A0A3Q0KU78_SCHMA Loading...

Cytochrome c oxidase polypeptide VIIc

AlphaFold DB , UniProt , Accession A0A3Q0KU78, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 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
1M42.7Very low44.7Very low252 Ų252154.7 Ų154.7100%1.24179%0.787SS**  046.20-154.1161.7-175.200111.7
2A47.4Very low44.7Very low90 Ų90153.2 Ų153.274%0.74478%0.781SS**  trans-127.94.4-169.900000114.8R4A2-R4 PolarHBondContact O-N 2.69Å
3M44.7Very low45Very low195 Ų195151.7 Ų151.796%0.96178%0.775SS**THydrogen-bonded Turntrans-86.75.1-170.6-96.7-178.5157.200116
4R46Very low45.4Very low237 Ų237147.4 Ų147.489%0.89477%0.765SS**THydrogen-bonded Turntrans-109.91.6-173.3-84.7-175.4172.5173.3-1.8116.3A2A2-R4 PolarHBondContact O-N 2.69Å
5V49.1Very low45.9Very low102 Ų102148.9 Ų148.962%0.61876%0.763SS**SBendtrans-92.2-18.7-171.2-1710000113.7
6S43.5Very low46.1Very low98 Ų98147.6 Ų147.669%0.68577%0.768SS**G310 helixtrans-80.6-23.4-173.3-156.80000114.8R8S6-R8 PolarHBondContact O-N 3.01Å
7A45.7Very low46.3Very low84 Ų84151.5 Ų151.569%0.69477%0.77SS**G310 helixtrans-77.5-20.5-176.900000114.5
8R41.5Very low46.7Very low224 Ų224153.4 Ų153.485%0.84578%0.775SS**G310 helixtrans-81.8-16.6-179.5-89.9-174-178.8-178.70.7114.4S6S6-R8 PolarHBondContact O-N 3.01Å
9Y44.4Very low47.1Very low178 Ų178150.9 Ų150.970%0.69876%0.759SS**THydrogen-bonded Turntrans-92.8-13.4176-73.2-83.1000113.4S11Y9-S11 VanDerWaalsContact C-N 3.33Å
10F43.5Very low47.7Very low160 Ų160147.7 Ų147.770%0.70275%0.749SS**G310 helixtrans-81.7-9.5178-128.9-91.2000113.9L12 L13F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 3.36Å; F10-L13 HydrophobicContact CE1-CD1 4.48Å
11S43.5Very low48.4Very low82 Ų82144.5 Ų144.557%0.57375%0.745SS**G310 helixtrans-86.98.3178.5-1290000114.4Y9 L13 S14Y9-S11 VanDerWaalsContact C-N 3.33Å; S11-L13 VanDerWaalsContact C-N 3.28Å; S11-S14 PolarHBondContact O-OG 3.03Å
12L44.8Very low49.3Very low136 Ų136139.8 Ų139.871%0.71272%0.718SS**G310 helixtrans-83.5-1.6170.4-79.2165000113.5F10F10-L12 VanDerWaalsContact C-N 3.32Å; F10-L12 PolarHBondContact O-N 3.36Å
13L48.6Very low49.9Very low134 Ų134137.1 Ų137.170%0.70270%0.696SS**G310 helixtrans-99.21.7176.7-90152000113.9F10 S11F10-L13 HydrophobicContact CE1-CD1 4.48Å; S11-L13 VanDerWaalsContact C-N 3.28Å
14S50.8Low50.6Low91 Ų91132.1 Ų132.164%0.63667%0.67SS**SBendtrans-94.9-3.2-175.660.70000115.1S11S11-S14 PolarHBondContact O-OG 3.03Å
15K52.8Low51.4Low171 Ų171126.1 Ų126.174%0.74365%0.652SS**SBendtrans-85.3141.9166.2-69-173.9178.2-177.20108.4R17K15-R17 PolarHBondContact O-N 3.02Å
16P49Very low51.8Low128 Ų128124.9 Ų124.983%0.83164%0.641SS**  trans-64.188.216828.5-31.4000106.7E18P16-E18 PolarHBondContact O-N 3.46Å
17R49.1Very low52.7Low214 Ų214125.1 Ų125.181%0.80863%0.632SS**  trans-62.9110.7169.7-108-173.9170.5174.5-2104.6K15 K19K15-R17 PolarHBondContact O-N 3.02Å; R17-K19 PolarHBondContact O-N 3.48Å
18E53.6Low53.4Low185 Ų185127.2 Ų127.286%0.86463%0.625SS**  trans-42.1118.6162.8-74.2-176.8151.800107P16P16-E18 PolarHBondContact O-N 3.46Å
19K55.4Low54.2Low106 Ų106118.8 Ų118.846%0.46160%0.604SS.*  trans-57.2129.5177.3-68.8176.3177.7175.40105.8R17 A21 A23R17-K19 PolarHBondContact O-N 3.48Å; K19-A21 PolarHBondContact O-N 3.42Å; K19-A23 HydrophobicContact CB-CB 4.25Å
20P58.1Low54.8Low87 Ų87116.5 Ų116.557%0.56560%0.601SS**  trans-51.8141177.321.4-31.4000108.5F22 A23 H24P20-F22 CarbonylContact O-C 3.55Å; P20-F22 PolarHBondContact O-N 2.91Å; P20-A23 HydrophobicContact CG-CB 3.89Å; P20-A23 WeakPolarHBondContact O-CA 3.48Å; P20-A23 WeakPolarHBondContact O-CB 3.49Å; P20-A23 PolarHBondContact O-N 3.1Å; P20-H24 PolarHBondContact O-N 3.31Å
21A62.7Low55.2Low81 Ų81112.2 Ų112.267%0.66960%0.602SS**Hα-helixtrans-49.4-34.9-175.700000112.3K19 A23 H24 E25K19-A21 PolarHBondContact O-N 3.42Å; A21-A23 PolarHBondContact O-N 3.01Å; A21-H24 PolarHBondContact O-N 3.4Å; A21-H24 VanDerWaalsContact O-N 3.17Å; A21-E25 PolarHBondContact O-N 3.34Å
22F62.4Low55.6Low152 Ų152116.8 Ų116.867%0.66761%0.611SS**Hα-helixtrans-54.4-45.2170.8-179.7-107.3000114.1P20 H24 E25 L26P20-F22 CarbonylContact O-C 3.55Å; P20-F22 PolarHBondContact O-N 2.91Å; F22-H24 VanDerWaalsContact C-N 3.33Å; F22-H24 PolarHBondContact O-N 3.39Å; F22-E25 PolarHBondContact O-N 2.9Å; F22-L26 HydrophobicContact CD1-CD1 4.05Å; F22-L26 HydrophobicContact CE1-CD1 3.31Å; F22-L26 HydrophobicContact CE2-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD1 3.37Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 3.36Å
23A59.2Low55.9Low34 Ų34113.7 Ų113.728%0.28160%0.595SS.*Hα-helixtrans-68.6-29.3177.700000113K19 P20 A21 Q27K19-A23 HydrophobicContact CB-CB 4.25Å; P20-A23 HydrophobicContact CG-CB 3.89Å; P20-A23 WeakPolarHBondContact O-CA 3.48Å; P20-A23 WeakPolarHBondContact O-CB 3.49Å; P20-A23 PolarHBondContact O-N 3.1Å; A21-A23 PolarHBondContact O-N 3.01Å; A23-Q27 VanDerWaalsContact O-CB 3.24Å; A23-Q27 WeakPolarHBondContact O-CB 2.96Å; A23-Q27 PolarHBondContact O-N 2.82Å
24H59.6Low55.9Low90 Ų90112.2 Ų112.242%0.41759%0.588SS.*Hα-helixtrans-70.2-41.3171.7-94.5-68.1000112P20 A21 F22 Q27 K28P20-H24 PolarHBondContact O-N 3.31Å; A21-H24 PolarHBondContact O-N 3.4Å; A21-H24 VanDerWaalsContact O-N 3.17Å; F22-H24 VanDerWaalsContact C-N 3.33Å; F22-H24 PolarHBondContact O-N 3.39Å; H24-Q27 PolarHBondContact O-N 3.35Å; H24-K28 WeakPolarHBondContact O-CB 3.18Å; H24-K28 WeakPolarHBondContact O-CG 3.24Å; H24-K28 PolarHBondContact O-N 3.42Å
25E61.6Low56.1Low111 Ų111115.9 Ų115.952%0.51960%0.599SS.*Hα-helixtrans-66.7-38.5173.7-69.6-56.1131.400111.5A21 F22 K28 A29A21-E25 PolarHBondContact O-N 3.34Å; F22-E25 PolarHBondContact O-N 2.9Å; E25-K28 PolarHBondContact O-N 3.07Å; E25-K28 IonicContact OE1-NZ 3.58Å; E25-A29 VanDerWaalsContact O-CB 3.3Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 3.42Å
26L59.2Low55.9Low76 Ų76114.4 Ų114.440%0.39859%0.594SS.*Hα-helixtrans-65.5-40.5174.4-135145000111.5F22 A29 M30F22-L26 HydrophobicContact CD1-CD1 4.05Å; F22-L26 HydrophobicContact CE1-CD1 3.31Å; F22-L26 HydrophobicContact CE2-CD1 4.14Å; F22-L26 HydrophobicContact CZ-CD1 3.37Å; F22-L26 WeakPolarHBondContact O-CB 3.3Å; F22-L26 PolarHBondContact O-N 3.36Å; L26-A29 PolarHBondContact O-N 3.02Å; L26-M30 HydrophobicContact CD2-CG 4.2Å; L26-M30 HydrophobicContact CD2-SD 3.84Å; L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 VanDerWaalsContact O-CG 3.22Å; L26-M30 WeakPolarHBondContact O-CG 3.44Å; L26-M30 PolarHBondContact O-N 2.95Å
27Q61Low56Low103 Ų103111.3 Ų111.348%0.48159%0.586SS.*Hα-helixtrans-67-39.1175.4-171.7172.95.700112A23 H24 G31A23-Q27 VanDerWaalsContact O-CB 3.24Å; A23-Q27 WeakPolarHBondContact O-CB 2.96Å; A23-Q27 PolarHBondContact O-N 2.82Å; H24-Q27 PolarHBondContact O-N 3.35Å; Q27-G31 PolarHBondContact O-N 3.39Å
28K61Low56.2Low129 Ų129107.9 Ų107.956%0.56158%0.577SS**Hα-helixtrans-66.7-39.9173.4-81.3179.8-177.3169.80112.3H24 E25 G31 K32H24-K28 WeakPolarHBondContact O-CB 3.18Å; H24-K28 WeakPolarHBondContact O-CG 3.24Å; H24-K28 PolarHBondContact O-N 3.42Å; E25-K28 PolarHBondContact O-N 3.07Å; E25-K28 IonicContact OE1-NZ 3.58Å; K28-G31 PolarHBondContact O-N 3.31Å; K28-K32 PolarHBondContact O-N 2.84Å
29A58.9Low56Low47 Ų47105.5 Ų105.539%0.38858%0.577SS.*Hα-helixtrans-62.8-50.3174.700000109.8E25 L26 G31 K32 L33E25-A29 VanDerWaalsContact O-CB 3.3Å; E25-A29 WeakPolarHBondContact O-CB 3.48Å; E25-A29 PolarHBondContact O-N 3.42Å; L26-A29 PolarHBondContact O-N 3.02Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 3.17Å; A29-K32 PolarHBondContact O-N 3.43Å; A29-K32 VanDerWaalsContact O-N 3.07Å; A29-L33 VanDerWaalsContact C-CD1 3.47Å; A29-L33 HydrophobicContact CB-CD1 4.39Å; A29-L33 WeakPolarHBondContact O-CD1 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.34Å
30M55.1Low55.8Low129 Ų129101.9 Ų101.964%0.63557%0.57SS**Hα-helixtrans-60.7-33.8176.5-71.9-176.578.700113.3L26 K32 L33L26-M30 HydrophobicContact CD2-CG 4.2Å; L26-M30 HydrophobicContact CD2-SD 3.84Å; L26-M30 WeakPolarHBondContact O-CB 3.4Å; L26-M30 VanDerWaalsContact O-CG 3.22Å; L26-M30 WeakPolarHBondContact O-CG 3.44Å; L26-M30 PolarHBondContact O-N 2.95Å; M30-K32 VanDerWaalsContact C-N 3.27Å; M30-K32 PolarHBondContact O-N 3.38Å; M30-L33 PolarHBondContact O-N 2.71Å
31G53Low55.5Low70 Ų7099.4 Ų99.472%0.72256%0.56SS**THydrogen-bonded Turntrans-72.9-12.2176.300000115.1Q27 K28 A29Q27-G31 PolarHBondContact O-N 3.39Å; K28-G31 PolarHBondContact O-N 3.31Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 3.17Å
32K52.7Low55.1Low178 Ų178100.3 Ų100.377%0.77455%0.553SS**THydrogen-bonded Turntrans-99.9-0.5174.8-75.5-177.5175-1760113.2K28 A29 M30K28-K32 PolarHBondContact O-N 2.84Å; A29-K32 PolarHBondContact O-N 3.43Å; A29-K32 VanDerWaalsContact O-N 3.07Å; M30-K32 VanDerWaalsContact C-N 3.27Å; M30-K32 PolarHBondContact O-N 3.38Å
33L51.2Low54.8Low72 Ų7297.2 Ų97.238%0.37754%0.543SS..  trans-111.264.7-166.1-77.7159.4000110.6A29 M30 L42A29-L33 VanDerWaalsContact C-CD1 3.47Å; A29-L33 HydrophobicContact CB-CD1 4.39Å; A29-L33 WeakPolarHBondContact O-CD1 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.34Å; M30-L33 PolarHBondContact O-N 2.71Å; L33-L42 HydrophobicContact CB-CD1 3.67Å; L33-L42 HydrophobicContact CB-CD2 3.46Å; L33-L42 VanDerWaalsContact CB-CD2 3.46Å; L33-L42 HydrophobicContact CB-CG 4Å; L33-L42 HydrophobicContact CD1-CD2 3.55Å; L33-L42 HydrophobicContact CD2-CD1 3.2Å; L33-L42 HydrophobicContact CD2-CD2 3.7Å; L33-L42 HydrophobicContact CD2-CG 3.89Å; L33-L42 HydrophobicContact CG-CD1 3.94Å; L33-L42 HydrophobicContact CG-CD2 3.68Å; L33-L42 HydrophobicContact CG-CG 4.31Å
34D48.1Very low54.5Low102 Ų102100.5 Ų100.555%0.54556%0.556SS.*  trans-152.179.2164.4-149-9.9000109.4E36 G37 K38D34-E36 VanDerWaalsContact C-N 3.27Å; D34-G37 WeakPolarHBondContact OD1-CA 3.35Å; D34-G37 PolarHBondContact OD1-N 3.47Å; D34-K38 PolarHBondContact OD1-N 2.89Å
35I54Low54.5Low169 Ų169101.9 Ų101.987%0.86757%0.573SS**SBendtrans-82.6-9.3176.4-60.5173.3000110.6
36E48.8Very low54.4Low139 Ų13999.3 Ų99.365%0.6556%0.562SS**SBendtrans-123.7-1.4-171.6-67.7-167.4155.600115.2D34 K38D34-E36 VanDerWaalsContact C-N 3.27Å; E36-K38 PolarHBondContact O-N 2.83Å; E36-K38 VanDerWaalsContact O-N 3.1Å
37G52.1Low54.3Low63 Ų63102 Ų10265%0.64957%0.57SS**SBendtrans60.222.9177.100000113.6D34D34-G37 WeakPolarHBondContact OD1-CA 3.35Å; D34-G37 PolarHBondContact OD1-N 3.47Å
38K51.8Low54.3Low143 Ų143100.6 Ų100.662%0.62257%0.566SS**  trans-120.6117.8-178.3-75.4-179.6-174.7170.80109.1D34 E36 G40 G41D34-K38 PolarHBondContact OD1-N 2.89Å; E36-K38 PolarHBondContact O-N 2.83Å; E36-K38 VanDerWaalsContact O-N 3.1Å; K38-G40 PolarHBondContact O-N 3.2Å; K38-G41 PolarHBondContact O-N 3.19Å
39P50.2Low54.4Low135 Ų135100.1 Ų100.188%0.87757%0.569SS**THydrogen-bonded Turntrans-60.3111176.524.9-32.1000109.2
40G51.5Low54.8Low29 Ų29101.8 Ų101.830%0.29957%0.572SS.*THydrogen-bonded Turntrans110.5-3.3177.100000116.5K38 L42 L43K38-G40 PolarHBondContact O-N 3.2Å; G40-L42 PolarHBondContact O-N 2.96Å; G40-L43 PolarHBondContact O-N 2.65Å
41G50.3Low55.6Low35 Ų35100.8 Ų100.836%0.36158%0.575SS.*G310 helixtrans-60.9-26.1175.300000113.5K38K38-G41 PolarHBondContact O-N 3.19Å
42L54.3Low56.7Low100 Ų10099.8 Ų99.852%0.52456%0.564SS.*G310 helixtrans-84.1-8.3176.7-149.588000115.4L33 G40L33-L42 HydrophobicContact CB-CD1 3.67Å; L33-L42 HydrophobicContact CB-CD2 3.46Å; L33-L42 VanDerWaalsContact CB-CD2 3.46Å; L33-L42 HydrophobicContact CB-CG 4Å; L33-L42 HydrophobicContact CD1-CD2 3.55Å; L33-L42 HydrophobicContact CD2-CD1 3.2Å; L33-L42 HydrophobicContact CD2-CD2 3.7Å; L33-L42 HydrophobicContact CD2-CG 3.89Å; L33-L42 HydrophobicContact CG-CD1 3.94Å; L33-L42 HydrophobicContact CG-CD2 3.68Å; L33-L42 HydrophobicContact CG-CG 4.31Å; G40-L42 PolarHBondContact O-N 2.96Å
43L56.4Low57.5Low88 Ų8899.7 Ų99.746%0.46156%0.559SS.*G310 helixtrans-92.20.6-179.7-73.6168000112.1G40 I46 I48G40-L43 PolarHBondContact O-N 2.65Å; L43-I46 VanDerWaalsContact O-CA 3.26Å; L43-I46 WeakPolarHBondContact O-CA 3.29Å; L43-I46 VanDerWaalsContact O-CB 3.29Å; L43-I46 WeakPolarHBondContact O-CB 3.26Å; L43-I46 PolarHBondContact O-N 3.04Å; L43-I48 HydrophobicContact CD1-CD1 3.5Å; L43-I48 HydrophobicContact CD1-CG1 4.4Å
44D52.7Low58.6Low102 Ų10298.1 Ų98.155%0.54555%0.551SS.*THydrogen-bonded Turntrans-58.5118.6173.8-104-26.1000110.1
45P60.9Low59.9Low120 Ų12095.7 Ų95.778%0.77955%0.545SS*.THydrogen-bonded Turncis-95.77.832.935.7-37.1000117.5K47P45-K47 PolarHBondContact O-N 3.24Å
46I58.9Low61.2Low56 Ų5692.5 Ų92.529%0.28753%0.533SS..  trans-92.379.8177.4-51179.5000110.1L43 I48 L54 K57L43-I46 VanDerWaalsContact O-CA 3.26Å; L43-I46 WeakPolarHBondContact O-CA 3.29Å; L43-I46 VanDerWaalsContact O-CB 3.29Å; L43-I46 WeakPolarHBondContact O-CB 3.26Å; L43-I46 PolarHBondContact O-N 3.04Å; I46-I48 PolarHBondContact O-N 3.43Å; I46-L54 HydrophobicContact CG2-CD1 3.46Å; I46-L54 VanDerWaalsContact CG2-CD1 3.46Å; I46-K57 HydrophobicContact CG2-CD 3.85Å
47K56.6Low62.6Low132 Ų13290.3 Ų90.357%0.57452%0.522SS*.  trans-57.3123.3163-66.8-173.6178.9-178.50110.3P45 D49P45-K47 PolarHBondContact O-N 3.24Å; K47-D49 PolarHBondContact O-N 3.33Å
48I60.9Low64Low75 Ų7592.3 Ų92.339%0.38552%0.515SS..  trans-9272.7175-51.9175.5000108.2L43 I46 L54L43-I48 HydrophobicContact CD1-CD1 3.5Å; L43-I48 HydrophobicContact CD1-CG1 4.4Å; I46-I48 PolarHBondContact O-N 3.43Å; I48-L54 HydrophobicContact CD1-CD2 3.88Å; I48-L54 HydrophobicContact CG1-CD1 4.2Å; I48-L54 HydrophobicContact CG1-CD2 3.98Å; I48-L54 HydrophobicContact CG2-CB 4.48Å; I48-L54 HydrophobicContact CG2-CD2 3.94Å
49D64.7Low65.5Low118 Ų11889.5 Ų89.563%0.63151%0.51SS*.SBendtrans-83-26.9174.6-57.4-43.5000111.5K47K47-D49 PolarHBondContact O-N 3.33Å
50N66.8Low67.1Low83 Ų8385.3 Ų85.344%0.44449%0.486SS..  trans-146.4126.9-176.6-78.8-73.8000110.5G52 R53 L54N50-G52 VanDerWaalsContact C-N 3.26Å; N50-G52 PolarHBondContact O-N 2.97Å; N50-R53 HydrophobicContact CB-CB 4.17Å; N50-R53 HydrophobicContact CB-CG 4.12Å; N50-R53 PolarHBondContact O-N 2.9Å; N50-R53 VanDerWaalsContact O-N 3.1Å; N50-L54 PolarHBondContact O-N 3.34Å
51P72.5Confident68.6Low107 Ų10791.2 Ų91.270%0.69550%0.504SS*.Hα-helixtrans-61.4-34.3-178.624.1-33.3000112.5L54 A55P51-L54 PolarHBondContact O-N 3.37Å; P51-A55 PolarHBondContact O-N 3.14Å
52G74.8Confident70.2Confident49 Ų4995.1 Ų95.151%0.50551%0.514SS..Hα-helixtrans-64.7-40.5175.200000113.2N50 A55 V56N50-G52 VanDerWaalsContact C-N 3.26Å; N50-G52 PolarHBondContact O-N 2.97Å; G52-A55 PolarHBondContact O-N 2.86Å; G52-V56 WeakPolarHBondContact O-CG2 3.41Å; G52-V56 PolarHBondContact O-N 3.38Å; G52-V56 VanDerWaalsContact O-N 3.14Å
53R70.2Confident71.6Confident177 Ų17794 Ų9467%0.66851%0.514SS*.Hα-helixtrans-69.6-35.7176.4-71.1-173.8177.6-177.4-0.5111.8N50 V56 K57N50-R53 HydrophobicContact CB-CB 4.17Å; N50-R53 HydrophobicContact CB-CG 4.12Å; N50-R53 PolarHBondContact O-N 2.9Å; N50-R53 VanDerWaalsContact O-N 3.1Å; R53-V56 PolarHBondContact O-N 3.09Å; R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 2.75Å
54L73.4Confident72.8Confident39 Ų3996 Ų9620%0.20453%0.525CS..Hα-helixtrans-62.5-47.5173.5178.764.1000111.1I46 I48 N50 P51 V56 K57 M58I46-L54 HydrophobicContact CG2-CD1 3.46Å; I46-L54 VanDerWaalsContact CG2-CD1 3.46Å; I48-L54 HydrophobicContact CD1-CD2 3.88Å; I48-L54 HydrophobicContact CG1-CD1 4.2Å; I48-L54 HydrophobicContact CG1-CD2 3.98Å; I48-L54 HydrophobicContact CG2-CB 4.48Å; I48-L54 HydrophobicContact CG2-CD2 3.94Å; N50-L54 PolarHBondContact O-N 3.34Å; P51-L54 PolarHBondContact O-N 3.37Å; L54-V56 VanDerWaalsContact C-N 3.29Å; L54-V56 PolarHBondContact O-N 3.06Å; L54-K57 WeakPolarHBondContact O-CB 3.49Å; L54-K57 PolarHBondContact O-N 3.1Å; L54-K57 VanDerWaalsContact O-N 3.09Å; L54-M58 HydrophobicContact CD1-CG 4.34Å; L54-M58 HydrophobicContact CG-CG 4.45Å; L54-M58 HydrophobicContact CG-SD 4.25Å; L54-M58 WeakPolarHBondContact O-CG 3.37Å; L54-M58 PolarHBondContact O-N 3.26Å
55A77Confident74Confident51 Ų5194.2 Ų94.242%0.42152%0.52SS..Hα-helixtrans-57.1-43.7177.600000111.5P51 G52 K57 M58 V59P51-A55 PolarHBondContact O-N 3.14Å; G52-A55 PolarHBondContact O-N 2.86Å; A55-K57 PolarHBondContact O-N 3.1Å; A55-M58 PolarHBondContact O-N 2.91Å; A55-V59 WeakPolarHBondContact O-CB 3.23Å; A55-V59 VanDerWaalsContact O-CG2 3.23Å; A55-V59 WeakPolarHBondContact O-CG2 3.43Å; A55-V59 PolarHBondContact O-N 3.33Å
56V80.4Confident75.1Confident102 Ų10295.7 Ų95.762%0.61852%0.515SS*.Hα-helixtrans-62.6-42.3175.7174.20000111.8G52 R53 L54 M58 V59 A60G52-V56 WeakPolarHBondContact O-CG2 3.41Å; G52-V56 PolarHBondContact O-N 3.38Å; G52-V56 VanDerWaalsContact O-N 3.14Å; R53-V56 PolarHBondContact O-N 3.09Å; L54-V56 VanDerWaalsContact C-N 3.29Å; L54-V56 PolarHBondContact O-N 3.06Å; V56-M58 PolarHBondContact O-N 3.27Å; V56-V59 PolarHBondContact O-N 3.35Å; V56-A60 VanDerWaalsContact O-CB 3.26Å; V56-A60 WeakPolarHBondContact O-CB 3.44Å; V56-A60 PolarHBondContact O-N 3.45Å
57K77.4Confident76.1Confident93 Ų9399.5 Ų99.540%0.40453%0.529SS..Hα-helixtrans-61.9-42.3175.3-73.7179.6178.4-178.30111.9I46 R53 L54 A55 A60 F61I46-K57 HydrophobicContact CG2-CD 3.85Å; R53-K57 WeakPolarHBondContact O-CG 3.39Å; R53-K57 PolarHBondContact O-N 2.75Å; L54-K57 WeakPolarHBondContact O-CB 3.49Å; L54-K57 PolarHBondContact O-N 3.1Å; L54-K57 VanDerWaalsContact O-N 3.09Å; A55-K57 PolarHBondContact O-N 3.1Å; K57-A60 PolarHBondContact O-N 3.45Å; K57-F61 WeakPolarHBondContact O-CB 3.43Å; K57-F61 PolarHBondContact O-N 3.28Å
58M81.4Confident77.2Confident104 Ų10499.5 Ų99.551%0.51253%0.531SS..Hα-helixtrans-66.1-44177.3-66.8-176.187.100111.8L54 A55 V56 F61 M62L54-M58 HydrophobicContact CD1-CG 4.34Å; L54-M58 HydrophobicContact CG-CG 4.45Å; L54-M58 HydrophobicContact CG-SD 4.25Å; L54-M58 WeakPolarHBondContact O-CG 3.37Å; L54-M58 PolarHBondContact O-N 3.26Å; A55-M58 PolarHBondContact O-N 2.91Å; V56-M58 PolarHBondContact O-N 3.27Å; M58-F61 PolarHBondContact O-N 3.49Å; M58-M62 WeakPolarHBondContact O-CG 3.36Å; M58-M62 PolarHBondContact O-N 2.89Å
59V84.7Confident78.4Confident84 Ų8499.3 Ų99.351%0.50954%0.535SS..Hα-helixtrans-63.1-45.2176.3171.70000110.5A55 V56 F61 M62 C63A55-V59 WeakPolarHBondContact O-CB 3.23Å; A55-V59 VanDerWaalsContact O-CG2 3.23Å; A55-V59 WeakPolarHBondContact O-CG2 3.43Å; A55-V59 PolarHBondContact O-N 3.33Å; V56-V59 PolarHBondContact O-N 3.35Å; V59-F61 VanDerWaalsContact C-N 3.35Å; V59-F61 PolarHBondContact O-N 3.48Å; V59-M62 PolarHBondContact O-N 3.41Å; V59-C63 WeakPolarHBondContact O-CB 3.45Å; V59-C63 PolarHBondContact O-N 2.84Å; V59-C63 PolarHBondContact O-SG 3.41Å
60A83Confident79.4Confident47 Ų47100 Ų10039%0.38853%0.533SS..Hα-helixtrans-60.4-43.8176.600000111.9V56 K57 C63 L64V56-A60 VanDerWaalsContact O-CB 3.26Å; V56-A60 WeakPolarHBondContact O-CB 3.44Å; V56-A60 PolarHBondContact O-N 3.45Å; K57-A60 PolarHBondContact O-N 3.45Å; A60-C63 PolarHBondContact O-N 2.94Å; A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.49Å
61F84.1Confident80.2Confident154 Ų15498.4 Ų98.468%0.67553%0.526SS*.Hα-helixtrans-61.6-45176-174.5-97.5000111.9K57 M58 V59 L64 S65K57-F61 WeakPolarHBondContact O-CB 3.43Å; K57-F61 PolarHBondContact O-N 3.28Å; M58-F61 PolarHBondContact O-N 3.49Å; V59-F61 VanDerWaalsContact C-N 3.35Å; V59-F61 PolarHBondContact O-N 3.48Å; F61-L64 PolarHBondContact O-N 3.04Å; F61-S65 PolarHBondContact O-N 3.44Å; F61-S65 VanDerWaalsContact O-N 3.1Å; F61-S65 PolarHBondContact O-OG 3.35Å
62M84Confident80.9Confident116 Ų11696.4 Ų96.457%0.57151%0.512SS*.Hα-helixtrans-60.9-48.4174.9-73.6-175-177.500111.3M58 V59 L64 S65 F66M58-M62 WeakPolarHBondContact O-CG 3.36Å; M58-M62 PolarHBondContact O-N 2.89Å; V59-M62 PolarHBondContact O-N 3.41Å; M62-L64 PolarHBondContact O-N 3.25Å; M62-S65 PolarHBondContact O-N 3.23Å; M62-S65 PolarHBondContact O-OG 2.96Å; M62-F66 WeakPolarHBondContact O-CB 3.36Å; M62-F66 PolarHBondContact O-N 2.84Å
63C83.9Confident81.5Confident76 Ų7698 Ų9851%0.51451%0.511SS..Hα-helixtrans-58.7-44.6179.1-71.80000112.4V59 A60 S65 F66 F67V59-C63 WeakPolarHBondContact O-CB 3.45Å; V59-C63 PolarHBondContact O-N 2.84Å; V59-C63 PolarHBondContact O-SG 3.41Å; A60-C63 PolarHBondContact O-N 2.94Å; C63-S65 PolarHBondContact O-N 3.49Å; C63-F66 PolarHBondContact O-N 2.89Å; C63-F67 WeakPolarHBondContact O-CB 3.39Å; C63-F67 PolarHBondContact O-N 3.34Å
64L80.3Confident82.3Confident131 Ų13195.8 Ų95.869%0.68650%0.504SS*.Hα-helixtrans-62.6-42.9177.9-72172.5000111.8A60 F61 M62 Q68A60-L64 WeakPolarHBondContact O-CG 3.26Å; A60-L64 PolarHBondContact O-N 3.49Å; F61-L64 PolarHBondContact O-N 3.04Å; M62-L64 PolarHBondContact O-N 3.25Å; L64-Q68 PolarHBondContact O-N 3.48Å
65S78.8Confident83.1Confident64 Ų6499 Ų9945%0.44852%0.521SS..Hα-helixtrans-66.8-38177.2700000112.9F61 M62 C63F61-S65 PolarHBondContact O-N 3.44Å; F61-S65 VanDerWaalsContact O-N 3.1Å; F61-S65 PolarHBondContact O-OG 3.35Å; M62-S65 PolarHBondContact O-N 3.23Å; M62-S65 PolarHBondContact O-OG 2.96Å; C63-S65 PolarHBondContact O-N 3.49Å
66F82.5Confident83.5Confident152 Ų152103.1 Ų103.167%0.66753%0.531SS*.Hα-helixtrans-77.2-30.3-178.9-122.8-95.6000112.7M62 C63 P69 F70M62-F66 WeakPolarHBondContact O-CB 3.36Å; M62-F66 PolarHBondContact O-N 2.84Å; C63-F66 PolarHBondContact O-N 2.89Å; F66-P69 WeakPolarHBondContact O-CD 3.26Å; F66-P69 WeakPolarHBondContact O-CG 3.17Å; F66-F70 HydrophobicContact CD1-CE2 4.22Å; F66-F70 WeakPolarHBondContact O-CD2 3.34Å; F66-F70 WeakPolarHBondContact O-CE2 3.37Å
67F81.3Confident83.8Confident135 Ų135104.9 Ų104.959%0.59254%0.536SS*.Hα-helixtrans-76.3-30.8-176.1-167.1-118.2000112.8C63 F70 V71C63-F67 WeakPolarHBondContact O-CB 3.39Å; C63-F67 PolarHBondContact O-N 3.34Å; F67-F70 PolarHBondContact O-N 2.7Å; F67-F70 VanDerWaalsContact O-N 3.08Å; F67-V71 HydrophobicContact CD1-CG2 3.22Å; F67-V71 HydrophobicContact CD2-CG2 4.4Å; F67-V71 HydrophobicContact CE1-CG2 3.01Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CG-CG2 3.94Å; F67-V71 HydrophobicContact CZ-CG2 3.56Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 3.44Å
68Q79.7Confident83.9Confident133 Ų133109.3 Ų109.362%0.62155%0.55SS**Hα-helixtrans-50.2-50.9-177.3-170.1175.2-23.200114.6L64 F70 V71 V72L64-Q68 PolarHBondContact O-N 3.48Å; Q68-F70 VanDerWaalsContact C-N 3.31Å; Q68-F70 PolarHBondContact O-N 2.94Å; Q68-V71 PolarHBondContact O-N 3.01Å; Q68-V72 HydrophobicContact CG-CG2 4.5Å; Q68-V72 VanDerWaalsContact O-CG2 3.26Å; Q68-V72 WeakPolarHBondContact O-CG2 3.28Å; Q68-V72 PolarHBondContact O-N 3.35Å
69P84.8Confident82.9Confident71 Ų71107.8 Ų107.846%0.46156%0.562SS.*Hα-helixtrans-62.7-34.8178.923.5-35.1000113.4F66 T73F66-P69 WeakPolarHBondContact O-CD 3.26Å; F66-P69 WeakPolarHBondContact O-CG 3.17Å; P69-T73 WeakPolarHBondContact O-CB 3.17Å; P69-T73 PolarHBondContact O-N 2.75Å; P69-T73 PolarHBondContact O-OG1 3.29Å
70F86.2Confident81.2Confident132 Ų132109.7 Ų109.758%0.57960%0.598SS**Hα-helixtrans-70.9-40.5178.8-63.8-77000112F66 F67 Q68 T73 Y74F66-F70 HydrophobicContact CD1-CE2 4.22Å; F66-F70 WeakPolarHBondContact O-CD2 3.34Å; F66-F70 WeakPolarHBondContact O-CE2 3.37Å; F67-F70 PolarHBondContact O-N 2.7Å; F67-F70 VanDerWaalsContact O-N 3.08Å; Q68-F70 VanDerWaalsContact C-N 3.31Å; Q68-F70 PolarHBondContact O-N 2.94Å; F70-T73 PolarHBondContact O-N 2.98Å; F70-Y74 VanDerWaalsContact O-CB 3.28Å; F70-Y74 WeakPolarHBondContact O-CB 3.46Å; F70-Y74 PolarHBondContact O-N 3.47Å
71V84.5Confident81.1Confident50 Ų50112.8 Ų112.830%0.30361%0.608SS.*Hα-helixtrans-63.4-46.6175.2177.20000110.7F67 Q68 T73 Y74 L75F67-V71 HydrophobicContact CD1-CG2 3.22Å; F67-V71 HydrophobicContact CD2-CG2 4.4Å; F67-V71 HydrophobicContact CE1-CG2 3.01Å; F67-V71 HydrophobicContact CE2-CG2 4.22Å; F67-V71 HydrophobicContact CG-CG2 3.94Å; F67-V71 HydrophobicContact CZ-CG2 3.56Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 3.44Å; Q68-V71 PolarHBondContact O-N 3.01Å; V71-T73 VanDerWaalsContact C-N 3.34Å; V71-T73 PolarHBondContact O-N 3.29Å; V71-Y74 PolarHBondContact O-N 3.36Å; V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.43Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.05Å
72V85.9Confident81Confident65 Ų65110.6 Ų110.639%0.39461%0.605SS.*Hα-helixtrans-59.9-47.9178.1172.80000110.1Q68 Y74 L75 H76Q68-V72 HydrophobicContact CG-CG2 4.5Å; Q68-V72 VanDerWaalsContact O-CG2 3.26Å; Q68-V72 WeakPolarHBondContact O-CG2 3.28Å; Q68-V72 PolarHBondContact O-N 3.35Å; V72-Y74 VanDerWaalsContact C-N 3.35Å; V72-Y74 PolarHBondContact O-N 3.08Å; V72-L75 PolarHBondContact O-N 2.86Å; V72-H76 VanDerWaalsContact CG1-CE1 3.46Å; V72-H76 WeakPolarHBondContact CG1-CE1 3.5Å; V72-H76 WeakPolarHBondContact CG1-ND1 3.33Å; V72-H76 PolarHBondContact O-N 2.97Å; V72-H76 PolarHBondContact O-ND1 3Å
73T88.1Confident80.8Confident81 Ų81110.3 Ų110.350%0.49761%0.607SS.*Hα-helixtrans-61.3-43.2177.9-54.50000111.7P69 F70 V71 L75 H76 L77P69-T73 WeakPolarHBondContact O-CB 3.17Å; P69-T73 PolarHBondContact O-N 2.75Å; P69-T73 PolarHBondContact O-OG1 3.29Å; F70-T73 PolarHBondContact O-N 2.98Å; V71-T73 VanDerWaalsContact C-N 3.34Å; V71-T73 PolarHBondContact O-N 3.29Å; T73-L75 PolarHBondContact O-N 2.92Å; T73-H76 PolarHBondContact O-N 3.27Å; T73-L77 HydrophobicContact CG2-CD1 4.08Å; T73-L77 WeakPolarHBondContact O-CG 3.38Å; T73-L77 PolarHBondContact O-N 3Å
74Y87.7Confident80.6Confident131 Ų131112.4 Ų112.451%0.51461%0.612SS.*Hα-helixtrans-61.5-43.1177.2176.9-97.2000112.3F70 V71 V72 L77 R78F70-Y74 VanDerWaalsContact O-CB 3.28Å; F70-Y74 WeakPolarHBondContact O-CB 3.46Å; F70-Y74 PolarHBondContact O-N 3.47Å; V71-Y74 PolarHBondContact O-N 3.36Å; V72-Y74 VanDerWaalsContact C-N 3.35Å; V72-Y74 PolarHBondContact O-N 3.08Å; Y74-L77 PolarHBondContact O-N 3.39Å; Y74-R78 WeakPolarHBondContact O-CB 3.36Å; Y74-R78 PolarHBondContact O-N 3.44Å; Y74-R78 PolarHBondContact OH-NH1 2.96Å
75L88.6Confident80.7Confident106 Ų106111.2 Ų111.256%0.55561%0.607SS**Hα-helixtrans-64.7-40.1176.1-71172.8000112V71 V72 T73 L77 R78 G79V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.43Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.05Å; V72-L75 PolarHBondContact O-N 2.86Å; T73-L75 PolarHBondContact O-N 2.92Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-R78 PolarHBondContact O-N 3.28Å; L75-G79 PolarHBondContact O-N 3.35Å
76H86.5Confident80.8Confident139 Ų139114.3 Ų114.364%0.64462%0.618SS**Hα-helixtrans-65.1-36.7175.8-77.278.1000112.4V72 T73 G80V72-H76 VanDerWaalsContact CG1-CE1 3.46Å; V72-H76 WeakPolarHBondContact CG1-CE1 3.5Å; V72-H76 WeakPolarHBondContact CG1-ND1 3.33Å; V72-H76 PolarHBondContact O-N 2.97Å; V72-H76 PolarHBondContact O-ND1 3Å; T73-H76 PolarHBondContact O-N 3.27Å; H76-G80 PolarHBondContact O-N 3.48Å
77L85.7Confident80.7Confident138 Ų138111.6 Ų111.672%0.72362%0.615SS**Hα-helixtrans-75.3-28.1177.4-72.4170.1000113.5T73 Y74 L75T73-L77 HydrophobicContact CG2-CD1 4.08Å; T73-L77 WeakPolarHBondContact O-CG 3.38Å; T73-L77 PolarHBondContact O-N 3Å; Y74-L77 PolarHBondContact O-N 3.39Å; L75-L77 VanDerWaalsContact C-N 3.34Å
78R79.7Confident80.6Confident186 Ų186109.8 Ų109.870%0.70262%0.616SS**Hα-helixtrans-89-22.1-179.2-171.9172.5175.7175.2-4.3113.2Y74 L75Y74-R78 WeakPolarHBondContact O-CB 3.36Å; Y74-R78 PolarHBondContact O-N 3.44Å; Y74-R78 PolarHBondContact OH-NH1 2.96Å; L75-R78 PolarHBondContact O-N 3.28Å
79G61.3Low80.7Confident73 Ų73107.9 Ų107.975%0.75362%0.616SS**  trans-111.28.1-178.500000115.4L75L75-G79 PolarHBondContact O-N 3.35Å
80G49.2Very low80.3Confident123 Ų123111.3 Ų111.3100%1.26863%0.63SS**  trans-97.70165.900000110.8H76H76-G80 PolarHBondContact O-N 3.48Å

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