A0A5K4F7L2_SCHMA Loading...

Cytochrome c oxidase subunit II

AlphaFold DB , UniProt , Accession A0A5K4F7L2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 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
1M53.3Low70.5Confident242 Ų242109.3 Ų109.3100%1.19260%0.604SS**  0114.80-165.7156.5-144.300106.7
2I73.3Confident70.3Confident160 Ų160112.8 Ų112.882%0.82161%0.609SS**PPolyproline II helixtrans-74.4128-176.4-60.3163.1000106.9L4I2-L4 PolarHBondContact O-N 3.22Å
3P68.6Low69.9Low85 Ų85111.8 Ų111.855%0.55260%0.603SS**PPolyproline II helixtrans-61.6131.617625.2-31.9000109.2
4L77.6Confident69.5Low118 Ų118116.4 Ų116.462%0.61862%0.615SS**PPolyproline II helixtrans-70.6149.5-178.7-149.8102000108.5I2 S6 D7I2-L4 PolarHBondContact O-N 3.22Å; L4-S6 VanDerWaalsContact CD2-OG 3.23Å; L4-S6 WeakPolarHBondContact CD2-OG 3.49Å; L4-S6 PolarHBondContact O-N 3.01Å; L4-D7 PolarHBondContact N-OD2 2.91Å; L4-D7 WeakPolarHBondContact O-CB 3.3Å; L4-D7 PolarHBondContact O-N 3.35Å
5H73.5Confident69.2Low147 Ų147113.6 Ų113.668%0.68161%0.608SS**Hα-helixtrans-53.5-31.3-179.9-178.771.9000112.8D7 I8 V9H5-D7 VanDerWaalsContact C-N 3.31Å; H5-D7 PolarHBondContact O-N 3.17Å; H5-I8 PolarHBondContact O-N 3.06Å; H5-V9 WeakPolarHBondContact O-CG2 3.48Å; H5-V9 PolarHBondContact O-N 3.28Å; H5-V9 VanDerWaalsContact O-N 3.16Å
6S72.5Confident69Low61 Ų61112.3 Ų112.343%0.42760%0.597SS.*Hα-helixtrans-59-37.6174.454.50000113.6L4 V9 S10L4-S6 VanDerWaalsContact CD2-OG 3.23Å; L4-S6 WeakPolarHBondContact CD2-OG 3.49Å; L4-S6 PolarHBondContact O-N 3.01Å; S6-V9 PolarHBondContact O-N 2.94Å; S6-S10 WeakPolarHBondContact O-CB 3.47Å; S6-S10 PolarHBondContact O-N 3.09Å
7D74.1Confident68.8Low91 Ų91113.4 Ų113.449%0.48760%0.595SS.*Hα-helixtrans-76.1-33.3-174.1-50.7-27.3000110.6L4 H5 S11L4-D7 PolarHBondContact N-OD2 2.91Å; L4-D7 WeakPolarHBondContact O-CB 3.3Å; L4-D7 PolarHBondContact O-N 3.35Å; H5-D7 VanDerWaalsContact C-N 3.31Å; H5-D7 PolarHBondContact O-N 3.17Å; D7-S11 PolarHBondContact O-N 3.08Å; D7-S11 VanDerWaalsContact O-N 3.1Å; D7-S11 PolarHBondContact O-OG 2.96Å
8I73.3Confident69Low83 Ų83111.9 Ų111.943%0.42659%0.588SS.*Hα-helixtrans-69.2-39.7174.8-51.8175000110.5H5 S11 K12H5-I8 PolarHBondContact O-N 3.06Å; I8-S11 PolarHBondContact O-OG 2.98Å; I8-K12 WeakPolarHBondContact O-CB 3.48Å; I8-K12 VanDerWaalsContact O-CG 3.3Å; I8-K12 WeakPolarHBondContact O-CG 3.43Å; I8-K12 PolarHBondContact O-N 3.07Å; I8-K12 VanDerWaalsContact O-N 3.16Å
9V73.4Confident69.2Low62 Ų62111.5 Ų111.538%0.37659%0.593SS.*Hα-helixtrans-70.3-41.4176.8174.90000111H5 S6 S11 K12 L13H5-V9 WeakPolarHBondContact O-CG2 3.48Å; H5-V9 PolarHBondContact O-N 3.28Å; H5-V9 VanDerWaalsContact O-N 3.16Å; S6-V9 PolarHBondContact O-N 2.94Å; V9-S11 PolarHBondContact O-N 3.26Å; V9-K12 WeakPolarHBondContact O-CB 3.49Å; V9-K12 PolarHBondContact O-N 2.94Å; V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CG 3.5Å; V9-L13 PolarHBondContact O-N 3.22Å
10S66.5Low69.6Low81 Ų81109.7 Ų109.757%0.56660%0.595SS**Hα-helixtrans-63.9-41.8179.4-157.90000112.4S6 L13 F14S6-S10 WeakPolarHBondContact O-CB 3.47Å; S6-S10 PolarHBondContact O-N 3.09Å; S10-L13 PolarHBondContact O-N 3.07Å; S10-F14 WeakPolarHBondContact O-CB 3.42Å; S10-F14 PolarHBondContact O-N 3.48Å
11S68.8Low69.9Low72 Ų72107.6 Ų107.650%0.50358%0.582SS.*Hα-helixtrans-66.2-35.8174.154.10000113.4D7 I8 V9 S15D7-S11 PolarHBondContact O-N 3.08Å; D7-S11 VanDerWaalsContact O-N 3.1Å; D7-S11 PolarHBondContact O-OG 2.96Å; I8-S11 PolarHBondContact O-OG 2.98Å; V9-S11 PolarHBondContact O-N 3.26Å; S11-S15 PolarHBondContact O-N 3.43Å
12K69Low70.9Confident151 Ų15198.7 Ų98.766%0.65754%0.539SS*.Hα-helixtrans-64.9-45.1173.4-80.4-110.5-175.3176.80112.6I8 V9 F14 S15 E16I8-K12 WeakPolarHBondContact O-CB 3.48Å; I8-K12 VanDerWaalsContact O-CG 3.3Å; I8-K12 WeakPolarHBondContact O-CG 3.43Å; I8-K12 PolarHBondContact O-N 3.07Å; I8-K12 VanDerWaalsContact O-N 3.16Å; V9-K12 WeakPolarHBondContact O-CB 3.49Å; V9-K12 PolarHBondContact O-N 2.94Å; K12-F14 VanDerWaalsContact C-N 3.32Å; K12-F14 PolarHBondContact O-N 3.28Å; K12-S15 PolarHBondContact O-N 2.95Å; K12-E16 PolarHBondContact O-N 3.25Å
13L65Low71.2Confident101 Ų10199.9 Ų99.953%0.52954%0.538SS..Hα-helixtrans-65.7-36.2177.8-71.4174.6000112V9 S10 S15 E16 K17V9-L13 HydrophobicContact CG1-CD1 4.05Å; V9-L13 HydrophobicContact CG1-CG 4.37Å; V9-L13 WeakPolarHBondContact O-CG 3.5Å; V9-L13 PolarHBondContact O-N 3.22Å; S10-L13 PolarHBondContact O-N 3.07Å; L13-S15 VanDerWaalsContact C-N 3.34Å; L13-E16 PolarHBondContact O-N 3.16Å; L13-K17 PolarHBondContact O-N 3.2Å
14F64.7Low71.9Confident176 Ų176104.5 Ų104.577%0.77255%0.549SS*.Hα-helixtrans-65.5-37.9174-161.1-92.6000111.9S10 K12S10-F14 WeakPolarHBondContact O-CB 3.42Å; S10-F14 PolarHBondContact O-N 3.48Å; K12-F14 VanDerWaalsContact C-N 3.32Å; K12-F14 PolarHBondContact O-N 3.28Å
15S64.8Low72.1Confident74 Ų74103.5 Ų103.552%0.51754%0.544SS..Hα-helixtrans-70.8-27.8173.6-173.20000113.4S11 K12 L13S11-S15 PolarHBondContact O-N 3.43Å; K12-S15 PolarHBondContact O-N 2.95Å; L13-S15 VanDerWaalsContact C-N 3.34Å
16E64.8Low72.5Confident92 Ų92103.7 Ų103.743%0.4355%0.55SS.*Hα-helixtrans-78.8-25179.5-167.9172.6142.200112.8K12 L13 D18 I21K12-E16 PolarHBondContact O-N 3.25Å; L13-E16 PolarHBondContact O-N 3.16Å; E16-D18 PolarHBondContact O-N 3.38Å; E16-I21 HydrophobicContact CG-CG2 4Å
17K65.9Low72.9Confident131 Ų131104.8 Ų104.857%0.5755%0.551SS**THydrogen-bonded Turntrans-717.9172.5-81.2-166.5168.5-1710114.1L13 D30L13-K17 PolarHBondContact O-N 3.2Å; K17-D30 IonicContact NZ-OD2 2.7Å; K17-D30 PolarHBondContact NZ-OD2 3.22Å
18D72.5Confident73.2Confident87 Ų87104.6 Ų104.647%0.46556%0.562SS.*  trans-58.5130.2169.7-90.1-28.3000110.7E16 A20 I21 I22E16-D18 PolarHBondContact O-N 3.38Å; D18-A20 PolarHBondContact O-N 3.48Å; D18-I21 HydrophobicContact CB-CB 4.46Å; D18-I21 HydrophobicContact CB-CG1 4.07Å; D18-I21 PolarHBondContact O-N 2.97Å; D18-I22 PolarHBondContact O-N 3.43Å
19P73.6Confident73.6Confident104 Ų104105.3 Ų105.368%0.67557%0.572SS**Hα-helixtrans-61.2-24.3-173.224.4-34.5000112.9K23P19-K23 WeakPolarHBondContact O-CB 3.42Å; P19-K23 PolarHBondContact O-N 3.02Å
20A77.2Confident74Confident76 Ų76108.6 Ų108.663%0.62859%0.587SS**Hα-helixtrans-72.8-35.2175.100000113.1D18 K24D18-A20 PolarHBondContact O-N 3.48Å; A20-K24 WeakPolarHBondContact O-CB 3.23Å; A20-K24 PolarHBondContact O-N 3.1Å
21I75.2Confident74.8Confident65 Ų65109.8 Ų109.833%0.33359%0.586SS.*Hα-helixtrans-74.7-45.3179-62.9-73.4000110E16 D18 K23 K24 L25E16-I21 HydrophobicContact CG-CG2 4Å; D18-I21 HydrophobicContact CB-CB 4.46Å; D18-I21 HydrophobicContact CB-CG1 4.07Å; D18-I21 PolarHBondContact O-N 2.97Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3.39Å; I21-K24 PolarHBondContact O-N 2.9Å; I21-L25 HydrophobicContact CG2-CD1 3.56Å; I21-L25 HydrophobicContact CG2-CG 4.32Å; I21-L25 PolarHBondContact O-N 3.05Å
22I75.3Confident75.7Confident55 Ų55114 Ų11428%0.28259%0.591SS.*Hα-helixtrans-54.5-44.9176.8-62.6179.8000110.7D18 N26 L27D18-I22 PolarHBondContact O-N 3.43Å; I22-N26 PolarHBondContact O-N 3.16Å; I22-N26 VanDerWaalsContact O-N 3.08Å; I22-L27 HydrophobicContact CG2-CB 3.93Å; I22-L27 PolarHBondContact O-N 3.42Å; I22-L27 VanDerWaalsContact O-N 3.09Å
23K78.9Confident76.8Confident186 Ų186114.8 Ų114.881%0.80960%0.602SS**Hα-helixtrans-66.9-37.8178.4-169.3177.6-177.8-178.90112.9P19 I21P19-K23 WeakPolarHBondContact O-CB 3.42Å; P19-K23 PolarHBondContact O-N 3.02Å; I21-K23 VanDerWaalsContact C-N 3.26Å; I21-K23 PolarHBondContact O-N 3.39Å
24K82.5Confident78.1Confident181 Ų181112.9 Ų112.979%0.78759%0.593SS**Hα-helixtrans-70.9-36.2179.9-173.4179.7178.8-173.60112.4A20 I21A20-K24 WeakPolarHBondContact O-CB 3.23Å; A20-K24 PolarHBondContact O-N 3.1Å; I21-K24 PolarHBondContact O-N 2.9Å
25L82.9Confident79.4Confident98 Ų98111 Ų11151%0.51358%0.582SS.*Hα-helixtrans-90.8-0.5-178.9-67.4172.3000113.2I21 L27I21-L25 HydrophobicContact CG2-CD1 3.56Å; I21-L25 HydrophobicContact CG2-CG 4.32Å; I21-L25 PolarHBondContact O-N 3.05Å; L25-L27 HydrophobicContact CB-CD1 3.36Å; L25-L27 HydrophobicContact CD1-CD1 4.21Å; L25-L27 HydrophobicContact CG-CD1 4.42Å; L25-L27 PolarHBondContact O-N 2.7Å
26N82.1Confident80.8Confident151 Ų151110 Ų11081%0.80758%0.578SS**THydrogen-bonded Turntrans51.441-176.2-165.833.7000112.4I22I22-N26 PolarHBondContact O-N 3.16Å; I22-N26 VanDerWaalsContact O-N 3.08Å
27L81.3Confident82.2Confident84 Ų84111 Ų11144%0.4458%0.582SS.*PPolyproline II helixtrans-71.1139.4177.3-102.470.1000109.7I22 L25I22-L27 HydrophobicContact CG2-CB 3.93Å; I22-L27 PolarHBondContact O-N 3.42Å; I22-L27 VanDerWaalsContact O-N 3.09Å; L25-L27 HydrophobicContact CB-CD1 3.36Å; L25-L27 HydrophobicContact CD1-CD1 4.21Å; L25-L27 HydrophobicContact CG-CD1 4.42Å; L25-L27 PolarHBondContact O-N 2.7Å
28A79.3Confident83.6Confident86 Ų86108.2 Ų108.271%0.71157%0.574SS**PPolyproline II helixtrans-62.1143.1173.900000110.2
29P81.6Confident84.7Confident99 Ų99108.7 Ų108.764%0.64357%0.572SS**PPolyproline II helixtrans-62.1144.3172.825.7-31.9000110.1I31P29-I31 HydrophobicContact CG-CD1 4.46Å; P29-I31 PolarHBondContact O-N 3.13Å; P29-I31 VanDerWaalsContact O-N 3.13Å
30D81.3Confident85.8Confident130 Ų130108.1 Ų108.170%0.69556%0.56SS**  trans-66.6111.9176.6-136.4-10.3000108.4K17K17-D30 IonicContact NZ-OD2 2.7Å; K17-D30 PolarHBondContact NZ-OD2 3.22Å
31I84.3Confident86.7Confident106 Ų106109.7 Ų109.754%0.54456%0.557SS.*  trans-92.4133.3176.1-57.8-58.4000107.6P29 Y35P29-I31 HydrophobicContact CG-CD1 4.46Å; P29-I31 PolarHBondContact O-N 3.13Å; P29-I31 VanDerWaalsContact O-N 3.13Å; I31-Y35 HydrophobicContact CG2-CG 4.17Å
32R87.9Confident87.7Confident160 Ų160111 Ų11160%0.60457%0.568SS**  trans-68.6139.3178-59.9166.151162.92.1110.1D34 Y35R32-D34 WeakPolarHBondContact CB-OD1 3.27Å; R32-D34 IonicContact CZ-OD1 3.39Å; R32-D34 IonicContact CZ-OD2 3.62Å; R32-D34 IonicContact NE-OD1 3.2Å; R32-D34 PolarHBondContact NE-OD1 3.43Å; R32-D34 IonicContact NE-OD2 2.81Å; R32-D34 IonicContact NH2-OD1 2.68Å; R32-D34 PolarHBondContact NH2-OD1 2.81Å; R32-D34 IonicContact NH2-OD2 3.82Å; R32-D34 PolarHBondContact NH2-OD2 2.95Å; R32-D34 PolarHBondContact O-N 3.09Å; R32-Y35 WeakPolarHBondContact O-CB 3.17Å; R32-Y35 PolarHBondContact O-N 2.68Å; R32-Y35 VanDerWaalsContact O-N 3.09Å
33D90.8Very high88.7Confident168 Ų168111.1 Ų111.190%0.89857%0.569SS**THydrogen-bonded Turntrans-60.4-28.5177.6-72.1-17.4000112.7Y35D33-Y35 VanDerWaalsContact C-N 3.29Å; D33-Y35 PolarHBondContact O-N 3.2Å
34D92.9Very high89.6Confident62 Ų62110.1 Ų110.133%0.33256%0.56SS.*THydrogen-bonded Turntrans-88.112.4179.669.9-26.1000114.2R32 A36 E37 L38R32-D34 WeakPolarHBondContact CB-OD1 3.27Å; R32-D34 IonicContact CZ-OD1 3.39Å; R32-D34 IonicContact CZ-OD2 3.62Å; R32-D34 IonicContact NE-OD1 3.2Å; R32-D34 PolarHBondContact NE-OD1 3.43Å; R32-D34 IonicContact NE-OD2 2.81Å; R32-D34 IonicContact NH2-OD1 2.68Å; R32-D34 PolarHBondContact NH2-OD1 2.81Å; R32-D34 IonicContact NH2-OD2 3.82Å; R32-D34 PolarHBondContact NH2-OD2 2.95Å; R32-D34 PolarHBondContact O-N 3.09Å; D34-A36 VanDerWaalsContact C-N 3.29Å; D34-A36 PolarHBondContact O-N 3.2Å; D34-E37 VanDerWaalsContact C-OE2 3.28Å; D34-E37 VanDerWaalsContact CA-OE2 3.27Å; D34-E37 WeakPolarHBondContact CA-OE2 3.14Å; D34-L38 WeakPolarHBondContact O-CG 3.27Å; D34-L38 PolarHBondContact O-N 2.91Å
35Y92.5Very high90.3Very high137 Ų137105.1 Ų105.154%0.53755%0.545SS..Hα-helixtrans-62.2-36.8-177.7177.5-98000112.4I31 R32 D33 F39I31-Y35 HydrophobicContact CG2-CG 4.17Å; R32-Y35 WeakPolarHBondContact O-CB 3.17Å; R32-Y35 PolarHBondContact O-N 2.68Å; R32-Y35 VanDerWaalsContact O-N 3.09Å; D33-Y35 VanDerWaalsContact C-N 3.29Å; D33-Y35 PolarHBondContact O-N 3.2Å; Y35-F39 VanDerWaalsContact O-CB 3.27Å; Y35-F39 WeakPolarHBondContact O-CB 3.29Å; Y35-F39 PolarHBondContact O-N 2.73Å
36A92.9Very high91Very high53 Ų53103.3 Ų103.344%0.43854%0.54SS..Hα-helixtrans-64.7-45.9-177.300000111.7D34 F39 Q40D34-A36 VanDerWaalsContact C-N 3.29Å; D34-A36 PolarHBondContact O-N 3.2Å; A36-F39 PolarHBondContact O-N 3.4Å; A36-Q40 PolarHBondContact O-N 3.03Å; A36-Q40 VanDerWaalsContact O-N 3.09Å
37E95.4Very high91.7Very high111 Ų11199.4 Ų99.452%0.51952%0.519SS..Hα-helixtrans-64.9-47179.6-64.479.2-178.100110.9D34 F39 Q40 I41D34-E37 VanDerWaalsContact C-OE2 3.28Å; D34-E37 VanDerWaalsContact CA-OE2 3.27Å; D34-E37 WeakPolarHBondContact CA-OE2 3.14Å; E37-F39 VanDerWaalsContact C-N 3.33Å; E37-F39 PolarHBondContact O-N 3.43Å; E37-Q40 PolarHBondContact O-N 3.46Å; E37-I41 WeakPolarHBondContact O-CG1 3.41Å; E37-I41 PolarHBondContact O-N 2.96Å
38L95Very high92.5Very high74 Ų7497.9 Ų97.939%0.38752%0.518SS..Hα-helixtrans-62.8-39.9178.3-71.2175.2000112.1D34 T42D34-L38 WeakPolarHBondContact O-CG 3.27Å; D34-L38 PolarHBondContact O-N 2.91Å; L38-T42 VanDerWaalsContact O-CB 3.29Å; L38-T42 WeakPolarHBondContact O-CB 3.29Å; L38-T42 PolarHBondContact O-N 3.34Å; L38-T42 PolarHBondContact O-OG1 3.22Å
39F95Very high93.4Very high97 Ų9798.8 Ų98.843%0.42551%0.511SS..Hα-helixtrans-62.9-46.8177.3178.6-104.2000111.4Y35 A36 E37 T42 L43Y35-F39 VanDerWaalsContact O-CB 3.27Å; Y35-F39 WeakPolarHBondContact O-CB 3.29Å; Y35-F39 PolarHBondContact O-N 2.73Å; A36-F39 PolarHBondContact O-N 3.4Å; E37-F39 VanDerWaalsContact C-N 3.33Å; E37-F39 PolarHBondContact O-N 3.43Å; F39-T42 PolarHBondContact O-N 3.09Å; F39-L43 HydrophobicContact CE1-CD1 3.77Å; F39-L43 HydrophobicContact CZ-CD1 3.71Å; F39-L43 VanDerWaalsContact O-CB 3.23Å; F39-L43 WeakPolarHBondContact O-CB 3.32Å; F39-L43 PolarHBondContact O-N 3.05Å
40Q96.6Very high94.2Very high91 Ų9199 Ų9943%0.42551%0.505SS..Hα-helixtrans-62.5-47.2179.4-113.866.781.200112.4A36 E37 T42 L43 W44A36-Q40 PolarHBondContact O-N 3.03Å; A36-Q40 VanDerWaalsContact O-N 3.09Å; E37-Q40 PolarHBondContact O-N 3.46Å; Q40-T42 VanDerWaalsContact C-N 3.33Å; Q40-T42 PolarHBondContact O-N 3.44Å; Q40-L43 PolarHBondContact O-N 3.38Å; Q40-W44 PolarHBondContact O-N 2.92Å
41I97.2Very high95Very high109 Ų10998.4 Ų98.456%0.55950%0.501SS*.Hα-helixtrans-62.3-44.4-179.8-66.7166.1000110.3E37 T45E37-I41 WeakPolarHBondContact O-CG1 3.41Å; E37-I41 PolarHBondContact O-N 2.96Å; I41-T45 WeakPolarHBondContact O-CB 3.23Å; I41-T45 PolarHBondContact O-N 3.47Å; I41-T45 PolarHBondContact O-OG1 3.43Å
42T96.4Very high95.6Very high92 Ų9297.7 Ų97.756%0.56450%0.502SS*.Hα-helixtrans-65.5-43.8-179.8-55.10000111.5L38 F39 Q40 S46L38-T42 VanDerWaalsContact O-CB 3.29Å; L38-T42 WeakPolarHBondContact O-CB 3.29Å; L38-T42 PolarHBondContact O-N 3.34Å; L38-T42 PolarHBondContact O-OG1 3.22Å; F39-T42 PolarHBondContact O-N 3.09Å; Q40-T42 VanDerWaalsContact C-N 3.33Å; Q40-T42 PolarHBondContact O-N 3.44Å; T42-S46 VanDerWaalsContact O-CB 3.32Å; T42-S46 WeakPolarHBondContact O-CB 3.36Å; T42-S46 PolarHBondContact O-N 3.42Å
43L96.8Very high96.1Very high58 Ų5895 Ų9530%0.30450%0.503SS..Hα-helixtrans-60.7-52.5179.7-176.5157.1000111F39 Q40 S46 I47F39-L43 HydrophobicContact CE1-CD1 3.77Å; F39-L43 HydrophobicContact CZ-CD1 3.71Å; F39-L43 VanDerWaalsContact O-CB 3.23Å; F39-L43 WeakPolarHBondContact O-CB 3.32Å; F39-L43 PolarHBondContact O-N 3.05Å; Q40-L43 PolarHBondContact O-N 3.38Å; L43-S46 PolarHBondContact O-N 3.3Å; L43-I47 HydrophobicContact CD2-CD1 3.49Å; L43-I47 VanDerWaalsContact CD2-CD1 3.49Å; L43-I47 HydrophobicContact CD2-CG1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.33Å; L43-I47 WeakPolarHBondContact O-CG1 3.37Å; L43-I47 PolarHBondContact O-N 3.09Å; L43-I47 VanDerWaalsContact O-N 3.09Å
44W96.9Very high96.4Very high165 Ų16595.5 Ų95.563%0.62549%0.492SS*.Hα-helixtrans-69.7-36.3-177.2-71.8117000112.7Q40 I47 A48Q40-W44 PolarHBondContact O-N 2.92Å; W44-I47 HydrophobicContact CE3-CD1 4.26Å; W44-I47 HydrophobicContact CZ3-CD1 4.35Å; W44-I47 PolarHBondContact O-N 3.49Å; W44-A48 WeakPolarHBondContact O-CB 3.33Å; W44-A48 PolarHBondContact O-N 2.98Å
45T97.2Very high96.5Very high76 Ų7694.5 Ų94.547%0.46650%0.497SS..Hα-helixtrans-63.5-43.3175.2-58.90000111.1I41 A48 L49I41-T45 WeakPolarHBondContact O-CB 3.23Å; I41-T45 PolarHBondContact O-N 3.47Å; I41-T45 PolarHBondContact O-OG1 3.43Å; T45-A48 PolarHBondContact O-N 2.95Å; T45-L49 HydrophobicContact CG2-CD1 4.13Å; T45-L49 VanDerWaalsContact O-CG 3.32Å; T45-L49 WeakPolarHBondContact O-CG 3.32Å; T45-L49 PolarHBondContact O-N 3.44Å
46S97.7Very high96.7Very high61 Ų6192 Ų9243%0.42750%0.496SS..Hα-helixtrans-62.3-47177.3-1760000112T42 L43 A48 L49 I50T42-S46 VanDerWaalsContact O-CB 3.32Å; T42-S46 WeakPolarHBondContact O-CB 3.36Å; T42-S46 PolarHBondContact O-N 3.42Å; L43-S46 PolarHBondContact O-N 3.3Å; S46-A48 PolarHBondContact O-N 3.47Å; S46-L49 PolarHBondContact O-N 3Å; S46-I50 VanDerWaalsContact O-CG1 3.29Å; S46-I50 WeakPolarHBondContact O-CG1 3.31Å; S46-I50 PolarHBondContact O-N 3.37Å
47I97.9Very high96.9Very high69 Ų6993 Ų9335%0.35450%0.499SS..Hα-helixtrans-60.5-46.1177.8-67173000111L43 W44 L49 I50 L51L43-I47 HydrophobicContact CD2-CD1 3.49Å; L43-I47 VanDerWaalsContact CD2-CD1 3.49Å; L43-I47 HydrophobicContact CD2-CG1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.33Å; L43-I47 WeakPolarHBondContact O-CG1 3.37Å; L43-I47 PolarHBondContact O-N 3.09Å; L43-I47 VanDerWaalsContact O-N 3.09Å; W44-I47 HydrophobicContact CE3-CD1 4.26Å; W44-I47 HydrophobicContact CZ3-CD1 4.35Å; W44-I47 PolarHBondContact O-N 3.49Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.98Å; I47-I50 PolarHBondContact O-N 2.69Å; I47-L51 HydrophobicContact CG2-CD1 4.16Å; I47-L51 WeakPolarHBondContact O-CG 3.18Å; I47-L51 PolarHBondContact O-N 2.94Å
48A97.8Very high96.9Very high51 Ų5195.5 Ų95.542%0.42150%0.504SS..Hα-helixtrans-60.1-43.9178.200000111.8W44 T45 S46 I50 L51 V52W44-A48 WeakPolarHBondContact O-CB 3.33Å; W44-A48 PolarHBondContact O-N 2.98Å; T45-A48 PolarHBondContact O-N 2.95Å; S46-A48 PolarHBondContact O-N 3.47Å; A48-I50 PolarHBondContact O-N 3.42Å; A48-L51 PolarHBondContact O-N 3.29Å; A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.33Å; A48-V52 PolarHBondContact O-N 3.27Å
49L97.8Very high96.8Very high106 Ų10693.8 Ų93.856%0.55550%0.504SS*.Hα-helixtrans-62.9-41.8177.2-73.6172.9000112.3T45 S46 I47 L51 V52 V53T45-L49 HydrophobicContact CG2-CD1 4.13Å; T45-L49 VanDerWaalsContact O-CG 3.32Å; T45-L49 WeakPolarHBondContact O-CG 3.32Å; T45-L49 PolarHBondContact O-N 3.44Å; S46-L49 PolarHBondContact O-N 3Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-L49 PolarHBondContact O-N 2.98Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.32Å; L49-V52 PolarHBondContact O-N 3.45Å; L49-V53 WeakPolarHBondContact O-CG2 3.5Å; L49-V53 PolarHBondContact O-N 3.04Å
50I97.8Very high96.8Very high104 Ų10494.5 Ų94.553%0.53351%0.511SS..Hα-helixtrans-61-44.8177-68.3164000110.5S46 I47 A48 V52 V53 W54S46-I50 VanDerWaalsContact O-CG1 3.29Å; S46-I50 WeakPolarHBondContact O-CG1 3.31Å; S46-I50 PolarHBondContact O-N 3.37Å; I47-I50 PolarHBondContact O-N 2.69Å; A48-I50 PolarHBondContact O-N 3.42Å; I50-V52 PolarHBondContact O-N 2.98Å; I50-V53 PolarHBondContact O-N 3.5Å; I50-W54 VanDerWaalsContact O-CB 3.3Å; I50-W54 WeakPolarHBondContact O-CB 3.3Å; I50-W54 PolarHBondContact O-N 3.05Å
51L97.7Very high96.5Very high116 Ų116100.1 Ų100.161%0.60753%0.529SS*.Hα-helixtrans-64.6-39178.1-69.5174.5000112.5I47 A48 L49 W54 G55I47-L51 HydrophobicContact CG2-CD1 4.16Å; I47-L51 WeakPolarHBondContact O-CG 3.18Å; I47-L51 PolarHBondContact O-N 2.94Å; A48-L51 PolarHBondContact O-N 3.29Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.32Å; L51-W54 PolarHBondContact O-N 3.29Å; L51-G55 PolarHBondContact O-N 3.47Å
52V97.7Very high96.1Very high92 Ų9299.4 Ų99.456%0.55853%0.526SS*.Hα-helixtrans-63.9-49.3176169.80000110.8A48 L49 I50 W54 G55 V56A48-V52 VanDerWaalsContact O-CG2 3.31Å; A48-V52 WeakPolarHBondContact O-CG2 3.33Å; A48-V52 PolarHBondContact O-N 3.27Å; L49-V52 PolarHBondContact O-N 3.45Å; I50-V52 PolarHBondContact O-N 2.98Å; V52-W54 VanDerWaalsContact C-N 3.3Å; V52-W54 PolarHBondContact O-N 2.9Å; V52-G55 PolarHBondContact O-N 3.48Å; V52-V56 HydrophobicContact CG1-CG2 4.5Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 2.93Å
53V97.6Very high95.5Very high102 Ų102101.4 Ų101.462%0.61853%0.531SS*.Hα-helixtrans-60.5-43.4178.4172.10000110.6L49 I50 V56 S57L49-V53 WeakPolarHBondContact O-CG2 3.5Å; L49-V53 PolarHBondContact O-N 3.04Å; I50-V53 PolarHBondContact O-N 3.5Å; V53-V56 PolarHBondContact O-N 2.98Å; V53-S57 WeakPolarHBondContact O-CB 3.37Å; V53-S57 PolarHBondContact O-N 3.46Å
54W97.3Very high94.6Very high179 Ų179103.6 Ų103.668%0.67854%0.543SS*.Hα-helixtrans-59.6-48.1175.6-175.3-80.3000112I50 L51 V52 V56 S57 W58I50-W54 VanDerWaalsContact O-CB 3.3Å; I50-W54 WeakPolarHBondContact O-CB 3.3Å; I50-W54 PolarHBondContact O-N 3.05Å; L51-W54 PolarHBondContact O-N 3.29Å; V52-W54 VanDerWaalsContact C-N 3.3Å; V52-W54 PolarHBondContact O-N 2.9Å; W54-V56 PolarHBondContact O-N 3.33Å; W54-S57 PolarHBondContact O-N 3.48Å; W54-W58 WeakPolarHBondContact O-CB 3.41Å; W54-W58 PolarHBondContact O-N 3.28Å
55G96.3Very high93.4Very high42 Ų42100.7 Ų100.743%0.43355%0.545SS..Hα-helixtrans-61.4-44179.700000112.8L51 V52 W58 G59L51-G55 PolarHBondContact O-N 3.47Å; V52-G55 PolarHBondContact O-N 3.48Å; G55-W58 PolarHBondContact O-N 2.95Å; G55-G59 PolarHBondContact O-N 3.41Å
56V96.8Very high92Very high85 Ų8598.8 Ų98.852%0.51554%0.54SS..Hα-helixtrans-66.3-43.2176.91750000111.1V52 V53 W54 W58 G59 I60V52-V56 HydrophobicContact CG1-CG2 4.5Å; V52-V56 WeakPolarHBondContact O-CG2 3.44Å; V52-V56 PolarHBondContact O-N 2.93Å; V53-V56 PolarHBondContact O-N 2.98Å; W54-V56 PolarHBondContact O-N 3.33Å; V56-W58 VanDerWaalsContact C-N 3.3Å; V56-W58 PolarHBondContact O-N 3.14Å; V56-G59 PolarHBondContact O-N 3.4Å; V56-G59 VanDerWaalsContact O-N 3.14Å; V56-I60 HydrophobicContact CG1-CD1 3.93Å; V56-I60 HydrophobicContact CG1-CG1 4.44Å; V56-I60 WeakPolarHBondContact O-CG1 3.38Å; V56-I60 PolarHBondContact O-N 3.18Å
57S96.3Very high90.4Very high73 Ų73103.8 Ų103.851%0.5155%0.55SS.*Hα-helixtrans-59.3-43.1176.5-173.70000111.6V53 W54 G59 I60 W61V53-S57 WeakPolarHBondContact O-CB 3.37Å; V53-S57 PolarHBondContact O-N 3.46Å; W54-S57 PolarHBondContact O-N 3.48Å; S57-G59 VanDerWaalsContact C-N 3.33Å; S57-I60 PolarHBondContact O-N 3.25Å; S57-W61 WeakPolarHBondContact O-CB 3.41Å; S57-W61 PolarHBondContact O-N 3.39Å
58W95.4Very high88.7Confident164 Ų164108.2 Ų108.262%0.62158%0.575SS**Hα-helixtrans-65-39.1176.1-169.3-88.2000112.1W54 G55 V56 W61 N62W54-W58 WeakPolarHBondContact O-CB 3.41Å; W54-W58 PolarHBondContact O-N 3.28Å; G55-W58 PolarHBondContact O-N 2.95Å; V56-W58 VanDerWaalsContact C-N 3.3Å; V56-W58 PolarHBondContact O-N 3.14Å; W58-W61 PolarHBondContact O-N 3.44Å; W58-N62 PolarHBondContact NE1-ND2 2.88Å; W58-N62 PolarHBondContact O-N 3.27Å; W58-N62 PolarHBondContact O-ND2 3.4Å
59G93.6Very high87Confident38 Ų38107.4 Ų107.439%0.39257%0.571SS.*Hα-helixtrans-58.2-53.3174.700000111.6G55 V56 S57 W61 N62 M63G55-G59 PolarHBondContact O-N 3.41Å; V56-G59 PolarHBondContact O-N 3.4Å; V56-G59 VanDerWaalsContact O-N 3.14Å; S57-G59 VanDerWaalsContact C-N 3.33Å; G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 3.01Å; G59-N62 PolarHBondContact O-N 2.95Å; G59-M63 VanDerWaalsContact O-CG 3.29Å; G59-M63 WeakPolarHBondContact O-CG 3.44Å; G59-M63 PolarHBondContact O-N 3.23Å
60I93.5Very high85.5Confident111 Ų111109 Ų10957%0.56958%0.578SS**Hα-helixtrans-60.6-41.3179.6-66.2170000111.2V56 S57 N62 M63V56-I60 HydrophobicContact CG1-CD1 3.93Å; V56-I60 HydrophobicContact CG1-CG1 4.44Å; V56-I60 WeakPolarHBondContact O-CG1 3.38Å; V56-I60 PolarHBondContact O-N 3.18Å; S57-I60 PolarHBondContact O-N 3.25Å; I60-N62 PolarHBondContact O-N 2.88Å; I60-M63 HydrophobicContact CG1-SD 4.46Å; I60-M63 PolarHBondContact O-N 3.26Å
61W91.2Very high83.8Confident209 Ų209108.8 Ų108.879%0.79258%0.577SS**Hα-helixtrans-58.4-36.7178.9-174-74.7000112.8S57 W58 G59S57-W61 WeakPolarHBondContact O-CB 3.41Å; S57-W61 PolarHBondContact O-N 3.39Å; W58-W61 PolarHBondContact O-N 3.44Å; G59-W61 VanDerWaalsContact C-N 3.31Å; G59-W61 PolarHBondContact O-N 3.01Å
62N87.9Confident81.7Confident94 Ų94106.2 Ų106.250%0.50356%0.56SS.*THydrogen-bonded Turntrans-101.915.9-175-66-82.7000113.2W58 G59 I60 D64W58-N62 PolarHBondContact NE1-ND2 2.88Å; W58-N62 PolarHBondContact O-N 3.27Å; W58-N62 PolarHBondContact O-ND2 3.4Å; G59-N62 PolarHBondContact O-N 2.95Å; I60-N62 PolarHBondContact O-N 2.88Å; N62-D64 PolarHBondContact O-N 3.33Å; N62-D64 VanDerWaalsContact O-N 3.08Å
63M84.9Confident80Confident135 Ų135111.8 Ų111.867%0.66557%0.571SS**  trans-69.3106.7171.4-67.4-176.170.100108.9G59 I60 P65G59-M63 VanDerWaalsContact O-CG 3.29Å; G59-M63 WeakPolarHBondContact O-CG 3.44Å; G59-M63 PolarHBondContact O-N 3.23Å; I60-M63 HydrophobicContact CG1-SD 4.46Å; I60-M63 PolarHBondContact O-N 3.26Å; M63-P65 WeakPolarHBondContact O-CD 3.33Å
64D78.2Confident78.2Confident103 Ų103109.8 Ų109.855%0.55157%0.571SS**  trans-61119.2171.2-175.115.3000108N62 G66N62-D64 PolarHBondContact O-N 3.33Å; N62-D64 VanDerWaalsContact O-N 3.08Å; D64-G66 PolarHBondContact O-N 3.19Å
65P71.1Confident76.5Confident104 Ų104105.5 Ų105.568%0.67557%0.565SS**  trans-69.624.1-170.327-36.5000115.3M63M63-P65 WeakPolarHBondContact O-CD 3.33Å
66G67.9Low74.5Confident36 Ų36110.4 Ų110.437%0.37158%0.578SS.*  trans72.5118.1179.400000111.4D64 D68D64-G66 PolarHBondContact O-N 3.19Å; G66-D68 PolarHBondContact O-N 2.94Å; G66-D68 VanDerWaalsContact O-N 3.07Å
67R63.7Low72.5Confident167 Ų167112.2 Ų112.263%0.6359%0.589SS**THydrogen-bonded Turntrans-71.42.9178.4-63.5-147.8175.5133.71.9116Y72R67-Y72 HydrophobicContact CB-CD2 4.03Å; R67-Y72 HydrophobicContact CB-CE1 4.49Å; R67-Y72 HydrophobicContact CB-CE2 3.72Å; R67-Y72 VanDerWaalsContact CD-CZ 3.47Å; R67-Y72 WeakPolarHBondContact CD-OH 3.18Å; R67-Y72 HydrophobicContact CG-CD2 4.43Å; R67-Y72 HydrophobicContact CG-CE1 4.12Å; R67-Y72 HydrophobicContact CG-CE2 3.65Å; R67-Y72 VanDerWaalsContact CG-CZ 3.43Å; R67-Y72 VanDerWaalsContact CG-OH 3.3Å; R67-Y72 WeakPolarHBondContact CG-OH 3.3Å; R67-Y72 PolarHBondContact NE-OH 3.1Å; R67-Y72 VanDerWaalsContact NE-OH 3.1Å; R67-Y72 WeakPolarHBondContact O-CD2 3.29Å
68D63.2Low70.8Confident162 Ų162119.3 Ų119.387%0.86661%0.605SS**THydrogen-bonded Turntrans-101.40.6-175.1-66.3-27.4000113.5G66G66-D68 PolarHBondContact O-N 2.94Å; G66-D68 VanDerWaalsContact O-N 3.07Å
69G61.4Low68.9Low33 Ų33117.1 Ų117.134%0.3461%0.612SS.*SBendtrans-84167.5175.500000114.9I71 Y72G69-I71 PolarHBondContact O-N 3.16Å; G69-Y72 PolarHBondContact O-N 3.18Å
70I65.3Low66.9Low140 Ų140124.7 Ų124.772%0.71863%0.634SS**G310 helixtrans-49.9-19.4179.6-159.9161.1000114.8Y72 R73I70-Y72 VanDerWaalsContact C-N 3.28Å; I70-Y72 PolarHBondContact O-N 3.32Å; I70-R73 PolarHBondContact O-N 2.84Å; I70-R73 VanDerWaalsContact O-N 3.16Å
71I63.9Low65Low100 Ų100128.4 Ų128.451%0.51365%0.649SS.*G310 helixtrans-61.5-31.3-178.9-52.4-179.3000112.3G69 T75G69-I71 PolarHBondContact O-N 3.16Å; I71-T75 PolarHBondContact O-OG1 2.75Å
72Y53.3Low63.5Low62 Ų62129.6 Ų129.624%0.24367%0.671CS.*G310 helixtrans-86.5-14.7178.4-72.4-86.5000113.9R67 G69 I70 G74 T75 M76R67-Y72 HydrophobicContact CB-CD2 4.03Å; R67-Y72 HydrophobicContact CB-CE1 4.49Å; R67-Y72 HydrophobicContact CB-CE2 3.72Å; R67-Y72 VanDerWaalsContact CD-CZ 3.47Å; R67-Y72 WeakPolarHBondContact CD-OH 3.18Å; R67-Y72 HydrophobicContact CG-CD2 4.43Å; R67-Y72 HydrophobicContact CG-CE1 4.12Å; R67-Y72 HydrophobicContact CG-CE2 3.65Å; R67-Y72 VanDerWaalsContact CG-CZ 3.43Å; R67-Y72 VanDerWaalsContact CG-OH 3.3Å; R67-Y72 WeakPolarHBondContact CG-OH 3.3Å; R67-Y72 PolarHBondContact NE-OH 3.1Å; R67-Y72 VanDerWaalsContact NE-OH 3.1Å; R67-Y72 WeakPolarHBondContact O-CD2 3.29Å; G69-Y72 PolarHBondContact O-N 3.18Å; I70-Y72 VanDerWaalsContact C-N 3.28Å; I70-Y72 PolarHBondContact O-N 3.32Å; Y72-G74 VanDerWaalsContact C-N 3.31Å; Y72-T75 WeakPolarHBondContact CA-OG1 3.35Å; Y72-M76 VanDerWaalsContact O-CG 3.29Å; Y72-M76 WeakPolarHBondContact O-CG 3.29Å; Y72-M76 PolarHBondContact O-N 3.08Å
73R61.7Low62.3Low209 Ų209131.4 Ų131.479%0.78968%0.679SS**THydrogen-bonded Turntrans-74.3-25.5174.7-54.5-175.7-172.8-171.81.3111.9I70I70-R73 PolarHBondContact O-N 2.84Å; I70-R73 VanDerWaalsContact O-N 3.16Å
74G59.5Low61.1Low60 Ų60131.2 Ų131.262%0.61968%0.68SS**THydrogen-bonded Turntrans-90.7-14.2175.900000115.4Y72Y72-G74 VanDerWaalsContact C-N 3.31Å
75T61.3Low60.2Low89 Ų89132.7 Ų132.755%0.54669%0.687SS.*THydrogen-bonded Turntrans-111-11-174.946.50000114.2I71 Y72 T77I71-T75 PolarHBondContact O-OG1 2.75Å; Y72-T75 WeakPolarHBondContact CA-OG1 3.35Å; T75-T77 PolarHBondContact O-N 3.07Å
76M53.6Low59.6Low144 Ų144134.4 Ų134.471%0.70969%0.688SS**  trans-75.512.7174.6-75.6-165.7-159.300115.1Y72 R78Y72-M76 VanDerWaalsContact O-CG 3.29Å; Y72-M76 WeakPolarHBondContact O-CG 3.29Å; Y72-M76 PolarHBondContact O-N 3.08Å; M76-R78 PolarHBondContact O-N 3.2Å
77T56.6Low59Low123 Ų123140.6 Ų140.676%0.75571%0.708SS**  trans-72.963.3160.656.70000109.7T75T75-T77 PolarHBondContact O-N 3.07Å
78R59.4Low58.7Low222 Ų222138.8 Ų138.884%0.83871%0.713SS**  trans-62127.2154.4-64.8-178.8110-161.82105.1M76 K80M76-R78 PolarHBondContact O-N 3.2Å; R78-K80 PolarHBondContact O-N 2.81Å
79P56.1Low58.4Low118 Ų118137.1 Ų137.177%0.76670%0.702SS**  trans-57.3128.9172.6-7.719.1000106.8Q81P79-Q81 PolarHBondContact O-N 3.03Å
80K51.3Low58.2Low198 Ų198145.2 Ų145.286%0.86173%0.73SS**  trans-54.6115.5165.6-98.3174.3167-178.80106.3R78R78-K80 PolarHBondContact O-N 2.81Å
81Q54.1Low57.6Low189 Ų189145.6 Ų145.688%0.88373%0.731SS**  trans-83.4124.3157.4-90.3178.3-48.900106P79P79-Q81 PolarHBondContact O-N 3.03Å
82D60.2Low57Low233 Ų233149.7 Ų149.7100%1.24675%0.75SS**  trans-57.90-177.7-57.1-55.2000113.4

Retrieved 82 of 82 residues in 208.7 ms (Link to these results)