrans-61-48.6176.5175.1-96.1000112.1G145 A146 A147 G151 A152 A153G145-F149 PolarHBondContact O-N 2.62Å; A146-F149 WeakPolarHBondContact O-CB 3.18Å; A146-F149 PolarHBondContact O-N 3.35Å; A147-F149 PolarHBondContact O-N 3.43Å; F149-G151 VanDerWaalsContact C-N 3.35Å; F149-G151 PolarHBondContact O-N 3.41Å; F149-A152 PolarHBondContact O-N 2.92Å; F149-A153 WeakPolarHBondContact O-CB 3.35Å; F149-A153 PolarHBondContact O-N 2.97Å
150F79Confident74.9Confident42 Ų4242.1 Ų42.118%0.18426%0.261CS..Hα-helixtrans-66.8-35.8178.4-72.9-63.6000112.4L54 L57 H58 L61 A146 A147 A153 L154L54-F150 HydrophobicContact CD2-CD1 3.83Å; L54-F150 HydrophobicContact CD2-CE1 3.95Å; L57-F150 HydrophobicContact CD2-CD1 4.17Å; L57-F150 HydrophobicContact CD2-CD2 4.25Å; L57-F150 HydrophobicContact CD2-CE1 3.58Å; L57-F150 HydrophobicContact CD2-CE2 3.68Å; L57-F150 HydrophobicContact CD2-CG 4.49Å; L57-F150 HydrophobicContact CD2-CZ 3.31Å; L57-F150 HydrophobicContact CG-CD2 4.45Å; L57-F150 HydrophobicContact CG-CE2 4.2Å; L57-F150 HydrophobicContact CG-CZ 4.3Å; H58-F150 HydrophobicContact CB-CB 4.18Å; L61-F150 HydrophobicContact CD1-CD2 3.42Å; L61-F150 VanDerWaalsContact CD1-CD2 3.42Å; L61-F150 HydrophobicContact CD1-CE2 3.65Å; A146-F150 HydrophobicContact CB-CE2 4.46Å; A146-F150 WeakPolarHBondContact O-CD2 3.18Å; A146-F150 PolarHBondContact O-N 3.35Å; A147-F150 PolarHBondContact O-N 3.16Å; F150-A153 PolarHBondContact O-N 2.96Å; F150-L154 WeakPolarHBondContact O-CB 3.27Å; F150-L154 WeakPolarHBondContact O-CG 3.4Å; F150-L154 PolarHBondContact O-N 2.87Å
151G74.4Confident75.9Confident0 Ų038.8 Ų38.80%025%0.248CC..Hα-helixtrans-60.1-45.4171.700000112.2A147 A148 F149 L154 T155A147-G151 PolarHBondContact O-N 3.33Å; A148-G151 PolarHBondContact O-N 2.99Å; F149-G151 VanDerWaalsContact C-N 3.35Å; F149-G151 PolarHBondContact O-N 3.41Å; G151-L154 PolarHBondContact O-N 3.48Å; G151-T155 PolarHBondContact O-N 2.79Å; G151-T155 PolarHBondContact O-OG1 3.48Å; G151-T155 VanDerWaalsContact O-OG1 3.13Å
152A79.4Confident76.8Confident28 Ų2836 Ų3623%0.23124%0.238CC..Hα-helixtrans-65.1-41.3175.500000112.5F126 A148 F149 L154 T155 L156F126-A152 HydrophobicContact CD2-CB 3.91Å; F126-A152 HydrophobicContact CE2-CB 4.01Å; F126-A152 HydrophobicContact CG-CB 4.41Å; A148-A152 PolarHBondContact O-N 2.98Å; F149-A152 PolarHBondContact O-N 2.92Å; A152-L154 VanDerWaalsContact C-N 3.35Å; A152-L154 PolarHBondContact O-N 2.98Å; A152-T155 WeakPolarHBondContact O-CB 3.13Å; A152-T155 PolarHBondContact O-N 3.5Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.93Å
153A81.5Confident77.5Confident29 Ų2939.7 Ų39.724%0.2423%0.234CC..Hα-helixtrans-61.6-42.7175.700000111.6F149 F150 L156 L157F149-A153 WeakPolarHBondContact O-CB 3.35Å; F149-A153 PolarHBondContact O-N 2.97Å; F150-A153 PolarHBondContact O-N 2.96Å; A153-L156 PolarHBondContact O-N 3.45Å; A153-L157 WeakPolarHBondContact O-CB 3.26Å; A153-L157 PolarHBondContact O-N 3.49Å
154L79.1Confident78.1Confident0 Ų039.8 Ų39.80%024%0.236CC..Hα-helixtrans-63.2-43.6174.8-76.3162.8000111.5L54 H58 Y122 F150 G151 A152 L156 L157 Y158L54-L154 HydrophobicContact CB-CD1 4.47Å; L54-L154 HydrophobicContact CB-CD2 3.64Å; L54-L154 HydrophobicContact CB-CG 4.06Å; H58-L154 HydrophobicContact CB-CD1 3.77Å; Y122-L154 HydrophobicContact CD1-CB 3.85Å; Y122-L154 HydrophobicContact CD1-CD1 4.03Å; Y122-L154 HydrophobicContact CD2-CB 4.28Å; Y122-L154 HydrophobicContact CE1-CB 4.01Å; Y122-L154 HydrophobicContact CE1-CD1 3.38Å; Y122-L154 HydrophobicContact CE1-CG 4.26Å; Y122-L154 HydrophobicContact CE2-CB 4.43Å; Y122-L154 HydrophobicContact CG-CB 4.01Å; F150-L154 WeakPolarHBondContact O-CB 3.27Å; F150-L154 WeakPolarHBondContact O-CG 3.4Å; F150-L154 PolarHBondContact O-N 2.87Å; G151-L154 PolarHBondContact O-N 3.48Å; A152-L154 VanDerWaalsContact C-N 3.35Å; A152-L154 PolarHBondContact O-N 2.98Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 3.06Å; L154-Y158 HydrophobicContact CB-CD2 4.33Å; L154-Y158 HydrophobicContact CB-CE2 4.24Å; L154-Y158 HydrophobicContact CD2-CE2 3.92Å; L154-Y158 WeakPolarHBondContact O-CD2 3.38Å; L154-Y158 PolarHBondContact O-N 3.49Å
155T80.5Confident78.4Confident24 Ų2440.1 Ų40.115%0.14724%0.239CC..Hα-helixtrans-55.5-45.4174.1-61.20000112Y122 L123 G151 A152 G159Y122-T155 VanDerWaalsContact C-OG1 3.31Å; Y122-T155 WeakPolarHBondContact CB-OG1 3.25Å; L123-T155 HydrophobicContact CB-CG2 4.12Å; L123-T155 PolarHBondContact N-OG1 3.48Å; G151-T155 PolarHBondContact O-N 2.79Å; G151-T155 PolarHBondContact O-OG1 3.48Å; G151-T155 VanDerWaalsContact O-OG1 3.13Å; A152-T155 WeakPolarHBondContact O-CB 3.13Å; A152-T155 PolarHBondContact O-N 3.5Å; T155-G159 PolarHBondContact O-N 3.25Å
156L82.5Confident78.7Confident131 Ų13142.7 Ų42.769%0.68624%0.237SC*.Hα-helixtrans-67.7-38.8178.3-69174.8000112A152 A153 L154 G159 A160A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.93Å; A153-L156 PolarHBondContact O-N 3.45Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.48Å; L156-G159 PolarHBondContact O-N 2.9Å; L156-A160 WeakPolarHBondContact O-CB 3.35Å; L156-A160 PolarHBondContact O-N 3.08Å
157L81.9Confident78.9Confident36 Ų3644.6 Ų44.619%0.18824%0.242CC..Hα-helixtrans-68-48.6-178.3-162.663.1000111.4L47 A50 E51 L54 A153 L154 G159 A160 G161L47-L157 HydrophobicContact CD2-CD1 3.6Å; L47-L157 HydrophobicContact CD2-CG 4.4Å; A50-L157 HydrophobicContact CB-CD2 4.08Å; E51-L157 HydrophobicContact CB-CD2 4.36Å; E51-L157 HydrophobicContact CG-CB 4.49Å; E51-L157 HydrophobicContact CG-CD2 3.49Å; E51-L157 VanDerWaalsContact CG-CD2 3.49Å; E51-L157 HydrophobicContact CG-CG 3.84Å; L54-L157 HydrophobicContact CD1-CD2 3.71Å; A153-L157 WeakPolarHBondContact O-CB 3.26Å; A153-L157 PolarHBondContact O-N 3.49Å; L154-L157 PolarHBondContact O-N 3.06Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.19Å; L157-A160 PolarHBondContact O-N 3.44Å; L157-G161 PolarHBondContact O-N 2.87Å
158Y80.3Confident79Confident1 Ų148.6 Ų48.60%0.00426%0.263CS..Hα-helixtrans-63.6-37172.8-72.7-64.3000111.6E51 T87 Y114 N115 A118 Y122 L154 G161 A162E51-Y158 HydrophobicContact CB-CE1 4.19Å; E51-Y158 HydrophobicContact CG-CD1 4.26Å; E51-Y158 HydrophobicContact CG-CE1 3.89Å; E51-Y158 WeakPolarHBondContact OE2-CE1 3.41Å; T87-Y158 PolarHBondContact OG1-OH 3.34Å; Y114-Y158 HydrophobicContact CE1-CE1 4.09Å; N115-Y158 WeakPolarHBondContact CB-O 3.26Å; N115-Y158 WeakPolarHBondContact OD1-CD1 3.43Å; A118-Y158 HydrophobicContact CB-CD1 3.75Å; A118-Y158 HydrophobicContact CB-CD2 4.05Å; A118-Y158 HydrophobicContact CB-CE1 4.01Å; A118-Y158 HydrophobicContact CB-CE2 4.33Å; A118-Y158 HydrophobicContact CB-CG 3.77Å; Y122-Y158 AromaticContact CD2-CD2 3.67Å; Y122-Y158 HydrophobicContact CD2-CD2 3.67Å; Y122-Y158 AromaticContact CD2-CE2 3.48Å; Y122-Y158 HydrophobicContact CD2-CE2 3.48Å; Y122-Y158 VanDerWaalsContact CD2-CE2 3.48Å; Y122-Y158 AromaticContact CE2-CD2 3.98Å; Y122-Y158 HydrophobicContact CE2-CD2 3.98Å; Y122-Y158 AromaticContact CE2-CE2 3.27Å; Y122-Y158 HydrophobicContact CE2-CE2 3.27Å; L154-Y158 HydrophobicContact CB-CD2 4.33Å; L154-Y158 HydrophobicContact CB-CE2 4.24Å; L154-Y158 HydrophobicContact CD2-CE2 3.92Å; L154-Y158 WeakPolarHBondContact O-CD2 3.38Å; L154-Y158 PolarHBondContact O-N 3.49Å; Y158-G161 PolarHBondContact O-N 2.97Å; Y158-A162 WeakPolarHBondContact O-CB 3.47Å; Y158-A162 PolarHBondContact O-N 3.31Å
159G77.1Confident79Confident31 Ų3152.8 Ų52.832%0.3228%0.276SS..Hα-helixtrans-61.6-43.4173.800000112.8T155 L156 L157 A162 Y163T155-G159 PolarHBondContact O-N 3.25Å; L156-G159 PolarHBondContact O-N 2.9Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.19Å; G159-A162 PolarHBondContact O-N 3.47Å; G159-Y163 PolarHBondContact O-N 2.78Å
160A81.3Confident78.8Confident44 Ų4453.5 Ų53.536%0.36427%0.274SS..Hα-helixtrans-65.3-41.6174.200000111.4L156 L157 A162 Y163 L164L156-A160 WeakPolarHBondContact O-CB 3.35Å; L156-A160 PolarHBondContact O-N 3.08Å; L157-A160 PolarHBondContact O-N 3.44Å; A160-A162 PolarHBondContact O-N 2.98Å; A160-Y163 PolarHBondContact O-N 3.07Å; A160-L164 WeakPolarHBondContact O-CG 3.33Å; A160-L164 PolarHBondContact O-N 2.77Å
161G78.8Confident78.6Confident5 Ų553.8 Ų53.85%0.05229%0.285CS..Hα-helixtrans-58.3-44.7173.500000112.4L157 Y158 S165L157-G161 PolarHBondContact O-N 2.87Å; Y158-G161 PolarHBondContact O-N 2.97Å; G161-S165 PolarHBondContact O-N 2.7Å; G161-S165 PolarHBondContact O-OG 3.4Å; G161-S165 VanDerWaalsContact O-OG 3.04Å
162A78.3Confident78.3Confident19 Ų1958.6 Ų58.616%0.15731%0.31CS..Hα-helixtrans-63.1-41.417500000112N115 Y158 G159 A160 S165 Y166N115-A162 HydrophobicContact CB-CB 3.78Å; Y158-A162 WeakPolarHBondContact O-CB 3.47Å; Y158-A162 PolarHBondContact O-N 3.31Å; G159-A162 PolarHBondContact O-N 3.47Å; A160-A162 PolarHBondContact O-N 2.98Å; A162-S165 PolarHBondContact O-N 3.13Å; A162-Y166 WeakPolarHBondContact O-CB 3.36Å; A162-Y166 PolarHBondContact O-N 3.49Å
163Y77.8Confident77.3Confident141 Ų14159.6 Ų59.655%0.55332%0.323SS*.Hα-helixtrans-66.2-43.8178.7-177.5-107.6000112.5G159 A160 Y166 L167G159-Y163 PolarHBondContact O-N 2.78Å; A160-Y163 PolarHBondContact O-N 3.07Å; Y163-Y166 WeakPolarHBondContact O-CB 3.48Å; Y163-Y166 PolarHBondContact O-N 2.7Å; Y163-L167 HydrophobicContact CD1-CD1 4.11Å; Y163-L167 HydrophobicContact CD1-CG 4.47Å; Y163-L167 HydrophobicContact CE1-CD1 3.61Å; Y163-L167 HydrophobicContact CE1-CG 4.11Å; Y163-L167 WeakPolarHBondContact O-CG 3.5Å; Y163-L167 PolarHBondContact O-N 3.16Å
164L80.6Confident76Confident70 Ų7060.8 Ų60.837%0.36634%0.338SS..Hα-helixtrans-62.8-45.3175.6-68.9174.1000111.1V43 L47 A160 Y166 L167 D168V43-L164 HydrophobicContact CG1-CD1 4.46Å; L47-L164 HydrophobicContact CD1-CD1 3.65Å; A160-L164 WeakPolarHBondContact O-CG 3.33Å; A160-L164 PolarHBondContact O-N 2.77Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.11Å; L164-L167 WeakPolarHBondContact O-CB 3.47Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.12Å; L164-D168 PolarHBondContact O-N 3.48Å
165S76Confident74.8Confident14 Ų1466 Ų6610%0.09837%0.366CS..Hα-helixtrans-62.5-32.5174.7-59.10000113T108 G161 A162 W169T108-S165 WeakPolarHBondContact CG2-O 3.48Å; G161-S165 PolarHBondContact O-N 2.7Å; G161-S165 PolarHBondContact O-OG 3.4Å; G161-S165 VanDerWaalsContact O-OG 3.04Å; A162-S165 PolarHBondContact O-N 3.13Å; S165-W169 WeakPolarHBondContact O-CB 3.48Å; S165-W169 PolarHBondContact O-N 3.38Å
166Y75.2Confident73.3Confident95 Ų9568 Ų6837%0.37339%0.385SS..Hα-helixtrans-68.1-39.3173.4175.2-98.8000112.3M112 A162 Y163 L164 W169 R170M112-Y166 HydrophobicContact SD-CD2 4.15Å; A162-Y166 WeakPolarHBondContact O-CB 3.36Å; A162-Y166 PolarHBondContact O-N 3.49Å; Y163-Y166 WeakPolarHBondContact O-CB 3.48Å; Y163-Y166 PolarHBondContact O-N 2.7Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.11Å; Y166-W169 AromaticContact CD2-CE3 3.92Å; Y166-W169 HydrophobicContact CD2-CE3 3.92Å; Y166-W169 HydrophobicContact CD2-CZ3 4.26Å; Y166-W169 AromaticContact CE2-CE3 3.83Å; Y166-W169 HydrophobicContact CE2-CE3 3.83Å; Y166-W169 AromaticContact CE2-CZ3 3.72Å; Y166-W169 HydrophobicContact CE2-CZ3 3.72Å; Y166-W169 PolarHBondContact O-N 3.26Å; Y166-R170 HydrophobicContact CD1-CG 4.19Å; Y166-R170 HydrophobicContact CE1-CG 3.71Å; Y166-R170 HydrophobicContact CE2-CG 4.07Å; Y166-R170 WeakPolarHBondContact O-CB 3.27Å; Y166-R170 VanDerWaalsContact O-CG 3.3Å; Y166-R170 WeakPolarHBondContact O-CG 3.49Å; Y166-R170 PolarHBondContact O-N 3.42Å
167L79.9Confident71.7Confident71 Ų7166 Ų6637%0.37239%0.387SS..Hα-helixtrans-63.6-43.3174.1-70.4179.5000111.5Y163 L164 R170 A171Y163-L167 HydrophobicContact CD1-CD1 4.11Å; Y163-L167 HydrophobicContact CD1-CG 4.47Å; Y163-L167 HydrophobicContact CE1-CD1 3.61Å; Y163-L167 HydrophobicContact CE1-CG 4.11Å; Y163-L167 WeakPolarHBondContact O-CG 3.5Å; Y163-L167 PolarHBondContact O-N 3.16Å; L164-L167 WeakPolarHBondContact O-CB 3.47Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L167 VanDerWaalsContact O-N 3.12Å; L167-R170 PolarHBondContact O-N 2.98Å; L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 3.35Å
168D78.3Confident70Confident85 Ų8569.5 Ų69.546%0.45541%0.41SS..Hα-helixtrans-61.9-47.1175.6-69.2-20.7000110.9T108 L164 R170 A171 D172T108-D168 HydrophobicContact CG2-CB 4.19Å; L164-D168 PolarHBondContact O-N 3.48Å; D168-R170 VanDerWaalsContact C-N 3.31Å; D168-R170 PolarHBondContact O-N 3.19Å; D168-A171 WeakPolarHBondContact O-CB 3.11Å; D168-A171 PolarHBondContact O-N 2.95Å; D168-A171 VanDerWaalsContact O-N 3.15Å; D168-D172 PolarHBondContact O-N 2.89Å
169W76.3Confident68.4Low106 Ų10674.4 Ų74.440%0.40245%0.445SS..Hα-helixtrans-60.2-39175.3173.971.8000112.9T108 S165 Y166 D172 G173T108-W169 HydrophobicContact CG2-CB 4.14Å; S165-W169 WeakPolarHBondContact O-CB 3.48Å; S165-W169 PolarHBondContact O-N 3.38Å; Y166-W169 AromaticContact CD2-CE3 3.92Å; Y166-W169 HydrophobicContact CD2-CE3 3.92Å; Y166-W169 HydrophobicContact CD2-CZ3 4.26Å; Y166-W169 AromaticContact CE2-CE3 3.83Å; Y166-W169 HydrophobicContact CE2-CE3 3.83Å; Y166-W169 AromaticContact CE2-CZ3 3.72Å; Y166-W169 HydrophobicContact CE2-CZ3 3.72Å; Y166-W169 PolarHBondContact O-N 3.26Å; W169-D172 PolarHBondContact O-N 3.27Å; W169-G173 PolarHBondContact O-N 3.24Å
170R77.5Confident67.1Low152 Ų15278.8 Ų78.857%0.57447%0.466SS*.Hα-helixtrans-67.6-37.3175.1-81.5-96.9-64.3-162.81.3112.3Y166 L167 D168 G174Y166-R170 HydrophobicContact CD1-CG 4.19Å; Y166-R170 HydrophobicContact CE1-CG 3.71Å; Y166-R170 HydrophobicContact CE2-CG 4.07Å; Y166-R170 WeakPolarHBondContact O-CB 3.27Å; Y166-R170 VanDerWaalsContact O-CG 3.3Å; Y166-R170 WeakPolarHBondContact O-CG 3.49Å; Y166-R170 PolarHBondContact O-N 3.42Å; L167-R170 PolarHBondContact O-N 2.98Å; D168-R170 VanDerWaalsContact C-N 3.31Å; D168-R170 PolarHBondContact O-N 3.19Å; R170-G174 PolarHBondContact O-N 3.03Å
171A74.2Confident65.3Low48 Ų4882 Ų8240%0.39748%0.481SS..Hα-helixtrans-66.7-42.1175.900000110.8L167 D168 N175L167-A171 WeakPolarHBondContact O-CB 3.45Å; L167-A171 PolarHBondContact O-N 3.35Å; D168-A171 WeakPolarHBondContact O-CB 3.11Å; D168-A171 PolarHBondContact O-N 2.95Å; D168-A171 VanDerWaalsContact O-N 3.15Å; A171-N175 WeakPolarHBondContact O-CB 3.47Å; A171-N175 VanDerWaalsContact O-CG 3.25Å; A171-N175 PolarHBondContact O-N 3.4Å; A171-N175 PolarHBondContact O-ND2 2.96Å
172D68.3Low63.7Low100 Ų10087.7 Ų87.754%0.53552%0.516SS..Hα-helixtrans-71.2-41.2177.1-66.3-21.4000111.8D168 W169 A176D168-D172 PolarHBondContact O-N 2.89Å; W169-D172 PolarHBondContact O-N 3.27Å; D172-A176 PolarHBondContact O-N 3.13Å; D172-A176 VanDerWaalsContact O-N 3.1Å
173G58.9Low62.3Low49 Ų4996.4 Ų96.451%0.50557%0.568SS.*Hα-helixtrans-77.5-21.5179.900000115W169W169-G173 PolarHBondContact O-N 3.24Å
174G52.8Low61.5Low54 Ų5494.2 Ų94.256%0.55757%0.569SS**Hα-helixtrans-81.5-22.8172.400000113.6R170R170-G174 PolarHBondContact O-N 3.03Å
175N54.1Low60.5Low111 Ų11195.5 Ų95.559%0.59458%0.579SS**Hα-helixtrans-104.4-5.2-179.1-63.3-28.3000113.4A171 A177 T178A171-N175 WeakPolarHBondContact O-CB 3.47Å; A171-N175 VanDerWaalsContact O-CG 3.25Å; A171-N175 PolarHBondContact O-N 3.4Å; A171-N175 PolarHBondContact O-ND2 2.96Å; N175-A177 PolarHBondContact O-N 3.11Å; N175-T178 PolarHBondContact O-N 3.03Å; N175-T178 VanDerWaalsContact O-N 3.11Å; N175-T178 PolarHBondContact O-OG1 3.06Å
176A50.2Low59.6Low65 Ų65100 Ų10054%0.53761%0.606SS.*THydrogen-bonded Turntrans-63.2-10.4176.200000114.3D172 T178D172-A176 PolarHBondContact O-N 3.13Å; D172-A176 VanDerWaalsContact O-N 3.1Å; A176-T178 VanDerWaalsContact C-N 3.31Å
177A47.3Very low58.7Low88 Ų88100.3 Ų100.373%0.72762%0.62SS**THydrogen-bonded Turntrans-81.2-2.6173.400000114.1N175N175-A177 PolarHBondContact O-N 3.11Å
178T47.8Very low57.4Low111 Ų111102.1 Ų102.168%0.68164%0.635SS**SBendtrans-115.8-0.9-172.2-24.30000115.2N175 A176N175-T178 PolarHBondContact O-N 3.03Å; N175-T178 VanDerWaalsContact O-N 3.11Å; N175-T178 PolarHBondContact O-OG1 3.06Å; A176-T178 VanDerWaalsContact C-N 3.31Å
179S46Very low56Low104 Ų104103.3 Ų103.373%0.72765%0.648SS**THydrogen-bonded Turntrans-97.616.2-178.766.80000115.4
180T50Low54.5Low123 Ų123103.1 Ų103.176%0.75567%0.665SS**THydrogen-bonded Turntrans-101.914.4175.952.90000114.7P182T180-P182 WeakPolarHBondContact O-CD 3.43Å
181V43.9Very low52.8Low112 Ų11299.3 Ų99.368%0.67967%0.672SS**  trans-106.7103.9170.5-169.50000109.7T183V181-T183 HydrophobicContact CG1-CG2 4.37Å
182P45.1Very low51Low124 Ų124103.6 Ų103.681%0.80570%0.695SS**  trans-70.9125.7161.96.19.3000108.2T180T180-P182 WeakPolarHBondContact O-CD 3.43Å
183T47.6Very low49.4Very low202 Ų202103.9 Ų103.9100%1.23971%0.71SS**  trans-112.1016054.50000109.1V181V181-T183 HydrophobicContact CG1-CG2 4.37Å

Retrieved 183 of 183 residues in 104.6 ms (Link to these results)