A0A060WEX8_ONCMY Loading...

Cytochrome c oxidase assembly factor 3

Core component of the MITRAC (mitochondrial translation regulation assembly intermediate of cytochrome c oxidase complex) complex, that regulates cytochrome c oxidase assembly. MITRAC complexes regulate both translation of mitochondrial encoded components and assembly of nuclear-encoded components imported in mitochondrion. Required for efficient translation of MT-CO1 and mitochondrial respiratory chain complex IV assembly. Required for assembly of cytochrome c oxidase (complex IV).

AlphaFold DB , UniProt , Accession A0A060WEX8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 100 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
1M45.3Very low50.7Low245 Ų245147.4 Ų147.4100%1.20780%0.802SS**  0110.70-75.9128.2166.300107.1
2A49.8Very low51.4Low78 Ų78141.5 Ų141.565%0.64577%0.774SS**  trans-80.2171.7173.200000110
3D46.9Very low52.1Low153 Ų153138.8 Ų138.882%0.81877%0.767SS**  trans83.3127.9159.7-44.3-45.9000115.3
4Q48.8Very low52.5Low177 Ų177141.1 Ų141.183%0.82777%0.766SS**  cis-160.4119.316.2-157.1162.316.300107.4
5K50.1Low53.2Low193 Ų193137.7 Ų137.784%0.83977%0.765SS**  trans-71.9133.7164.4-99.4177.9177.7173.50106.9T7K5-T7 PolarHBondContact O-N 3.14Å
6P50.3Low54Low115 Ų115137.6 Ų137.675%0.74775%0.754SS**  trans-60.9115.9176.625.1-30.7000107.9V8P6-V8 PolarHBondContact O-N 3.01Å
7T48.5Very low54.3Low121 Ų121143.9 Ų143.974%0.74276%0.764SS**  trans-65.3101.2170.343.30000106.8K5 D9K5-T7 PolarHBondContact O-N 3.14Å; T7-D9 PolarHBondContact O-N 2.73Å
8V55Low54.8Low120 Ų120139.8 Ų139.873%0.72774%0.742SS**  trans-73.6104.7168.5179.80000105.5P6 P10P6-V8 PolarHBondContact O-N 3.01Å; V8-P10 WeakPolarHBondContact O-CD 3.46Å
9D56.7Low55.2Low115 Ų115135.7 Ų135.762%0.61572%0.72SS**  trans-53.3122.1173-65.4-47.3000109T7 E11T7-D9 PolarHBondContact O-N 2.73Å; D9-E11 PolarHBondContact O-N 3.03Å; D9-E11 VanDerWaalsContact O-N 3.14Å
10P55.3Low55.6Low126 Ų126132.8 Ų132.882%0.81871%0.709SS**THydrogen-bonded Turntrans-75.62.8-172.828.1-33000114V8V8-P10 WeakPolarHBondContact O-CD 3.46Å
11E51Low56Low178 Ų178133.7 Ų133.783%0.83271%0.714SS**THydrogen-bonded Turntrans-106.64.4-169.2-68.2-165.1159.500115.7D9 P13D9-E11 PolarHBondContact O-N 3.03Å; D9-E11 VanDerWaalsContact O-N 3.14Å; E11-P13 WeakPolarHBondContact O-CD 3.3Å
12V58.7Low56.7Low77 Ų77129.9 Ų129.947%0.46769%0.691SS.*  trans-95.9104.3169.3-127.10000108.3F14V12-F14 HydrophobicContact CB-CD2 3.67Å; V12-F14 HydrophobicContact CB-CE1 4.25Å; V12-F14 HydrophobicContact CB-CE2 3.31Å; V12-F14 HydrophobicContact CB-CG 4.29Å; V12-F14 HydrophobicContact CB-CZ 3.62Å; V12-F14 HydrophobicContact CG1-CE1 4.16Å; V12-F14 HydrophobicContact CG1-CE2 4.07Å; V12-F14 HydrophobicContact CG1-CZ 3.83Å; V12-F14 HydrophobicContact CG2-CD2 4.11Å; V12-F14 HydrophobicContact CG2-CE2 3.33Å; V12-F14 HydrophobicContact CG2-CZ 3.72Å; V12-F14 VanDerWaalsContact O-CD2 3.3Å; V12-F14 WeakPolarHBondContact O-CD2 3.11Å; V12-F14 PolarHBondContact O-N 2.75Å
13P61Low57.4Low106 Ų106129.6 Ų129.669%0.68868%0.676SS**  trans-70.879.5175.828.8-33.9000109E11 A15E11-P13 WeakPolarHBondContact O-CD 3.3Å; P13-A15 PolarHBondContact O-N 3.2Å
14F57.9Low58.2Low171 Ų171130.6 Ų130.675%0.7568%0.681SS**THydrogen-bonded Turntrans-66.2-0.2-171.3-84.3-66.7000115.3V12V12-F14 HydrophobicContact CB-CD2 3.67Å; V12-F14 HydrophobicContact CB-CE1 4.25Å; V12-F14 HydrophobicContact CB-CE2 3.31Å; V12-F14 HydrophobicContact CB-CG 4.29Å; V12-F14 HydrophobicContact CB-CZ 3.62Å; V12-F14 HydrophobicContact CG1-CE1 4.16Å; V12-F14 HydrophobicContact CG1-CE2 4.07Å; V12-F14 HydrophobicContact CG1-CZ 3.83Å; V12-F14 HydrophobicContact CG2-CD2 4.11Å; V12-F14 HydrophobicContact CG2-CE2 3.33Å; V12-F14 HydrophobicContact CG2-CZ 3.72Å; V12-F14 VanDerWaalsContact O-CD2 3.3Å; V12-F14 WeakPolarHBondContact O-CD2 3.11Å; V12-F14 PolarHBondContact O-N 2.75Å
15A62.8Low59Low91 Ų91124 Ų12475%0.75265%0.652SS**THydrogen-bonded Turntrans-163.568.1170.200000111.5P13 R17P13-A15 PolarHBondContact O-N 3.2Å; A15-R17 PolarHBondContact O-N 3.35Å
16K65.1Low60.3Low136 Ų136118.9 Ų118.959%0.59164%0.637SS**  trans-68.9121.9160-160.6179.5-175.9-1520107.1I18 E23K16-I18 VanDerWaalsContact C-N 3.32Å; K16-I18 PolarHBondContact O-N 3Å; K16-E23 WeakPolarHBondContact CE-OE1 3.5Å; K16-E23 IonicContact NZ-OE1 2.73Å; K16-E23 PolarHBondContact NZ-OE1 2.92Å
17R60.5Low61.6Low244 Ų244122.5 Ų122.592%0.92164%0.635SS**  trans-67.895.9170-82.1-174.9174.8-132.22.2107.4A15 D19A15-R17 PolarHBondContact O-N 3.35Å; R17-D19 PolarHBondContact O-N 3.49Å
18I63.1Low63Low71 Ų71122.9 Ų122.936%0.36463%0.633SS.*  trans-69.6126.1176.2-61.7175.9000107.8K16 P20 L25 I33K16-I18 VanDerWaalsContact C-N 3.32Å; K16-I18 PolarHBondContact O-N 3Å; I18-P20 WeakPolarHBondContact O-CD 3.35Å; I18-L25 HydrophobicContact CG2-CD1 3.71Å; I18-L25 HydrophobicContact CG2-CD2 4.08Å; I18-L25 HydrophobicContact CG2-CG 4.18Å; I18-I33 HydrophobicContact CD1-CD1 4.38Å
19D61.3Low64.2Low62 Ų62121.5 Ų121.533%0.33262%0.619SS.*  trans-98.999.8173.3-162.2-15.9000107.2R17 N21 K22 E23R17-D19 PolarHBondContact O-N 3.49Å; D19-N21 PolarHBondContact O-N 2.75Å; D19-K22 HydrophobicContact CB-CB 4.27Å; D19-K22 HydrophobicContact CB-CD 4.31Å; D19-K22 HydrophobicContact CB-CG 4.4Å; D19-K22 PolarHBondContact O-N 2.93Å; D19-K22 VanDerWaalsContact OD2-CD 3.28Å; D19-K22 WeakPolarHBondContact OD2-CD 3.21Å; D19-K22 WeakPolarHBondContact OD2-CE 3.28Å; D19-K22 IonicContact OD2-NZ 2.75Å; D19-K22 PolarHBondContact OD2-NZ 2.65Å; D19-E23 PolarHBondContact O-N 2.86Å
20P63.1Low65.4Low77 Ų77121.4 Ų121.450%0.561%0.613SS.*THydrogen-bonded Turntrans-64.8-7.8-167.123.4-32.9000114.5I18I18-P20 WeakPolarHBondContact O-CD 3.35Å
21N64.9Low66.7Low152 Ų152121 Ų12181%0.81360%0.596SS**THydrogen-bonded Turntrans-98.8-5175.8-61.6-56.6000113.7D19D19-N21 PolarHBondContact O-N 2.75Å
22K60.9Low68.4Low165 Ų165119.3 Ų119.372%0.71759%0.586SS**THydrogen-bonded Turntrans-123.7-18.1-172.7-61.8-176.1-173.7146.90114.3D19D19-K22 HydrophobicContact CB-CB 4.27Å; D19-K22 HydrophobicContact CB-CD 4.31Å; D19-K22 HydrophobicContact CB-CG 4.4Å; D19-K22 PolarHBondContact O-N 2.93Å; D19-K22 VanDerWaalsContact OD2-CD 3.28Å; D19-K22 WeakPolarHBondContact OD2-CD 3.21Å; D19-K22 WeakPolarHBondContact OD2-CE 3.28Å; D19-K22 IonicContact OD2-NZ 2.75Å; D19-K22 PolarHBondContact OD2-NZ 2.65Å
23E63.2Low69.7Low72 Ų72118 Ų11834%0.33658%0.576SS.*SBendtrans-109.7139.7178.6-63.4-172.6153.500110K16 D19 L25K16-E23 WeakPolarHBondContact CE-OE1 3.5Å; K16-E23 IonicContact NZ-OE1 2.73Å; K16-E23 PolarHBondContact NZ-OE1 2.92Å; D19-E23 PolarHBondContact O-N 2.86Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 HydrophobicContact CB-CD1 4.11Å; E23-L25 WeakPolarHBondContact O-CD1 3.24Å; E23-L25 PolarHBondContact O-N 2.93Å
24D63.1Low70.8Confident174 Ų174120 Ų12093%0.9357%0.57SS**  trans-7487.3171.3-107.7-22.1000108.3
25L67.6Low72.2Confident39 Ų39118.5 Ų118.520%0.20457%0.565CS.*  trans-72136.3176-8387.4000110.7I18 E23 E29 I33I18-L25 HydrophobicContact CG2-CD1 3.71Å; I18-L25 HydrophobicContact CG2-CD2 4.08Å; I18-L25 HydrophobicContact CG2-CG 4.18Å; E23-L25 VanDerWaalsContact C-N 3.33Å; E23-L25 HydrophobicContact CB-CD1 4.11Å; E23-L25 WeakPolarHBondContact O-CD1 3.24Å; E23-L25 PolarHBondContact O-N 2.93Å; L25-E29 HydrophobicContact CD2-CB 4.12Å; L25-I33 HydrophobicContact CD2-CD1 3.29Å
26T77.3Confident73.4Confident85 Ų85116.8 Ų116.852%0.52155%0.545SS..  trans-66150.4166.749.40000110.6D28 E29 F30T26-D28 PolarHBondContact O-N 2.94Å; T26-D28 VanDerWaalsContact O-N 3.13Å; T26-E29 PolarHBondContact N-OE2 3.13Å; T26-E29 WeakPolarHBondContact O-CB 3.3Å; T26-E29 PolarHBondContact O-N 3.47Å; T26-E29 VanDerWaalsContact OG1-CG 3.24Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-OE2 3.3Å; T26-F30 PolarHBondContact O-N 3.05Å; T26-F30 VanDerWaalsContact O-N 3.13Å
27R76.3Confident74.5Confident190 Ų190116 Ų11672%0.71754%0.544SS*.Hα-helixtrans-55.3-36-174.8-164.4175.9-176.1-176.5-0112.3F30 Y31R27-F30 PolarHBondContact O-N 2.95Å; R27-Y31 HydrophobicContact CG-CD2 4.16Å; R27-Y31 HydrophobicContact CG-CE2 3.86Å; R27-Y31 WeakPolarHBondContact O-CD2 3.34Å; R27-Y31 PolarHBondContact O-N 3.33Å; R27-Y31 VanDerWaalsContact O-N 3.14Å
28D79.4Confident75.8Confident129 Ų129109.2 Ų109.269%0.6953%0.525SS*.Hα-helixtrans-71.4-37.9179.7-64.1-18.5000112.3T26 F30 Y31 F32T26-D28 PolarHBondContact O-N 2.94Å; T26-D28 VanDerWaalsContact O-N 3.13Å; D28-F30 VanDerWaalsContact C-N 3.32Å; D28-F30 PolarHBondContact O-N 3.31Å; D28-Y31 PolarHBondContact O-N 3.5Å; D28-F32 PolarHBondContact O-N 2.92Å
29E78.6Confident77Confident92 Ų92108.8 Ų108.843%0.4353%0.532SS..Hα-helixtrans-63-40.5173.7-67.8170.1136.800111.1L25 T26 F32 I33L25-E29 HydrophobicContact CD2-CB 4.12Å; T26-E29 PolarHBondContact N-OE2 3.13Å; T26-E29 WeakPolarHBondContact O-CB 3.3Å; T26-E29 PolarHBondContact O-N 3.47Å; T26-E29 VanDerWaalsContact OG1-CG 3.24Å; T26-E29 WeakPolarHBondContact OG1-CG 3.45Å; T26-E29 PolarHBondContact OG1-OE2 3.3Å; E29-F32 PolarHBondContact O-N 3.45Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 2.89Å
30F82Confident78.3Confident113 Ų113111.9 Ų111.950%0.49654%0.544SS..Hα-helixtrans-62.8-44.1175.5-170.8-90.6000112.3T26 R27 D28 F32 I33 R34T26-F30 PolarHBondContact O-N 3.05Å; T26-F30 VanDerWaalsContact O-N 3.13Å; R27-F30 PolarHBondContact O-N 2.95Å; D28-F30 VanDerWaalsContact C-N 3.32Å; D28-F30 PolarHBondContact O-N 3.31Å; F30-F32 VanDerWaalsContact C-N 3.33Å; F30-F32 PolarHBondContact O-N 3.13Å; F30-I33 PolarHBondContact O-N 2.87Å; F30-R34 WeakPolarHBondContact O-CB 3.35Å; F30-R34 PolarHBondContact O-N 3.26Å
31Y83.9Confident79.5Confident118 Ų118117 Ų11746%0.46355%0.554SS.*Hα-helixtrans-62.6-40.4175.5-85.2-71.4000111.9R27 D28 Q35R27-Y31 HydrophobicContact CG-CD2 4.16Å; R27-Y31 HydrophobicContact CG-CE2 3.86Å; R27-Y31 WeakPolarHBondContact O-CD2 3.34Å; R27-Y31 PolarHBondContact O-N 3.33Å; R27-Y31 VanDerWaalsContact O-N 3.14Å; D28-Y31 PolarHBondContact O-N 3.5Å; Y31-Q35 WeakPolarHBondContact O-CG 3.13Å; Y31-Q35 PolarHBondContact O-N 3.47Å; Y31-Q35 VanDerWaalsContact O-N 3.08Å
32F86.4Confident80.6Confident142 Ų142116.1 Ų116.162%0.62354%0.543SS*.Hα-helixtrans-64.7-49.3177.6-178.9-101.1000111.9D28 E29 F30 R34 Q35 V36D28-F32 PolarHBondContact O-N 2.92Å; E29-F32 PolarHBondContact O-N 3.45Å; F30-F32 VanDerWaalsContact C-N 3.33Å; F30-F32 PolarHBondContact O-N 3.13Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.14Å; F32-Q35 PolarHBondContact O-N 3.19Å; F32-Q35 VanDerWaalsContact O-N 3.14Å; F32-V36 HydrophobicContact CD1-CG2 4.23Å; F32-V36 HydrophobicContact CE1-CG2 3.82Å; F32-V36 HydrophobicContact CE2-CG2 4.16Å; F32-V36 HydrophobicContact CZ-CG2 3.78Å; F32-V36 WeakPolarHBondContact O-CG2 3.43Å; F32-V36 PolarHBondContact O-N 3.37Å
33I85.4Confident81.9Confident49 Ų49115.4 Ų115.425%0.25154%0.54SS..Hα-helixtrans-57.2-46177.8-70.5167.2000110.5I18 L25 E29 F30 Q35 V36 E37I18-I33 HydrophobicContact CD1-CD1 4.38Å; L25-I33 HydrophobicContact CD2-CD1 3.29Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 2.89Å; F30-I33 PolarHBondContact O-N 2.87Å; I33-Q35 VanDerWaalsContact C-N 3.32Å; I33-Q35 PolarHBondContact O-N 2.98Å; I33-V36 PolarHBondContact O-N 3.14Å; I33-E37 HydrophobicContact CG2-CG 4.47Å; I33-E37 PolarHBondContact O-N 3.03Å
34R84.9Confident83Confident148 Ų148118.7 Ų118.756%0.55855%0.553SS**Hα-helixtrans-60.9-40.1178.7-170.6175.9-176.3-179.32.3112.5F30 F32 L38F30-R34 WeakPolarHBondContact O-CB 3.35Å; F30-R34 PolarHBondContact O-N 3.26Å; F32-R34 VanDerWaalsContact C-N 3.3Å; F32-R34 PolarHBondContact O-N 3.14Å; R34-L38 HydrophobicContact CG-CD1 4.47Å; R34-L38 VanDerWaalsContact O-CG 3.29Å; R34-L38 WeakPolarHBondContact O-CG 3.44Å; R34-L38 PolarHBondContact O-N 2.9Å; R34-L38 VanDerWaalsContact O-N 3.13Å
35Q86.9Confident84.2Confident139 Ų139112.1 Ų112.165%0.6552%0.52SS*.Hα-helixtrans-66.6-42176.3-76.4-16465.200112.1Y31 F32 I33 L38 A39Y31-Q35 WeakPolarHBondContact O-CG 3.13Å; Y31-Q35 PolarHBondContact O-N 3.47Å; Y31-Q35 VanDerWaalsContact O-N 3.08Å; F32-Q35 PolarHBondContact O-N 3.19Å; F32-Q35 VanDerWaalsContact O-N 3.14Å; I33-Q35 VanDerWaalsContact C-N 3.32Å; I33-Q35 PolarHBondContact O-N 2.98Å; Q35-L38 PolarHBondContact O-N 3.4Å; Q35-A39 WeakPolarHBondContact O-CB 3.39Å; Q35-A39 PolarHBondContact O-N 3.38Å
36V88.1Confident85.1Confident55 Ų55116 Ų11633%0.33354%0.538SS..Hα-helixtrans-64.8-43.5178.2174.50000111F32 I33 L38 A39 Q40F32-V36 HydrophobicContact CD1-CG2 4.23Å; F32-V36 HydrophobicContact CE1-CG2 3.82Å; F32-V36 HydrophobicContact CE2-CG2 4.16Å; F32-V36 HydrophobicContact CZ-CG2 3.78Å; F32-V36 WeakPolarHBondContact O-CG2 3.43Å; F32-V36 PolarHBondContact O-N 3.37Å; I33-V36 PolarHBondContact O-N 3.14Å; V36-L38 PolarHBondContact O-N 3.08Å; V36-A39 PolarHBondContact O-N 3.35Å; V36-Q40 HydrophobicContact CG1-CG 4.34Å; V36-Q40 WeakPolarHBondContact O-CB 3.35Å; V36-Q40 WeakPolarHBondContact O-CG 3.45Å; V36-Q40 PolarHBondContact O-N 3.48Å
37E87.4Confident85.6Confident121 Ų121117.7 Ų117.757%0.56554%0.539SS*.Hα-helixtrans-59.7-45.4175.8-79.2-171.6160.200112.1I33 A39 Q40 W41I33-E37 HydrophobicContact CG2-CG 4.47Å; I33-E37 PolarHBondContact O-N 3.03Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.45Å; E37-Q40 PolarHBondContact O-N 3.45Å; E37-W41 VanDerWaalsContact O-CB 3.28Å; E37-W41 WeakPolarHBondContact O-CB 3.29Å; E37-W41 PolarHBondContact O-N 3.33Å
38L88.9Confident86.2Confident101 Ų101112.6 Ų112.653%0.52953%0.526SS..Hα-helixtrans-62.4-42177.2-73.2172.3000111.7R34 Q35 V36 W41 K42R34-L38 HydrophobicContact CG-CD1 4.47Å; R34-L38 VanDerWaalsContact O-CG 3.29Å; R34-L38 WeakPolarHBondContact O-CG 3.44Å; R34-L38 PolarHBondContact O-N 2.9Å; R34-L38 VanDerWaalsContact O-N 3.13Å; Q35-L38 PolarHBondContact O-N 3.4Å; V36-L38 PolarHBondContact O-N 3.08Å; L38-W41 PolarHBondContact O-N 2.96Å; L38-K42 VanDerWaalsContact O-CB 3.32Å; L38-K42 WeakPolarHBondContact O-CB 3.37Å; L38-K42 PolarHBondContact O-N 3.46Å
39A87.7Confident86.8Confident62 Ų62114.5 Ų114.551%0.51252%0.524SS..Hα-helixtrans-64.6-43.917700000111.7Q35 V36 E37 K42 K43Q35-A39 WeakPolarHBondContact O-CB 3.39Å; Q35-A39 PolarHBondContact O-N 3.38Å; V36-A39 PolarHBondContact O-N 3.35Å; E37-A39 VanDerWaalsContact C-N 3.34Å; E37-A39 PolarHBondContact O-N 3.45Å; A39-K42 PolarHBondContact O-N 2.99Å; A39-K43 WeakPolarHBondContact O-CB 3.23Å; A39-K43 PolarHBondContact O-N 2.91Å
40Q88.2Confident87.5Confident127 Ų127112.1 Ų112.159%0.59352%0.524SS*.Hα-helixtrans-63.9-43.4175.9-75.3-176.1-33.600111.8V36 E37 K43 K44V36-Q40 HydrophobicContact CG1-CG 4.34Å; V36-Q40 WeakPolarHBondContact O-CB 3.35Å; V36-Q40 WeakPolarHBondContact O-CG 3.45Å; V36-Q40 PolarHBondContact O-N 3.48Å; E37-Q40 PolarHBondContact O-N 3.45Å; Q40-K43 PolarHBondContact O-N 2.81Å; Q40-K44 WeakPolarHBondContact O-CB 3.3Å; Q40-K44 PolarHBondContact O-N 3.4Å
41W87.7Confident88Confident185 Ų185114.4 Ų114.470%0.70153%0.529SS*.Hα-helixtrans-63.1-44.9177.7-175.668.3000111.5E37 L38 K43 K44 S45E37-W41 VanDerWaalsContact O-CB 3.28Å; E37-W41 WeakPolarHBondContact O-CB 3.29Å; E37-W41 PolarHBondContact O-N 3.33Å; L38-W41 PolarHBondContact O-N 2.96Å; W41-K43 PolarHBondContact O-N 3.13Å; W41-K44 PolarHBondContact O-N 2.96Å; W41-S45 VanDerWaalsContact O-CB 3.23Å; W41-S45 WeakPolarHBondContact O-CB 3.32Å; W41-S45 PolarHBondContact O-N 3.39Å
42K88.5Confident88.6Confident132 Ų132114.2 Ų114.257%0.57454%0.536SS*.Hα-helixtrans-60.6-46.7175.9-171.2176.5-178.4-178.60111.5L38 A39 S45 Q46L38-K42 VanDerWaalsContact O-CB 3.32Å; L38-K42 WeakPolarHBondContact O-CB 3.37Å; L38-K42 PolarHBondContact O-N 3.46Å; A39-K42 PolarHBondContact O-N 2.99Å; K42-S45 PolarHBondContact O-N 3.36Å; K42-Q46 WeakPolarHBondContact O-CB 3.32Å; K42-Q46 WeakPolarHBondContact O-CG 3.28Å; K42-Q46 PolarHBondContact O-N 3.48Å
43K87.9Confident89.1Confident151 Ų151112.8 Ų112.866%0.65753%0.533SS*.Hα-helixtrans-60.5-48.2177.6-174.8178.8-179.2-179.60111.7A39 Q40 W41 S45 Q46 Q47A39-K43 WeakPolarHBondContact O-CB 3.23Å; A39-K43 PolarHBondContact O-N 2.91Å; Q40-K43 PolarHBondContact O-N 2.81Å; W41-K43 PolarHBondContact O-N 3.13Å; K43-S45 PolarHBondContact O-N 3.07Å; K43-Q46 PolarHBondContact O-N 3.34Å; K43-Q47 WeakPolarHBondContact O-CB 3.31Å; K43-Q47 PolarHBondContact O-N 3.49Å
44K87.3Confident89.6Confident141 Ų141113.1 Ų113.161%0.61354%0.544SS*.Hα-helixtrans-63.8-42.3179.4-170.6175.5-179179.90111.6Q40 W41 Q47 L48Q40-K44 WeakPolarHBondContact O-CB 3.3Å; Q40-K44 PolarHBondContact O-N 3.4Å; W41-K44 PolarHBondContact O-N 2.96Å; K44-Q47 PolarHBondContact O-N 3.38Å; K44-L48 HydrophobicContact CG-CD1 4.25Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 2.99Å
45S88.1Confident90.2Very high35 Ų35109.9 Ų109.925%0.24554%0.54CS..Hα-helixtrans-62.4-45.8177.3-175.70000112W41 K42 K43 Q47 L48 R49W41-S45 VanDerWaalsContact O-CB 3.23Å; W41-S45 WeakPolarHBondContact O-CB 3.32Å; W41-S45 PolarHBondContact O-N 3.39Å; K42-S45 PolarHBondContact O-N 3.36Å; K43-S45 PolarHBondContact O-N 3.07Å; S45-Q47 PolarHBondContact O-N 3Å; S45-L48 PolarHBondContact O-N 2.94Å; S45-R49 WeakPolarHBondContact O-CG 3.44Å; S45-R49 PolarHBondContact O-N 2.87Å
46Q86.5Confident90.8Very high122 Ų122105.2 Ų105.257%0.5753%0.53SS*.Hα-helixtrans-62.7-42.1176.1-75.1-178.1-23.300112.3K42 K43 L48 R49 G50K42-Q46 WeakPolarHBondContact O-CB 3.32Å; K42-Q46 WeakPolarHBondContact O-CG 3.28Å; K42-Q46 PolarHBondContact O-N 3.48Å; K43-Q46 PolarHBondContact O-N 3.34Å; Q46-L48 PolarHBondContact O-N 3.41Å; Q46-R49 PolarHBondContact O-N 3.5Å; Q46-G50 PolarHBondContact O-N 2.99Å
47Q88.3Confident91.3Very high119 Ų119108.4 Ų108.456%0.55655%0.545SS*.Hα-helixtrans-63.2-42.6178.2-168.8179.58.800112K43 K44 S45 G50 R51K43-Q47 WeakPolarHBondContact O-CB 3.31Å; K43-Q47 PolarHBondContact O-N 3.49Å; K44-Q47 PolarHBondContact O-N 3.38Å; S45-Q47 PolarHBondContact O-N 3Å; Q47-G50 PolarHBondContact O-N 3.48Å; Q47-R51 VanDerWaalsContact O-CG 3.3Å; Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.37Å
48L89.1Confident91.8Very high83 Ų83105.2 Ų105.244%0.43554%0.539SS..Hα-helixtrans-64.9-42.5176.4-70.7169.9000111.7K44 S45 Q46 R51 N52K44-L48 HydrophobicContact CG-CD1 4.25Å; K44-L48 VanDerWaalsContact O-CG 3.31Å; K44-L48 WeakPolarHBondContact O-CG 3.49Å; K44-L48 PolarHBondContact O-N 2.99Å; S45-L48 PolarHBondContact O-N 2.94Å; Q46-L48 PolarHBondContact O-N 3.41Å; L48-R51 PolarHBondContact O-N 2.96Å; L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 PolarHBondContact O-N 3.5Å; L48-N52 PolarHBondContact O-OD1 3.4Å
49R90.1Very high92.2Very high170 Ų170105.1 Ų105.164%0.64254%0.538SS*.Hα-helixtrans-61-46.4175.9-73.1176.2-177.2-162.1-0.8111.9S45 Q46 R51 N52 I53S45-R49 WeakPolarHBondContact O-CG 3.44Å; S45-R49 PolarHBondContact O-N 2.87Å; Q46-R49 PolarHBondContact O-N 3.5Å; R49-R51 PolarHBondContact O-N 2.97Å; R49-N52 PolarHBondContact O-N 3.2Å; R49-I53 VanDerWaalsContact O-CG1 3.32Å; R49-I53 WeakPolarHBondContact O-CG1 3.38Å; R49-I53 PolarHBondContact O-N 2.92Å
50G93.5Very high92.7Very high42 Ų42103.6 Ų103.643%0.43353%0.528SS..Hα-helixtrans-60.6-43.9178.100000112.4Q46 Q47 I53 A54Q46-G50 PolarHBondContact O-N 2.99Å; Q47-G50 PolarHBondContact O-N 3.48Å; G50-I53 PolarHBondContact O-N 2.96Å; G50-A54 WeakPolarHBondContact O-CB 3.42Å; G50-A54 PolarHBondContact O-N 2.9Å
51R93.7Very high93.2Very high161 Ų161100.2 Ų100.261%0.60852%0.522SS*.Hα-helixtrans-62.1-43.6175.7-71.4173.469.2171.72.6111.9Q47 L48 R49 I53 A54 T55Q47-R51 VanDerWaalsContact O-CG 3.3Å; Q47-R51 WeakPolarHBondContact O-CG 3.42Å; Q47-R51 PolarHBondContact O-N 3.37Å; L48-R51 PolarHBondContact O-N 2.96Å; R49-R51 PolarHBondContact O-N 2.97Å; R51-I53 PolarHBondContact O-N 3.3Å; R51-A54 PolarHBondContact O-N 3.48Å; R51-T55 WeakPolarHBondContact O-CB 3.32Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 2.98Å
52N95.4Very high93.7Very high114 Ų11496.5 Ų96.561%0.6152%0.515SS*.Hα-helixtrans-65.7-39.7179.6-69.4-3.8000112.1L48 R49 G56L48-N52 WeakPolarHBondContact O-CB 3.49Å; L48-N52 PolarHBondContact O-N 3.5Å; L48-N52 PolarHBondContact O-OD1 3.4Å; R49-N52 PolarHBondContact O-N 3.2Å; N52-G56 PolarHBondContact O-N 3.27Å
53I96.7Very high94.1Very high111 Ų11193.4 Ų93.457%0.56951%0.507SS*.Hα-helixtrans-63.3-48.4174.6-67.9166.2000110.1R49 G50 R51 T55 G56 L57R49-I53 VanDerWaalsContact O-CG1 3.32Å; R49-I53 WeakPolarHBondContact O-CG1 3.38Å; R49-I53 PolarHBondContact O-N 2.92Å; G50-I53 PolarHBondContact O-N 2.96Å; R51-I53 PolarHBondContact O-N 3.3Å; I53-T55 VanDerWaalsContact C-N 3.34Å; I53-T55 PolarHBondContact O-N 3.34Å; I53-G56 PolarHBondContact O-N 3.46Å; I53-L57 HydrophobicContact CG2-CD1 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.36Å; I53-L57 WeakPolarHBondContact O-CG 3.31Å; I53-L57 PolarHBondContact O-N 3.26Å
54A97.8Very high94.6Very high57 Ų5792.8 Ų92.847%0.47151%0.507SS..Hα-helixtrans-59.4-44.8179.100000111.9G50 R51 L57 A58G50-A54 WeakPolarHBondContact O-CB 3.42Å; G50-A54 PolarHBondContact O-N 2.9Å; R51-A54 PolarHBondContact O-N 3.48Å; A54-L57 PolarHBondContact O-N 3.42Å; A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.39Å
55T97.3Very high95Very high79 Ų7988 Ų8849%0.48550%0.499SS..Hα-helixtrans-62.2-44.4175.6-57.30000111.5R51 I53 L57 A58 I59R51-T55 WeakPolarHBondContact O-CB 3.32Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 2.98Å; I53-T55 VanDerWaalsContact C-N 3.34Å; I53-T55 PolarHBondContact O-N 3.34Å; T55-L57 PolarHBondContact O-N 3.49Å; T55-A58 PolarHBondContact O-N 2.95Å; T55-I59 HydrophobicContact CG2-CD1 3.91Å; T55-I59 WeakPolarHBondContact O-CG1 3.47Å; T55-I59 PolarHBondContact O-N 3.4Å
56G97.9Very high95.4Very high42 Ų4291.2 Ų91.243%0.43351%0.512SS..Hα-helixtrans-61.3-43177.400000112.8N52 I53 I59 G60N52-G56 PolarHBondContact O-N 3.27Å; I53-G56 PolarHBondContact O-N 3.46Å; G56-I59 PolarHBondContact O-N 3.35Å; G56-G60 PolarHBondContact O-N 2.92Å
57L98.4Very high95.8Very high122 Ų12292.4 Ų92.464%0.63951%0.512SS*.Hα-helixtrans-64.4-41.8175.5-71.2175.9000112I53 A54 T55 G60 A61I53-L57 HydrophobicContact CG2-CD1 4.01Å; I53-L57 HydrophobicContact CG2-CG 4.36Å; I53-L57 WeakPolarHBondContact O-CG 3.31Å; I53-L57 PolarHBondContact O-N 3.26Å; A54-L57 PolarHBondContact O-N 3.42Å; T55-L57 PolarHBondContact O-N 3.49Å; L57-G60 PolarHBondContact O-N 3.47Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.04Å
58A98.3Very high96.1Very high53 Ų5388.6 Ų88.644%0.43851%0.505SS..Hα-helixtrans-62.1-47.2177.400000111.5A54 T55 G60 A61 I62A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.39Å; T55-A58 PolarHBondContact O-N 2.95Å; A58-G60 PolarHBondContact O-N 3.35Å; A58-A61 PolarHBondContact O-N 3.49Å; A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 2.89Å
59I98.3Very high96.2Very high100 Ų10092.1 Ų92.151%0.51351%0.514SS..Hα-helixtrans-60.8-46.9176.1-66.2168.3000110.2T55 G56 A61 I62 V63T55-I59 HydrophobicContact CG2-CD1 3.91Å; T55-I59 WeakPolarHBondContact O-CG1 3.47Å; T55-I59 PolarHBondContact O-N 3.4Å; G56-I59 PolarHBondContact O-N 3.35Å; I59-A61 VanDerWaalsContact C-N 3.35Å; I59-A61 PolarHBondContact O-N 2.86Å; I59-I62 PolarHBondContact O-N 3.04Å; I59-V63 HydrophobicContact CG2-CG2 4.48Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 3.33Å
60G98Very high96.1Very high29 Ų2987.4 Ų87.430%0.29950%0.504SS..Hα-helixtrans-59.5-42.7178.300000113G56 L57 A58 V63 M64G56-G60 PolarHBondContact O-N 2.92Å; L57-G60 PolarHBondContact O-N 3.47Å; A58-G60 PolarHBondContact O-N 3.35Å; G60-V63 PolarHBondContact O-N 3.49Å; G60-M64 WeakPolarHBondContact O-CB 3.43Å; G60-M64 WeakPolarHBondContact O-CG 3.38Å; G60-M64 PolarHBondContact O-N 2.92Å
61A98.3Very high95.5Very high57 Ų5792.4 Ų92.447%0.47151%0.514SS..Hα-helixtrans-64.1-41177.200000112.3L57 A58 I59 M64 G65L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 3.04Å; A58-A61 PolarHBondContact O-N 3.49Å; I59-A61 VanDerWaalsContact C-N 3.35Å; I59-A61 PolarHBondContact O-N 2.86Å; A61-M64 PolarHBondContact O-N 2.98Å; A61-G65 PolarHBondContact O-N 2.94Å
62I98.3Very high94.9Very high107 Ų10791.5 Ų91.555%0.54951%0.511SS..Hα-helixtrans-62.2-48.6176-69.4165.5000110.4A58 I59 M64 G65 I66A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.38Å; A58-I62 PolarHBondContact O-N 2.89Å; I59-I62 PolarHBondContact O-N 3.04Å; I62-M64 PolarHBondContact O-N 3.3Å; I62-G65 PolarHBondContact O-N 2.86Å; I62-G65 VanDerWaalsContact O-N 3.15Å; I62-I66 HydrophobicContact CG2-CD1 3.97Å; I62-I66 WeakPolarHBondContact O-CG1 3.45Å; I62-I66 PolarHBondContact O-N 3.36Å
63V97.9Very high94Very high67 Ų6787.7 Ų87.741%0.40649%0.494SS..Hα-helixtrans-60.5-48.3179.3173.40000110.6I59 G60 G65 I66 Y67I59-V63 HydrophobicContact CG2-CG2 4.48Å; I59-V63 WeakPolarHBondContact O-CG2 3.2Å; I59-V63 PolarHBondContact O-N 3.33Å; G60-V63 PolarHBondContact O-N 3.49Å; V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 3.15Å; V63-I66 PolarHBondContact O-N 3.49Å; V63-Y67 HydrophobicContact CG1-CD2 3.73Å; V63-Y67 HydrophobicContact CG1-CE2 3.83Å; V63-Y67 WeakPolarHBondContact O-CD2 3.33Å; V63-Y67 PolarHBondContact O-N 3.42Å
64M97.6Very high92.7Very high137 Ų13786.4 Ų86.468%0.67549%0.491SS*.Hα-helixtrans-60-37.7175.4-75.6-170.4-71.100112.3G60 A61 I62 G68G60-M64 WeakPolarHBondContact O-CB 3.43Å; G60-M64 WeakPolarHBondContact O-CG 3.38Å; G60-M64 PolarHBondContact O-N 2.92Å; A61-M64 PolarHBondContact O-N 2.98Å; I62-M64 PolarHBondContact O-N 3.3Å; M64-G68 WeakPolarHBondContact O-CA 3.49Å; M64-G68 PolarHBondContact O-N 2.96Å
65G96.6Very high91.1Very high42 Ų4290.3 Ų90.343%0.43350%0.497SS..Hα-helixtrans-63.7-46.2176.500000112.7A61 I62 V63 Y69A61-G65 PolarHBondContact O-N 2.94Å; I62-G65 PolarHBondContact O-N 2.86Å; I62-G65 VanDerWaalsContact O-N 3.15Å; V63-G65 VanDerWaalsContact C-N 3.27Å; V63-G65 PolarHBondContact O-N 3.15Å; G65-Y69 WeakPolarHBondContact O-CB 3.47Å; G65-Y69 PolarHBondContact O-N 2.85Å
66I96.1Very high89.2Confident102 Ų10291.3 Ų91.352%0.52350%0.497SS..Hα-helixtrans-62.6-53.4178.1-65.7167.2000110.1I62 V63 G68 Y69 T70I62-I66 HydrophobicContact CG2-CD1 3.97Å; I62-I66 WeakPolarHBondContact O-CG1 3.45Å; I62-I66 PolarHBondContact O-N 3.36Å; V63-I66 PolarHBondContact O-N 3.49Å; I66-G68 PolarHBondContact O-N 3.49Å; I66-Y69 PolarHBondContact O-N 2.92Å; I66-T70 PolarHBondContact O-N 3.01Å; I66-T70 PolarHBondContact O-OG1 3.39Å
67Y93.6Very high87.4Confident146 Ų14696 Ų9657%0.57351%0.507SS*.Hα-helixtrans-64-43.8-179.7-81-74.8000111.9V63 Y69 T70 F71V63-Y67 HydrophobicContact CG1-CD2 3.73Å; V63-Y67 HydrophobicContact CG1-CE2 3.83Å; V63-Y67 WeakPolarHBondContact O-CD2 3.33Å; V63-Y67 PolarHBondContact O-N 3.42Å; Y67-Y69 VanDerWaalsContact C-N 3.32Å; Y67-Y69 PolarHBondContact O-N 3.43Å; Y67-T70 PolarHBondContact O-N 3.45Å; Y67-F71 WeakPolarHBondContact O-CD2 3.41Å; Y67-F71 PolarHBondContact O-N 3.42Å
68G94.4Very high85.7Confident39 Ų3996.6 Ų96.640%0.40250%0.504SS..Hα-helixtrans-59.6-42.3177.100000112.2M64 I66 F71 Y72M64-G68 WeakPolarHBondContact O-CA 3.49Å; M64-G68 PolarHBondContact O-N 2.96Å; I66-G68 PolarHBondContact O-N 3.49Å; G68-F71 PolarHBondContact O-N 3.45Å; G68-Y72 WeakPolarHBondContact O-CB 3.39Å; G68-Y72 PolarHBondContact O-N 3.31Å
69Y92.2Very high83.9Confident158 Ų15898.5 Ų98.562%0.6251%0.506SS*.Hα-helixtrans-64.5-45.7174.4-178.8-102.5000111.7G65 I66 Y67 F71 Y72 S73G65-Y69 WeakPolarHBondContact O-CB 3.47Å; G65-Y69 PolarHBondContact O-N 2.85Å; I66-Y69 PolarHBondContact O-N 2.92Å; Y67-Y69 VanDerWaalsContact C-N 3.32Å; Y67-Y69 PolarHBondContact O-N 3.43Å; Y69-F71 VanDerWaalsContact C-N 3.34Å; Y69-F71 PolarHBondContact O-N 2.78Å; Y69-Y72 CarbonylContact O-C 3.58Å; Y69-Y72 PolarHBondContact O-N 3.04Å; Y69-Y72 VanDerWaalsContact O-N 3.12Å; Y69-S73 WeakPolarHBondContact O-CB 3.43Å; Y69-S73 PolarHBondContact O-N 2.96Å; Y69-S73 PolarHBondContact O-OG 3.49Å
70T87.3Confident82.4Confident70 Ų7098.8 Ų98.843%0.42951%0.507SS..Hα-helixtrans-58.5-44.6175.8-57.20000111.8I66 Y67 Y72 S73 V74I66-T70 PolarHBondContact O-N 3.01Å; I66-T70 PolarHBondContact O-OG1 3.39Å; Y67-T70 PolarHBondContact O-N 3.45Å; T70-Y72 VanDerWaalsContact C-N 3.32Å; T70-Y72 PolarHBondContact O-N 3.23Å; T70-S73 WeakPolarHBondContact CA-OG 3.44Å; T70-S73 PolarHBondContact O-N 2.79Å; T70-S73 PolarHBondContact O-OG 3Å; T70-V74 WeakPolarHBondContact O-CB 3.22Å; T70-V74 VanDerWaalsContact O-CG2 3.22Å; T70-V74 WeakPolarHBondContact O-CG2 3.5Å; T70-V74 PolarHBondContact O-N 3.12Å
71F80.9Confident81Confident148 Ų148102.7 Ų102.765%0.64952%0.521SS*.Hα-helixtrans-63.8-38.2175.7-78.3-65.4000112.4Y67 G68 Y69 K75Y67-F71 WeakPolarHBondContact O-CD2 3.41Å; Y67-F71 PolarHBondContact O-N 3.42Å; G68-F71 PolarHBondContact O-N 3.45Å; Y69-F71 VanDerWaalsContact C-N 3.34Å; Y69-F71 PolarHBondContact O-N 2.78Å; F71-K75 PolarHBondContact O-N 3.28Å
72Y81.4Confident79.6Confident141 Ų141104.9 Ų104.955%0.55352%0.521SS*.Hα-helixtrans-70.1-40.2177.3178-108.6000112.5G68 Y69 T70 K75 Q76G68-Y72 WeakPolarHBondContact O-CB 3.39Å; G68-Y72 PolarHBondContact O-N 3.31Å; Y69-Y72 CarbonylContact O-C 3.58Å; Y69-Y72 PolarHBondContact O-N 3.04Å; Y69-Y72 VanDerWaalsContact O-N 3.12Å; T70-Y72 VanDerWaalsContact C-N 3.32Å; T70-Y72 PolarHBondContact O-N 3.23Å; Y72-K75 WeakPolarHBondContact O-CB 3.04Å; Y72-K75 PolarHBondContact O-N 2.87Å; Y72-Q76 PolarHBondContact O-N 3.43Å
73S77.5Confident78.3Confident35 Ų35104.1 Ų104.125%0.24552%0.518CS..Hα-helixtrans-67.3-40.6178.266.40000111.6Y69 T70 K75 Q76 E77Y69-S73 WeakPolarHBondContact O-CB 3.43Å; Y69-S73 PolarHBondContact O-N 2.96Å; Y69-S73 PolarHBondContact O-OG 3.49Å; T70-S73 WeakPolarHBondContact CA-OG 3.44Å; T70-S73 PolarHBondContact O-N 2.79Å; T70-S73 PolarHBondContact O-OG 3Å; S73-K75 PolarHBondContact O-N 3.39Å; S73-Q76 WeakPolarHBondContact O-CB 3.36Å; S73-Q76 PolarHBondContact O-N 3.3Å; S73-E77 PolarHBondContact O-N 3.31Å
74V67.8Low77.1Confident83 Ų83104.8 Ų104.850%0.50352%0.519SS..Hα-helixtrans-60.9-33.2174.1171.40000111.7T70 Q76 K78T70-V74 WeakPolarHBondContact O-CB 3.22Å; T70-V74 VanDerWaalsContact O-CG2 3.22Å; T70-V74 WeakPolarHBondContact O-CG2 3.5Å; T70-V74 PolarHBondContact O-N 3.12Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; V74-K78 PolarHBondContact O-N 3.25Å
75K64.9Low76.1Confident139 Ų139104.6 Ų104.660%0.60452%0.517SS*.Hα-helixtrans-67.1-32.6173-75.4-176178.5-171.70112.9F71 Y72 S73 I79F71-K75 PolarHBondContact O-N 3.28Å; Y72-K75 WeakPolarHBondContact O-CB 3.04Å; Y72-K75 PolarHBondContact O-N 2.87Å; S73-K75 PolarHBondContact O-N 3.39Å; K75-I79 WeakPolarHBondContact O-CB 3.23Å; K75-I79 WeakPolarHBondContact O-CD1 3.39Å; K75-I79 VanDerWaalsContact O-CG1 3.23Å; K75-I79 WeakPolarHBondContact O-CG1 3.46Å; K75-I79 PolarHBondContact O-N 3.29Å
76Q57.7Low74.9Confident101 Ų101109.2 Ų109.247%0.47253%0.527SS..Hα-helixtrans-68.6-40.2178.6-70-178.647.200112.1Y72 S73 V74 K78 I79 M80Y72-Q76 PolarHBondContact O-N 3.43Å; S73-Q76 WeakPolarHBondContact O-CB 3.36Å; S73-Q76 PolarHBondContact O-N 3.3Å; V74-Q76 VanDerWaalsContact C-N 3.33Å; Q76-K78 VanDerWaalsContact C-N 3.34Å; Q76-K78 PolarHBondContact O-N 2.99Å; Q76-I79 PolarHBondContact O-N 3.34Å; Q76-M80 PolarHBondContact O-N 3.29Å
77E59.3Low73.8Confident140 Ų140106.5 Ų106.565%0.65452%0.52SS*.Hα-helixtrans-60.2-46.8175.2-68.4-178.7169.900110.8S73 I79 M80 D81S73-E77 PolarHBondContact O-N 3.31Å; E77-I79 PolarHBondContact O-N 3.02Å; E77-M80 PolarHBondContact O-N 3.05Å; E77-D81 PolarHBondContact O-N 3.02Å
78K62.8Low73Confident134 Ų134105.3 Ų105.358%0.58352%0.518SS*.Hα-helixtrans-64.4-39179.1-168.7177.4-179.7-1650113.5V74 Q76 D81 E82V74-K78 PolarHBondContact O-N 3.25Å; Q76-K78 VanDerWaalsContact C-N 3.34Å; Q76-K78 PolarHBondContact O-N 2.99Å; K78-D81 PolarHBondContact O-N 3.02Å; K78-E82 VanDerWaalsContact CE-OE1 3.22Å; K78-E82 WeakPolarHBondContact CE-OE1 3.26Å; K78-E82 IonicContact NZ-OE1 3.83Å; K78-E82 WeakPolarHBondContact O-CG 3.29Å; K78-E82 PolarHBondContact O-N 3.41Å
79I61.4Low72.1Confident93 Ų93108 Ų10848%0.47753%0.526SS..Hα-helixtrans-68.7-38.1177.9-70.6166.6000110.9K75 Q76 E77 D81 E82 L83K75-I79 WeakPolarHBondContact O-CB 3.23Å; K75-I79 WeakPolarHBondContact O-CD1 3.39Å; K75-I79 VanDerWaalsContact O-CG1 3.23Å; K75-I79 WeakPolarHBondContact O-CG1 3.46Å; K75-I79 PolarHBondContact O-N 3.29Å; Q76-I79 PolarHBondContact O-N 3.34Å; E77-I79 PolarHBondContact O-N 3.02Å; I79-D81 VanDerWaalsContact C-N 3.33Å; I79-E82 PolarHBondContact O-N 3Å; I79-L83 HydrophobicContact CG2-CD1 4.03Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.39Å
80M66.8Low71.2Confident106 Ų106103.6 Ų103.652%0.52252%0.522SS..Hα-helixtrans-64.3-40.7176-169.262.9-156.100111.2Q76 E77 L83 D84Q76-M80 PolarHBondContact O-N 3.29Å; E77-M80 PolarHBondContact O-N 3.05Å; M80-L83 PolarHBondContact O-N 3.43Å; M80-D84 PolarHBondContact O-N 3.43Å
81D67.6Low70.5Confident111 Ų111110 Ų11059%0.59454%0.539SS*.Hα-helixtrans-62.9-43.7175.2-72.5-19.6000112.2E77 K78 I79 D84 E85E77-D81 PolarHBondContact O-N 3.02Å; K78-D81 PolarHBondContact O-N 3.02Å; I79-D81 VanDerWaalsContact C-N 3.33Å; D81-D84 PolarHBondContact O-N 3.39Å; D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 PolarHBondContact O-N 2.92Å
82E69.9Low70Confident103 Ų103109.3 Ų109.348%0.48154%0.539SS..Hα-helixtrans-62.8-41.2177.1-75.2174.5-169.700111.9K78 I79 E85 E86K78-E82 VanDerWaalsContact CE-OE1 3.22Å; K78-E82 WeakPolarHBondContact CE-OE1 3.26Å; K78-E82 IonicContact NZ-OE1 3.83Å; K78-E82 WeakPolarHBondContact O-CG 3.29Å; K78-E82 PolarHBondContact O-N 3.41Å; I79-E82 PolarHBondContact O-N 3Å; E82-E85 PolarHBondContact O-N 2.98Å; E82-E86 WeakPolarHBondContact O-CB 3.31Å; E82-E86 PolarHBondContact O-N 3.02Å
83L71.1Confident69.1Low92 Ų92105 Ų10548%0.48254%0.537SS..Hα-helixtrans-66.6-40.7176.9-72.2171.8000112.7I79 M80 E85 E86 A87I79-L83 HydrophobicContact CG2-CD1 4.03Å; I79-L83 HydrophobicContact CG2-CG 4.4Å; I79-L83 VanDerWaalsContact O-CG 3.29Å; I79-L83 WeakPolarHBondContact O-CG 3.48Å; I79-L83 PolarHBondContact O-N 3.39Å; M80-L83 PolarHBondContact O-N 3.43Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-E86 PolarHBondContact O-N 3.42Å; L83-A87 VanDerWaalsContact O-CB 3.31Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 3.05Å
84D72.9Confident68.2Low80 Ų80105.6 Ų105.643%0.42855%0.549SS..Hα-helixtrans-67.3-35.6177.6-108.523.5000111.6M80 D81 K88M80-D84 PolarHBondContact O-N 3.43Å; D81-D84 PolarHBondContact O-N 3.39Å; D84-K88 WeakPolarHBondContact O-CB 3.49Å; D84-K88 VanDerWaalsContact O-CG 3.26Å; D84-K88 WeakPolarHBondContact O-CG 3.48Å; D84-K88 PolarHBondContact O-N 3.47Å
85E75.9Confident67.7Low134 Ų134105.7 Ų105.763%0.62656%0.559SS**Hα-helixtrans-68.4-45.6175-158.1178.2-165.600111.4D81 E82 L83 A87 K88 V89D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 PolarHBondContact O-N 2.92Å; E82-E85 PolarHBondContact O-N 2.98Å; L83-E85 VanDerWaalsContact C-N 3.32Å; E85-A87 VanDerWaalsContact C-N 3.34Å; E85-A87 PolarHBondContact O-N 3.37Å; E85-K88 WeakPolarHBondContact O-CB 3.37Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-V89 WeakPolarHBondContact O-CG2 3.48Å; E85-V89 PolarHBondContact O-N 2.97Å
86E70.9Confident67.3Low138 Ų138107.6 Ų107.665%0.64557%0.567SS**Hα-helixtrans-63.2-39.5176.7-163172.3-158.300111.8E82 L83 V89 A90E82-E86 WeakPolarHBondContact O-CB 3.31Å; E82-E86 PolarHBondContact O-N 3.02Å; L83-E86 PolarHBondContact O-N 3.42Å; E86-V89 PolarHBondContact O-N 3.49Å; E86-A90 WeakPolarHBondContact O-CB 3.33Å; E86-A90 PolarHBondContact O-N 2.83Å
87A73.6Confident67.4Low46 Ų46109 Ų10938%0.3858%0.583SS.*Hα-helixtrans-65.1-38.2174.100000112.7L83 E85 A90 R91L83-A87 VanDerWaalsContact O-CB 3.31Å; L83-A87 WeakPolarHBondContact O-CB 3.22Å; L83-A87 PolarHBondContact O-N 3.05Å; E85-A87 VanDerWaalsContact C-N 3.34Å; E85-A87 PolarHBondContact O-N 3.37Å; A87-A90 PolarHBondContact O-N 3.33Å; A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 WeakPolarHBondContact O-CG 3.47Å; A87-R91 PolarHBondContact O-N 3.19Å
88K75.8Confident67.3Low121 Ų121106 Ų10653%0.52659%0.589SS.*Hα-helixtrans-64.3-44.4173.5-77.7169-173.5164.90111.2D84 E85 R91 M92D84-K88 WeakPolarHBondContact O-CB 3.49Å; D84-K88 VanDerWaalsContact O-CG 3.26Å; D84-K88 WeakPolarHBondContact O-CG 3.48Å; D84-K88 PolarHBondContact O-N 3.47Å; E85-K88 WeakPolarHBondContact O-CB 3.37Å; E85-K88 PolarHBondContact O-N 3.44Å; K88-R91 PolarHBondContact O-N 3.43Å; K88-M92 HydrophobicContact CB-CE 3.95Å; K88-M92 WeakPolarHBondContact O-CG 3.37Å; K88-M92 PolarHBondContact O-N 2.96Å
89V76.8Confident66.8Low95 Ų95103.6 Ų103.658%0.57659%0.594SS**Hα-helixtrans-63.2-44.1176.5173.80000110.8E85 E86 R91 M92 G93E85-V89 WeakPolarHBondContact O-CG2 3.48Å; E85-V89 PolarHBondContact O-N 2.97Å; E86-V89 PolarHBondContact O-N 3.49Å; V89-R91 PolarHBondContact O-N 3.26Å; V89-M92 PolarHBondContact O-N 3.21Å; V89-G93 PolarHBondContact O-N 2.86Å
90A73.5Confident66Low65 Ų65110.5 Ų110.554%0.53763%0.632SS.*Hα-helixtrans-62.1-40176.800000112.6E86 A87 G93 G94E86-A90 WeakPolarHBondContact O-CB 3.33Å; E86-A90 PolarHBondContact O-N 2.83Å; A87-A90 PolarHBondContact O-N 3.33Å; A90-G93 PolarHBondContact O-N 2.94Å; A90-G94 PolarHBondContact O-N 3.41Å
91R72.3Confident66Low206 Ų206110.7 Ų110.778%0.77764%0.637SS**Hα-helixtrans-67.5-39.4174.4-75.7-174.8178.3-176.32.8112.7A87 K88 V89 G93 A95A87-R91 WeakPolarHBondContact O-CB 3.37Å; A87-R91 WeakPolarHBondContact O-CG 3.47Å; A87-R91 PolarHBondContact O-N 3.19Å; K88-R91 PolarHBondContact O-N 3.43Å; V89-R91 PolarHBondContact O-N 3.26Å; R91-G93 VanDerWaalsContact C-N 3.33Å; R91-A95 PolarHBondContact O-N 3.25Å
92M70Confident65.9Low132 Ų132110.7 Ų110.765%0.6564%0.64SS**Hα-helixtrans-69.4-30.9175.7-72.4-173.2-114.500112.5K88 V89K88-M92 HydrophobicContact CB-CE 3.95Å; K88-M92 WeakPolarHBondContact O-CG 3.37Å; K88-M92 PolarHBondContact O-N 2.96Å; V89-M92 PolarHBondContact O-N 3.21Å
93G63.3Low65.6Low50 Ų50111.1 Ų111.152%0.51565%0.648SS.*Hα-helixtrans-75.9-38173.500000113.8V89 A90 R91V89-G93 PolarHBondContact O-N 2.86Å; A90-G93 PolarHBondContact O-N 2.94Å; R91-G93 VanDerWaalsContact C-N 3.33Å
94G58.4Low65.3Low49 Ų49112.2 Ų112.251%0.50566%0.658SS.*Hα-helixtrans-75.9-18.1-179.400000115A90 K96A90-G94 PolarHBondContact O-N 3.41Å; G94-K96 PolarHBondContact O-N 2.86Å
95A57.3Low64.8Low84 Ų84114.3 Ų114.369%0.69467%0.673SS**THydrogen-bonded Turntrans-73.6-1.9178.900000114.5R91R91-A95 PolarHBondContact O-N 3.25Å
96K56.9Low64.1Low180 Ų180112.9 Ų112.978%0.78368%0.676SS**THydrogen-bonded Turntrans-109.56.7-174.1-61.1-171.4-176.7179.10115.6G94G94-K96 PolarHBondContact O-N 2.86Å
97T58.6Low63.6Low130 Ų130111.1 Ų111.180%0.79868%0.678SS**SBendtrans-120.218.4-177.656.30000114.8
98G57.7Low62.8Low76 Ų76116.2 Ų116.278%0.78470%0.701SS**SBendtrans-121.852179.500000114
99A52.2Low61.8Low84 Ų84115.8 Ų115.869%0.69472%0.715SS**  trans-169.4125.515800000110.7
100N44.4Very low60.4Low238 Ų238117.6 Ų117.6100%1.27373%0.728SS**  trans88.80171.7-47.3-40.6000116.6

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