A0A087XG20_POEFO Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087XG20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1M40.4Very low42.4Very low248 Ų248148.2 Ų148.2100%1.22286%0.857SS**  087.20-68.6-69.4177.500108
2A37.4Very low42.5Very low105 Ų105146.3 Ų146.387%0.86885%0.85SS**  trans-121.6111.6176.900000107.7
3A41.9Very low42.9Very low102 Ų102153.1 Ų153.184%0.84385%0.852SS**  trans-79.4121.1-177.400000109.9
4A43.8Very low43.3Very low99 Ų99154.2 Ų154.282%0.81886%0.856SS**  trans-89.6112.417100000109.1C6A4-C6 PolarHBondContact O-N 2.85Å
5V46.3Very low43.4Very low133 Ų133149.4 Ų149.481%0.80684%0.844SS**  trans-82.5110.2174.9178.30000108.6R7V5-R7 PolarHBondContact O-N 3.01Å
6C39.5Very low43.6Very low114 Ų114153.6 Ų153.677%0.7785%0.85SS**  trans-75.2113.2170.3-85.30000110.2A4 V8A4-C6 PolarHBondContact O-N 2.85Å; C6-V8 PolarHBondContact O-N 3.06Å
7R44.8Very low44.1Very low240 Ų240151.1 Ų151.191%0.90684%0.84SS**  trans-75110.6162-97.2-178.5170.5171.8-2.6108.7V5V5-R7 PolarHBondContact O-N 3.01Å
8V43.5Very low44.8Very low118 Ų118150.8 Ų150.872%0.71584%0.836SS**  trans-84.1111.4173.2-177.50000108.2C6C6-V8 PolarHBondContact O-N 3.06Å
9L42.5Very low45.3Very low163 Ų163149.4 Ų149.485%0.85383%0.831SS**  trans-94.9108.6163.1-70.6176.1000107.9F11L9-F11 PolarHBondContact O-N 2.85Å
10S42.3Very low46Very low105 Ų105149.4 Ų149.473%0.73482%0.824SS**  trans-77.8113.2176.4-58.60000110.1
11F43.6Very low46.5Very low203 Ų203148 Ų14889%0.8982%0.822SS**  trans-125149.2155.9-98.8-92000109.6L9L9-F11 PolarHBondContact O-N 2.85Å
12T43.5Very low47.3Very low126 Ų126143.4 Ų143.477%0.77380%0.802SS**  trans-68.7150.3-156.242.30000115.8
13R48.2Very low48Very low234 Ų234149.4 Ų149.488%0.88380%0.802SS**SBendtrans57.5106.8153.9-84177.6145.6-177.3-7.2119.2
14N48.3Very low48.7Very low169 Ų169151.8 Ų151.890%0.90480%0.8SS**  trans53.857.1144.9-70.9-13.4000118.6
15A45.8Very low49.4Very low82 Ų82152.2 Ų152.268%0.67879%0.793SS**  trans-139.899.9151.200000109.1V17A15-V17 HydrophobicContact CB-CG2 4.22Å; A15-V17 PolarHBondContact O-N 3.19Å
16K45.4Very low50Low216 Ų216150.5 Ų150.594%0.93979%0.793SS**  trans-7578.1164.5-74.5-177.7-179.1175.40107.6L18K16-L18 PolarHBondContact O-N 3.15Å
17V51.9Low50.9Low112 Ų112150.7 Ų150.768%0.67979%0.79SS**  trans-76.999.8165.5-1790000106.4A15 V19A15-V17 HydrophobicContact CB-CG2 4.22Å; A15-V17 PolarHBondContact O-N 3.19Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 HydrophobicContact CG1-CG2 3.91Å; V17-V19 PolarHBondContact O-N 2.63Å
18L57.2Low51.6Low145 Ų145143.7 Ų143.776%0.75978%0.775SS**  trans-72.688172-159.1104.4000107.1K16 Q20K16-L18 PolarHBondContact O-N 3.15Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 HydrophobicContact CD2-CG 3.86Å; L18-Q20 PolarHBondContact O-N 2.95Å
19V54.7Low52.2Low124 Ų124144.3 Ų144.375%0.75278%0.779SS**  trans-69.692.4171.6-1730000106.6V17V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 HydrophobicContact CG1-CG2 3.91Å; V17-V19 PolarHBondContact O-N 2.63Å
20Q59.8Low53Low149 Ų149142 Ų14270%0.69676%0.764SS**  trans-61.9132.8169.3-71.2-172.2-30.100108L18 L22L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 HydrophobicContact CD2-CG 3.86Å; L18-Q20 PolarHBondContact O-N 2.95Å; Q20-L22 PolarHBondContact O-N 3.12Å
21P55.7Low53.9Low120 Ų120147.7 Ų147.778%0.77977%0.769SS**  trans-62.4118171.125.8-30.5000107.3R23P21-R23 PolarHBondContact O-N 2.93Å
22L58.2Low55.2Low152 Ų152140.9 Ų140.980%0.79674%0.738SS**  trans-57110.5171.5-131.299.8000106.8Q20 L24Q20-L22 PolarHBondContact O-N 3.12Å; L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 HydrophobicContact CD2-CD2 4.43Å; L22-L24 PolarHBondContact O-N 3.19Å
23R51.5Low56.7Low231 Ų231140.2 Ų140.287%0.87274%0.738SS**  trans-68.191.9168.9-109.6-162.3176.7-124.23.2107P21 T25P21-R23 PolarHBondContact O-N 2.93Å; R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 2.94Å
24L55.6Low58.5Low152 Ų152130.4 Ų130.480%0.79670%0.704SS**  trans-68.194.2166.3-74.2164.1000107.5L22 A26L22-L24 VanDerWaalsContact C-N 3.25Å; L22-L24 HydrophobicContact CD2-CD2 4.43Å; L22-L24 PolarHBondContact O-N 3.19Å; L24-A26 PolarHBondContact O-N 2.95Å; L24-A26 VanDerWaalsContact O-N 3.14Å
25T60Low60.5Low109 Ų109129.2 Ų129.267%0.66969%0.694SS**  trans-73.597.2163510000107R23 V27R23-T25 VanDerWaalsContact C-N 3.33Å; R23-T25 PolarHBondContact O-N 2.94Å; T25-V27 PolarHBondContact O-N 3.47Å
26A58.5Low62.7Low97 Ų97129.5 Ų129.580%0.80269%0.687SS**  trans-66.4101.416900000107.8L24L24-A26 PolarHBondContact O-N 2.95Å; L24-A26 VanDerWaalsContact O-N 3.14Å
27V58.1Low64.9Low117 Ų117120.2 Ų120.271%0.70965%0.649SS**  trans-74.8122.5170.4-172.60000106.5T25 V29T25-V27 PolarHBondContact O-N 3.47Å; V27-V29 PolarHBondContact O-N 3.38Å
28P59.3Low66.7Low93 Ų93120.8 Ų120.860%0.60466%0.658SS**  trans-60124.3175.324.4-31.4000108.9H30P28-H30 PolarHBondContact O-N 3.13Å; P28-H30 VanDerWaalsContact O-N 3.08Å
29V56.9Low68.2Low131 Ų131115.6 Ų115.679%0.79463%0.632SS**  trans-78.892.5172.4179.10000107.2V27 R31V27-V29 PolarHBondContact O-N 3.38Å; V29-R31 PolarHBondContact O-N 3.31Å
30H58.9Low69.8Low115 Ų115112.3 Ų112.353%0.53262%0.623SS.*  trans-73.6124.3170-96.5-41.3000110.3P28 Y32 E78P28-H30 PolarHBondContact O-N 3.13Å; P28-H30 VanDerWaalsContact O-N 3.08Å; H30-Y32 HydrophobicContact CB-CE1 4.46Å; H30-Y32 HydrophobicContact CB-CE2 4.11Å; H30-Y32 PolarHBondContact O-N 3.15Å; H30-E78 IonicContact CD2-OE1 3.74Å; H30-E78 PolarHBondContact CD2-OE1 3.44Å
31R60.4Low71.3Confident225 Ų225106.2 Ų106.285%0.84960%0.595SS**  trans-88.196170.3-73.3-166.6161.6164-1.7108.6V29 S33V29-R31 PolarHBondContact O-N 3.31Å; R31-S33 PolarHBondContact O-N 2.9Å
32Y71.4Confident73.2Confident59 Ų59102.4 Ų102.423%0.23157%0.57CS.*PPolyproline II helixtrans-69.1126.2169.6-55.7-80.8000109.2H30 N74 L75 E78H30-Y32 HydrophobicContact CB-CE1 4.46Å; H30-Y32 HydrophobicContact CB-CE2 4.11Å; H30-Y32 PolarHBondContact O-N 3.15Å; Y32-N74 HydrophobicContact CD1-CB 4.33Å; Y32-N74 HydrophobicContact CE1-CB 4.14Å; Y32-L75 HydrophobicContact CE2-CD2 3.72Å; Y32-L75 WeakPolarHBondContact OH-CD2 3.3Å; Y32-E78 PolarHBondContact OH-OE2 2.73Å
33S74.8Confident74.9Confident112 Ų11296.8 Ų96.878%0.78354%0.541SS*.PPolyproline II helixtrans-98131.5173.9-65.20000108.7R31R31-S33 PolarHBondContact O-N 2.9Å
34V86.5Confident77Confident28 Ų2887 Ų8717%0.1751%0.506CS..PPolyproline II helixtrans-81.1133.6174.7178.40000108.3P42 I43 V67 K69 F71V34-P42 HydrophobicContact CG1-CB 3.86Å; V34-I43 WeakPolarHBondContact CG1-O 3.35Å; V34-V67 HydrophobicContact CG1-CG1 4.35Å; V34-K69 HydrophobicContact CG2-CB 3.94Å; V34-K69 HydrophobicContact CG2-CG 3.86Å; V34-F71 HydrophobicContact CG1-CZ 4.06Å; V34-F71 HydrophobicContact CG2-CE1 4.22Å; V34-F71 HydrophobicContact CG2-CZ 4.36Å
35E89.4Confident78.9Confident145 Ų14585.9 Ų85.968%0.67850%0.497SS*.PPolyproline II helixtrans-62.4142.4174-64.7-170.3160.400110.8I43E35-I43 HydrophobicContact CB-CD1 4.05Å; E35-I43 PolarHBondContact O-N 3.1Å
36V91.8Very high80.5Confident88 Ų8885.6 Ų85.653%0.53350%0.495SS..BIsolated β-bridgetrans-117.2133.8-177-175.80000108.3G40 E41V36-G40 VanDerWaalsContact CG1-CA 3.46Å; V36-G40 WeakPolarHBondContact CG1-O 3.17Å; V36-E41 WeakPolarHBondContact CA-O 3.12Å
37S91.6Very high82.2Confident21 Ų2183.3 Ų83.315%0.14748%0.481CS..  trans-68.8170.3176.462.30000112.1T39 G40 E41S37-T39 PolarHBondContact O-N 3.26Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.02Å; S37-G40 PolarHBondContact O-N 2.95Å; S37-E41 PolarHBondContact N-O 2.72Å; S37-E41 PolarHBondContact OG-N 3.01Å; S37-E41 PolarHBondContact OG-O 3.46Å; S37-E41 VanDerWaalsContact OG-O 3.1Å
38S90.1Very high84Confident123 Ų12381.2 Ų81.286%0.8646%0.463SS*.THydrogen-bonded Turntrans-55-27.1171.453.20000113.5G40S38-G40 VanDerWaalsContact C-N 3.29Å; S38-G40 PolarHBondContact O-N 3.42Å
39T88.4Confident85.7Confident36 Ų3678.9 Ų78.922%0.22145%0.448CS..THydrogen-bonded Turntrans-82-2.1178.454.70000114.1S37 E41 E52S37-T39 PolarHBondContact O-N 3.26Å; S37-T39 VanDerWaalsContact O-N 3.1Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.02Å; T39-E41 VanDerWaalsContact C-N 3.32Å; T39-E52 HydrophobicContact CG2-CB 3.77Å; T39-E52 HydrophobicContact CG2-CG 3.9Å
40G89.5Confident87.5Confident55 Ų5573.8 Ų73.857%0.56742%0.415SS*.SBendtrans81.67.3-176.600000114.3V36 S37 S38V36-G40 VanDerWaalsContact CG1-CA 3.46Å; V36-G40 WeakPolarHBondContact CG1-O 3.17Å; S37-G40 PolarHBondContact O-N 2.95Å; S38-G40 VanDerWaalsContact C-N 3.29Å; S38-G40 PolarHBondContact O-N 3.42Å
41E91.8Very high89.3Confident22 Ų2274.1 Ų74.110%0.10342%0.42CS..PPolyproline II helixtrans-90.6138.9178.8-71.6179.2-15900111.7V36 S37 T39 I43 V49 R57V36-E41 WeakPolarHBondContact CA-O 3.12Å; S37-E41 PolarHBondContact N-O 2.72Å; S37-E41 PolarHBondContact OG-N 3.01Å; S37-E41 PolarHBondContact OG-O 3.46Å; S37-E41 VanDerWaalsContact OG-O 3.1Å; T39-E41 VanDerWaalsContact C-N 3.32Å; E41-I43 PolarHBondContact O-N 3.44Å; E41-V49 HydrophobicContact CB-CG2 4.11Å; E41-R57 IonicContact OE1-CZ 3.33Å; E41-R57 IonicContact OE1-NE 2.73Å; E41-R57 PolarHBondContact OE1-NE 3.15Å; E41-R57 IonicContact OE1-NH2 3.01Å; E41-R57 PolarHBondContact OE1-NH2 3.17Å
42P94.1Very high90.8Very high39 Ų3970 Ų7025%0.25341%0.41SS..BIsolated β-bridgetrans-66.9133.4174.827.2-33000110.9V34 K65 V67V34-P42 HydrophobicContact CG1-CB 3.86Å; P42-K65 HydrophobicContact CG-CD 4.42Å; P42-K65 PolarHBondContact O-NZ 2.92Å; P42-V67 HydrophobicContact CB-CB 4.45Å; P42-V67 HydrophobicContact CB-CG2 4.13Å; P42-V67 HydrophobicContact CG-CB 4.47Å; P42-V67 HydrophobicContact CG-CG2 3.85Å
43I95.1Very high92Very high35 Ų3576.5 Ų76.518%0.17944%0.44CS..PPolyproline II helixtrans-77.5133.9173.5-55.5176.2000107.9V34 E35 E41 V49V34-I43 WeakPolarHBondContact CG1-O 3.35Å; E35-I43 HydrophobicContact CB-CD1 4.05Å; E35-I43 PolarHBondContact O-N 3.1Å; E41-I43 PolarHBondContact O-N 3.44Å; I43-V49 HydrophobicContact CG1-CB 4.38Å
44T95.4Very high93Very high25 Ų2572 Ų7215%0.15341%0.407CS..PPolyproline II helixtrans-72.3164.2178.566.70000111.4T46 G47 Q48 V67T44-T46 PolarHBondContact O-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 2.84Å; T44-G47 PolarHBondContact O-N 2.92Å; T44-Q48 HydrophobicContact CG2-CB 4.42Å; T44-Q48 PolarHBondContact N-O 3.43Å; T44-Q48 VanDerWaalsContact N-O 3.11Å; T44-Q48 WeakPolarHBondContact OG1-CB 3.41Å; T44-Q48 PolarHBondContact OG1-N 2.98Å; T44-Q48 PolarHBondContact OG1-O 3.37Å; T44-V67 HydrophobicContact CG2-CG2 4.21Å
45H94Very high93.4Very high128 Ų12875.9 Ų75.959%0.59343%0.433SS*.THydrogen-bonded Turntrans-58.5-15.6175.867.4-88.1000114.5F71H45-F71 HydrophobicContact CB-CD1 3.6Å; H45-F71 HydrophobicContact CB-CD2 4.2Å; H45-F71 HydrophobicContact CB-CE1 3.64Å; H45-F71 HydrophobicContact CB-CE2 4.24Å; H45-F71 HydrophobicContact CB-CG 3.9Å; H45-F71 HydrophobicContact CB-CZ 3.98Å
46T95.2Very high93.7Very high103 Ų10375.5 Ų75.563%0.63243%0.425SS*.THydrogen-bonded Turntrans-91.4-7.1174.563.50000113.5T44T44-T46 PolarHBondContact O-N 3.05Å; T44-T46 PolarHBondContact OG1-OG1 2.84Å
47G93.9Very high93.9Very high49 Ų4974.2 Ų74.251%0.50541%0.411SS..  trans91.2-0.8-172.800000114.6T44 V49T44-G47 PolarHBondContact O-N 2.92Å; G47-V49 PolarHBondContact O-N 3.11Å
48Q95.1Very high94Very high73 Ų7376.5 Ų76.534%0.34143%0.431SS..  trans-69.8130-179-169.4-78.6-28.800112.4T44 K65T44-Q48 HydrophobicContact CG2-CB 4.42Å; T44-Q48 PolarHBondContact N-O 3.43Å; T44-Q48 VanDerWaalsContact N-O 3.11Å; T44-Q48 WeakPolarHBondContact OG1-CB 3.41Å; T44-Q48 PolarHBondContact OG1-N 2.98Å; T44-Q48 PolarHBondContact OG1-O 3.37Å; Q48-K65 PolarHBondContact O-NZ 3.31Å
49V95.8Very high94.3Very high45 Ų4577.3 Ų77.327%0.27342%0.415SS..  trans-147.4156.3164.564.50000108.9E41 I43 G47E41-V49 HydrophobicContact CB-CG2 4.11Å; I43-V49 HydrophobicContact CG1-CB 4.38Å; G47-V49 PolarHBondContact O-N 3.11Å
50F95.3Very high94.6Very high24 Ų2478.1 Ų78.111%0.10542%0.416CS..  trans-85144.2176.1-69.9-76.2000110.5D54 R56 R57 F60F50-D54 HydrophobicContact CB-CB 4.27Å; F50-D54 WeakPolarHBondContact CD1-OD2 3.22Å; F50-R56 HydrophobicContact CD1-CB 4.01Å; F50-R56 HydrophobicContact CE1-CB 3.76Å; F50-R56 HydrophobicContact CZ-CB 4.42Å; F50-R57 HydrophobicContact CB-CG 3.4Å; F50-R57 VanDerWaalsContact CB-CG 3.4Å; F50-R57 HydrophobicContact CD2-CG 4.48Å; F50-R57 HydrophobicContact CG-CG 4.05Å; F50-F60 HydrophobicContact CD2-CE2 4.04Å; F50-F60 AromaticContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CZ 4.32Å
51D94.9Very high94.8Very high122 Ų12281.2 Ų81.265%0.65242%0.423SS*.  trans-64152.3174.1-61.2-39000110.8K53 D54 R57D51-K53 PolarHBondContact O-N 3.43Å; D51-K53 VanDerWaalsContact O-N 3.12Å; D51-D54 HydrophobicContact CB-CB 4.28Å; D51-D54 VanDerWaalsContact O-CB 3.22Å; D51-D54 WeakPolarHBondContact O-CB 3.39Å; D51-D54 PolarHBondContact O-N 2.87Å; D51-R57 WeakPolarHBondContact O-CD 3.48Å
52E93.3Very high94.9Very high137 Ų13784.3 Ų84.364%0.6446%0.462SS*.THydrogen-bonded Turntrans-53.8-40.2-175.5-175.8176.6-167.900113.3T39 R57T39-E52 HydrophobicContact CG2-CB 3.77Å; T39-E52 HydrophobicContact CG2-CG 3.9Å; E52-R57 PolarHBondContact O-NH1 3.33Å
53K95.1Very high95Very high196 Ų19690.2 Ų90.285%0.85248%0.483SS*.THydrogen-bonded Turntrans-92.17.9-178.5-60.8-178.7-177.7177.50113.8D51 P55D51-K53 PolarHBondContact O-N 3.43Å; D51-K53 VanDerWaalsContact O-N 3.12Å; K53-P55 WeakPolarHBondContact O-CD 3.07Å
54D96.1Very high94.9Very high18 Ų1896.6 Ų96.610%0.09651%0.512CS..  trans-76117.7-179-168.9-30000111F50 D51 R56 R57F50-D54 HydrophobicContact CB-CB 4.27Å; F50-D54 WeakPolarHBondContact CD1-OD2 3.22Å; D51-D54 HydrophobicContact CB-CB 4.28Å; D51-D54 VanDerWaalsContact O-CB 3.22Å; D51-D54 WeakPolarHBondContact O-CB 3.39Å; D51-D54 PolarHBondContact O-N 2.87Å; D54-R56 VanDerWaalsContact CG-NE 3.34Å; D54-R56 PolarHBondContact O-N 3.24Å; D54-R56 WeakPolarHBondContact OD1-CB 3.34Å; D54-R56 WeakPolarHBondContact OD1-CG 3.16Å; D54-R56 IonicContact OD1-CZ 3.97Å; D54-R56 PolarHBondContact OD1-N 2.96Å; D54-R56 IonicContact OD1-NE 3.01Å; D54-R56 PolarHBondContact OD1-NE 3.48Å; D54-R56 IonicContact OD2-CZ 3.13Å; D54-R56 IonicContact OD2-NE 2.85Å; D54-R56 PolarHBondContact OD2-NE 3.04Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å; D54-R57 HydrophobicContact CB-CG 4.42Å; D54-R57 WeakPolarHBondContact O-CB 3.39Å; D54-R57 WeakPolarHBondContact O-CG 3.28Å; D54-R57 PolarHBondContact O-N 2.9Å; D54-R57 VanDerWaalsContact O-N 3.13Å
55P95.9Very high94.8Very high109 Ų10996.8 Ų96.871%0.70851%0.511SS*.G310 helixtrans-61.7-20.5-179.526.5-35.7000112.9K53 R57 A58K53-P55 WeakPolarHBondContact O-CD 3.07Å; P55-R57 PolarHBondContact O-N 2.88Å; P55-R57 VanDerWaalsContact O-N 3.15Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 3.1Å
56R95.8Very high94.9Very high138 Ų13899.2 Ų99.252%0.52152%0.523SS..G310 helixtrans-63.7-19178.6-63.5178-68.2-176.50.4112.7F50 D54 A58 R59F50-R56 HydrophobicContact CD1-CB 4.01Å; F50-R56 HydrophobicContact CE1-CB 3.76Å; F50-R56 HydrophobicContact CZ-CB 4.42Å; D54-R56 VanDerWaalsContact CG-NE 3.34Å; D54-R56 PolarHBondContact O-N 3.24Å; D54-R56 WeakPolarHBondContact OD1-CB 3.34Å; D54-R56 WeakPolarHBondContact OD1-CG 3.16Å; D54-R56 IonicContact OD1-CZ 3.97Å; D54-R56 PolarHBondContact OD1-N 2.96Å; D54-R56 IonicContact OD1-NE 3.01Å; D54-R56 PolarHBondContact OD1-NE 3.48Å; D54-R56 IonicContact OD2-CZ 3.13Å; D54-R56 IonicContact OD2-NE 2.85Å; D54-R56 PolarHBondContact OD2-NE 3.04Å; D54-R56 IonicContact OD2-NH2 2.63Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å; R56-A58 PolarHBondContact O-N 3.27Å; R56-R59 VanDerWaalsContact O-CG 3.28Å; R56-R59 WeakPolarHBondContact O-CG 3.42Å; R56-R59 PolarHBondContact O-N 2.88Å; R56-R59 PolarHBondContact O-NE 3.43Å
57R94.8Very high94.9Very high60 Ų6095.6 Ų95.623%0.22650%0.5CS..G310 helixtrans-63-28.1175.5-69.2-178.262.6-145.3-1.9113.5E41 F50 D51 E52 D54 P55 R59 F60E41-R57 IonicContact OE1-CZ 3.33Å; E41-R57 IonicContact OE1-NE 2.73Å; E41-R57 PolarHBondContact OE1-NE 3.15Å; E41-R57 IonicContact OE1-NH2 3.01Å; E41-R57 PolarHBondContact OE1-NH2 3.17Å; F50-R57 HydrophobicContact CB-CG 3.4Å; F50-R57 VanDerWaalsContact CB-CG 3.4Å; F50-R57 HydrophobicContact CD2-CG 4.48Å; F50-R57 HydrophobicContact CG-CG 4.05Å; D51-R57 WeakPolarHBondContact O-CD 3.48Å; E52-R57 PolarHBondContact O-NH1 3.33Å; D54-R57 HydrophobicContact CB-CG 4.42Å; D54-R57 WeakPolarHBondContact O-CB 3.39Å; D54-R57 WeakPolarHBondContact O-CG 3.28Å; D54-R57 PolarHBondContact O-N 2.9Å; D54-R57 VanDerWaalsContact O-N 3.13Å; P55-R57 PolarHBondContact O-N 2.88Å; P55-R57 VanDerWaalsContact O-N 3.15Å; R57-R59 PolarHBondContact O-N 3.44Å; R57-F60 PolarHBondContact O-N 3.16Å
58A94.8Very high94.9Very high69 Ų6998 Ų9857%0.5750%0.501SS*.G310 helixtrans-53-27.1179.700000113P55 R56 F60 V61P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 3.1Å; R56-A58 PolarHBondContact O-N 3.27Å; A58-F60 PolarHBondContact O-N 3.05Å; A58-V61 PolarHBondContact O-N 3.12Å; A58-V61 VanDerWaalsContact O-N 3.15Å
59R95.3Very high94.8Very high141 Ų141101.1 Ų101.153%0.53251%0.514SS..G310 helixtrans-61.1-24.1177.480-178.571-173.1-6.7114.4R56 R57R56-R59 VanDerWaalsContact O-CG 3.28Å; R56-R59 WeakPolarHBondContact O-CG 3.42Å; R56-R59 PolarHBondContact O-N 2.88Å; R56-R59 PolarHBondContact O-NE 3.43Å; R57-R59 PolarHBondContact O-N 3.44Å
60F95.4Very high94.6Very high53 Ų53103.4 Ų103.423%0.23252%0.524CS..G310 helixtrans-101.8-0.2-179.3-55.5-68.1000112.8F50 R57 A58 G62 K63 K65F50-F60 HydrophobicContact CD2-CE2 4.04Å; F50-F60 AromaticContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CE2 3.59Å; F50-F60 HydrophobicContact CE2-CZ 4.32Å; R57-F60 PolarHBondContact O-N 3.16Å; A58-F60 PolarHBondContact O-N 3.05Å; F60-G62 PolarHBondContact O-N 2.89Å; F60-K63 CarbonylContact O-C 3.58Å; F60-K63 PolarHBondContact O-N 3.27Å; F60-K65 HydrophobicContact CD1-CB 3.88Å; F60-K65 HydrophobicContact CD1-CG 4.39Å; F60-K65 HydrophobicContact CE1-CB 4Å; F60-K65 HydrophobicContact CE1-CG 4.02Å; F60-K65 HydrophobicContact CE2-CG 4.49Å; F60-K65 HydrophobicContact CG-CB 4.23Å; F60-K65 HydrophobicContact CZ-CB 4.44Å; F60-K65 HydrophobicContact CZ-CG 4.07Å
61V93.8Very high94.6Very high119 Ų119103.9 Ų103.972%0.72153%0.527SS*.THydrogen-bonded Turntrans-65.8124.6174.7177.40000108.9A58 K63A58-V61 PolarHBondContact O-N 3.12Å; A58-V61 VanDerWaalsContact O-N 3.15Å; V61-K63 PolarHBondContact O-N 3.05Å
62G94.5Very high94.5Very high88 Ų88101.3 Ų101.391%0.90752%0.522SS*.THydrogen-bonded Turntrans71.18.8-174.300000114.7F60F60-G62 PolarHBondContact O-N 2.89Å
63K94.8Very high94.5Very high163 Ų163100.9 Ų100.971%0.70952%0.523SS*.SBendtrans-131.3167.8177.6-63.4-177.4-177.4178.50110.1F60 V61F60-K63 CarbonylContact O-C 3.58Å; F60-K63 PolarHBondContact O-N 3.27Å; V61-K63 PolarHBondContact O-N 3.05Å
64Q93.1Very high94.4Very high169 Ų16995.1 Ų95.179%0.7950%0.502SS*.  trans-100.1136.917465.3-177.81.100111E66Q64-E66 PolarHBondContact O-N 3.36Å
65K94.9Very high94.3Very high29 Ų2997.6 Ų97.613%0.12652%0.515CS..  trans-78112.1166.3-177.9-173.8177.1-170.90107.9P42 Q48 F60 V67P42-K65 HydrophobicContact CG-CD 4.42Å; P42-K65 PolarHBondContact O-NZ 2.92Å; Q48-K65 PolarHBondContact O-NZ 3.31Å; F60-K65 HydrophobicContact CD1-CB 3.88Å; F60-K65 HydrophobicContact CD1-CG 4.39Å; F60-K65 HydrophobicContact CE1-CB 4Å; F60-K65 HydrophobicContact CE1-CG 4.02Å; F60-K65 HydrophobicContact CE2-CG 4.49Å; F60-K65 HydrophobicContact CG-CB 4.23Å; F60-K65 HydrophobicContact CZ-CB 4.44Å; F60-K65 HydrophobicContact CZ-CG 4.07Å; K65-V67 HydrophobicContact CD-CG2 4.29Å; K65-V67 HydrophobicContact CG-CG2 4.12Å; K65-V67 PolarHBondContact O-N 3.11Å
66E94.9Very high94.2Very high179 Ų17994.9 Ų94.984%0.83650%0.496SS*.  trans-75.5122.4179.4-170.1170.8-177.800110.7Q64Q64-E66 PolarHBondContact O-N 3.36Å
67V94.9Very high94Very high27 Ų2791.9 Ų91.916%0.16450%0.501CS..  trans-136.5130.6178.1-178.40000108.4V34 P42 T44 K65 K69V34-V67 HydrophobicContact CG1-CG1 4.35Å; P42-V67 HydrophobicContact CB-CB 4.45Å; P42-V67 HydrophobicContact CB-CG2 4.13Å; P42-V67 HydrophobicContact CG-CB 4.47Å; P42-V67 HydrophobicContact CG-CG2 3.85Å; T44-V67 HydrophobicContact CG2-CG2 4.21Å; K65-V67 HydrophobicContact CD-CG2 4.29Å; K65-V67 HydrophobicContact CG-CG2 4.12Å; K65-V67 PolarHBondContact O-N 3.11Å; V67-K69 PolarHBondContact O-N 3.38Å
68N93.9Very high93.9Very high98 Ų9893.7 Ų93.752%0.52451%0.512SS..  trans-66.1127.2172.5177.819.2000109.8N70 F71N68-N70 PolarHBondContact ND2-O 3.21Å; N68-N70 PolarHBondContact OD1-N 3.31Å; N68-F71 WeakPolarHBondContact O-CD1 3.13Å; N68-F71 WeakPolarHBondContact O-CE1 3.46Å
69K92.8Very high93.8Very high140 Ų14095.8 Ų95.861%0.60951%0.51SS*.SBendtrans-82.3-19.7-179.3-58.2178.6-177.4176.40113.5V34 V67 F71V34-K69 HydrophobicContact CG2-CB 3.94Å; V34-K69 HydrophobicContact CG2-CG 3.86Å; V67-K69 PolarHBondContact O-N 3.38Å; K69-F71 PolarHBondContact O-N 3.43Å
70N92.8Very high93.7Very high92 Ų9293.6 Ų93.649%0.49251%0.514SS..  trans-94.491.6-176.3-61.7-25.7000109.4N68 L75N68-N70 PolarHBondContact ND2-O 3.21Å; N68-N70 PolarHBondContact OD1-N 3.31Å; N70-L75 HydrophobicContact CB-CD1 4.4Å
71F94.6Very high93.7Very high34 Ų3493.3 Ų93.315%0.14952%0.516CS..  trans-80122.7-178.9-69.44.9000110.8V34 H45 N68 K69 I73 N74 L75V34-F71 HydrophobicContact CG1-CZ 4.06Å; V34-F71 HydrophobicContact CG2-CE1 4.22Å; V34-F71 HydrophobicContact CG2-CZ 4.36Å; H45-F71 HydrophobicContact CB-CD1 3.6Å; H45-F71 HydrophobicContact CB-CD2 4.2Å; H45-F71 HydrophobicContact CB-CE1 3.64Å; H45-F71 HydrophobicContact CB-CE2 4.24Å; H45-F71 HydrophobicContact CB-CG 3.9Å; H45-F71 HydrophobicContact CB-CZ 3.98Å; N68-F71 WeakPolarHBondContact O-CD1 3.13Å; N68-F71 WeakPolarHBondContact O-CE1 3.46Å; K69-F71 PolarHBondContact O-N 3.43Å; F71-I73 HydrophobicContact CB-CG2 4.13Å; F71-I73 PolarHBondContact O-N 3.03Å; F71-N74 PolarHBondContact O-N 3Å; F71-N74 VanDerWaalsContact O-N 3.11Å; F71-L75 PolarHBondContact O-N 3.49Å
72A93.4Very high93.7Very high68 Ų6890.5 Ų90.556%0.56250%0.499SS*.Hα-helixtrans-59.7-31.3-17800000113.4N74 L75 V76A72-N74 VanDerWaalsContact C-N 3.28Å; A72-N74 PolarHBondContact O-N 3.4Å; A72-L75 PolarHBondContact O-N 3.35Å; A72-V76 WeakPolarHBondContact O-CB 3.49Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.16Å
73I93.6Very high93.6Very high129 Ų12990.7 Ų90.766%0.66248%0.476SS*.Hα-helixtrans-59.1-39.4176.9-169.3171.3000112.3F71 A77F71-I73 HydrophobicContact CB-CG2 4.13Å; F71-I73 PolarHBondContact O-N 3.03Å; I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.39Å
74N92.8Very high93.4Very high75 Ų7585.5 Ų85.540%0.40146%0.456SS..Hα-helixtrans-74.8-43179.5-64-20.9000110.6Y32 F71 A72 A77 E78Y32-N74 HydrophobicContact CD1-CB 4.33Å; Y32-N74 HydrophobicContact CE1-CB 4.14Å; F71-N74 PolarHBondContact O-N 3Å; F71-N74 VanDerWaalsContact O-N 3.11Å; A72-N74 VanDerWaalsContact C-N 3.28Å; A72-N74 PolarHBondContact O-N 3.4Å; N74-A77 PolarHBondContact O-N 2.87Å; N74-E78 WeakPolarHBondContact O-CB 3.27Å; N74-E78 PolarHBondContact O-N 2.86Å
75L93.1Very high93.3Very high70 Ų7083.6 Ų83.637%0.36645%0.447SS..Hα-helixtrans-63.2-44-179.4-62.8174000112Y32 N70 F71 A72 A77 E78 E79Y32-L75 HydrophobicContact CE2-CD2 3.72Å; Y32-L75 WeakPolarHBondContact OH-CD2 3.3Å; N70-L75 HydrophobicContact CB-CD1 4.4Å; F71-L75 PolarHBondContact O-N 3.49Å; A72-L75 PolarHBondContact O-N 3.35Å; L75-A77 VanDerWaalsContact C-N 3.33Å; L75-E78 PolarHBondContact O-N 3.49Å; L75-E79 PolarHBondContact O-N 3.16Å
76V93.6Very high93Very high51 Ų5184.6 Ų84.631%0.30946%0.461SS..Hα-helixtrans-69.2-33.5178.4172.90000111.6A72 E78 G120A72-V76 WeakPolarHBondContact O-CB 3.49Å; A72-V76 WeakPolarHBondContact O-CG2 3.33Å; A72-V76 PolarHBondContact O-N 3.16Å; V76-E78 VanDerWaalsContact C-N 3.31Å; V76-G120 VanDerWaalsContact CG1-O 3.3Å; V76-G120 WeakPolarHBondContact CG1-O 3.37Å
77A92.1Very high92.9Very high76 Ų7683.4 Ų83.463%0.62845%0.449SS*.Hα-helixtrans-73-24.917700000113.2I73 N74 L75I73-A77 VanDerWaalsContact O-CB 3.31Å; I73-A77 WeakPolarHBondContact O-CB 3.48Å; I73-A77 PolarHBondContact O-N 3.39Å; N74-A77 PolarHBondContact O-N 2.87Å; L75-A77 VanDerWaalsContact C-N 3.33Å
78E92.4Very high92.9Very high97 Ų9785.5 Ų85.545%0.45346%0.462SS..Hα-helixtrans-75.8-28.6176.7-171.4169.2171.300112.4H30 Y32 N74 L75 V76H30-E78 IonicContact CD2-OE1 3.74Å; H30-E78 PolarHBondContact CD2-OE1 3.44Å; Y32-E78 PolarHBondContact OH-OE2 2.73Å; N74-E78 WeakPolarHBondContact O-CB 3.27Å; N74-E78 PolarHBondContact O-N 2.86Å; L75-E78 PolarHBondContact O-N 3.49Å; V76-E78 VanDerWaalsContact C-N 3.31Å
79E93.1Very high92.9Very high113 Ų11381.7 Ų81.753%0.52844%0.442SS..SBendtrans-63.6132.2176-73.8-62.9144.500111.7L75 L121L75-E79 PolarHBondContact O-N 3.16Å; E79-L121 HydrophobicContact CB-CD2 3.99Å; E79-L121 HydrophobicContact CG-CD2 4.18Å
80P94Very high93Very high95 Ų9578 Ų7862%0.61743%0.433SS*.PPolyproline II helixtrans-71.3147.9-17629.3-35000112T82P80-T82 PolarHBondContact O-N 2.74Å
81V94.4Very high93.2Very high48 Ų4874 Ų7429%0.29141%0.413SS..PPolyproline II helixtrans-65.6123.8173.5-174.50000109.6H83 V113 Q122 K124V81-H83 PolarHBondContact O-CD2 3.19Å; V81-H83 PolarHBondContact O-N 3.43Å; V81-V113 HydrophobicContact CG1-CG1 4.07Å; V81-V113 HydrophobicContact CG2-CG1 4.49Å; V81-Q122 HydrophobicContact CB-CB 4.44Å; V81-Q122 HydrophobicContact CG1-CB 4.13Å; V81-Q122 HydrophobicContact CG2-CB 4.04Å; V81-K124 HydrophobicContact CG1-CB 3.88Å
82T93.3Very high93.3Very high59 Ų5975 Ų7536%0.36242%0.42SS..EExtended strand (participates in β ladder)trans-81122.4178.8-62.40000110.2P80 L84 Q122 F123 K124P80-T82 PolarHBondContact O-N 2.74Å; T82-L84 HydrophobicContact CG2-CD2 4.11Å; T82-L84 HydrophobicContact CG2-CG 4.15Å; T82-Q122 PolarHBondContact N-O 3.19Å; T82-F123 HydrophobicContact CG2-CD1 4Å; T82-F123 HydrophobicContact CG2-CE1 4.15Å; T82-F123 CarbonylContact O-C 3.44Å; T82-F123 VanDerWaalsContact O-CA 3.28Å; T82-F123 WeakPolarHBondContact O-CA 3.3Å; T82-K124 PolarHBondContact O-N 2.96Å
83H92.7Very high93.3Very high92 Ų9273.4 Ų73.443%0.42641%0.41SS..EExtended strand (participates in β ladder)trans-100.2122.5-177.4-75.3-76.3000112.3V81 K124 K126V81-H83 PolarHBondContact O-CD2 3.19Å; V81-H83 PolarHBondContact O-N 3.43Å; H83-K124 VanDerWaalsContact CA-O 3.3Å; H83-K124 WeakPolarHBondContact CA-O 3.32Å; H83-K126 HydrophobicContact CB-CD 3.65Å; H83-K126 HydrophobicContact CB-CG 3.79Å
84L90.7Very high93.3Very high54 Ų5469.1 Ų69.128%0.28340%0.397SS..EExtended strand (participates in β ladder)trans-126.7155.3-174-60.6170.5000110.9T82 V89 F123 K124 Q125 K126T82-L84 HydrophobicContact CG2-CD2 4.11Å; T82-L84 HydrophobicContact CG2-CG 4.15Å; L84-V89 HydrophobicContact CD1-CB 3.69Å; L84-V89 HydrophobicContact CD1-CG1 4.49Å; L84-V89 HydrophobicContact CD1-CG2 3.32Å; L84-F123 HydrophobicContact CD1-CD1 3.91Å; L84-K124 PolarHBondContact N-O 2.82Å; L84-Q125 CarbonylContact O-C 3.5Å; L84-Q125 WeakPolarHBondContact O-CA 3.46Å; L84-K126 PolarHBondContact O-N 3.35Å
85E90.7Very high93.2Very high129 Ų12968.5 Ų68.560%0.60341%0.409SS*.SBendtrans-86.4-22.9176-59.3-174.5150.200112.2Q125 H128E85-Q125 PolarHBondContact O-NE2 2.59Å; E85-H128 IonicContact OE1-CE1 3.44Å; E85-H128 PolarHBondContact OE1-CE1 3Å; E85-H128 IonicContact OE1-NE2 2.9Å; E85-H128 PolarHBondContact OE1-NE2 2.9Å
86A90.1Very high93.2Very high51 Ų5167.1 Ų67.142%0.42141%0.412SS..SBendtrans-73.3145.3-177.600000112.4
87R92.3Very high93.2Very high154 Ų15469.9 Ų69.958%0.58144%0.44SS*.SBendtrans-69.3-31.5175.7-174.4-177.8169.2164.110.6113.4L107 D108R87-L107 WeakPolarHBondContact O-CB 3.45Å; R87-L107 PolarHBondContact O-N 3.08Å; R87-D108 VanDerWaalsContact CD-OD1 3.3Å; R87-D108 WeakPolarHBondContact CD-OD1 3.35Å; R87-D108 WeakPolarHBondContact CG-OD1 3.3Å; R87-D108 IonicContact CZ-OD1 3.47Å; R87-D108 IonicContact CZ-OD2 3.34Å; R87-D108 IonicContact NE-OD1 2.65Å; R87-D108 PolarHBondContact NE-OD1 3.31Å; R87-D108 IonicContact NE-OD2 2.59Å; R87-D108 PolarHBondContact NE-OD2 3.02Å; R87-D108 VanDerWaalsContact NH2-CG 3.3Å; R87-D108 IonicContact NH2-OD1 3.31Å; R87-D108 PolarHBondContact NH2-OD1 2.65Å; R87-D108 IonicContact NH2-OD2 3.35Å; R87-D108 PolarHBondContact NH2-OD2 2.77Å
88V94Very high93.4Very high71 Ų7174 Ų7443%0.4345%0.45SS..EExtended strand (participates in β ladder)trans-128.8130.5179.4-178.30000108.7Y104 I105V88-Y104 HydrophobicContact CG1-CD1 4.1Å; V88-Y104 HydrophobicContact CG1-CG 4.49Å; V88-I105 WeakPolarHBondContact CA-O 3.31Å
89V94.9Very high93.6Very high17 Ų1771 Ų7110%0.10345%0.446CS..EExtended strand (participates in β ladder)trans-109.4139.3176.761.70000110.6L84 Y104 I105 L107 F123L84-V89 HydrophobicContact CD1-CB 3.69Å; L84-V89 HydrophobicContact CD1-CG1 4.49Å; L84-V89 HydrophobicContact CD1-CG2 3.32Å; V89-Y104 CarbonylContact O-C 3.56Å; V89-Y104 WeakPolarHBondContact O-CA 2.94Å; V89-I105 HydrophobicContact CG1-CB 3.77Å; V89-I105 HydrophobicContact CG1-CD1 4.31Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 PolarHBondContact N-O 3.4Å; V89-I105 PolarHBondContact O-N 3.27Å; V89-L107 HydrophobicContact CB-CD1 4.33Å; V89-L107 HydrophobicContact CG1-CD1 4.08Å; V89-L107 HydrophobicContact CG1-CD2 4.43Å; V89-L107 HydrophobicContact CG1-CG 4.34Å; V89-F123 HydrophobicContact CG1-CB 4.06Å; V89-F123 HydrophobicContact CG1-CD1 4.34Å; V89-F123 HydrophobicContact CG1-CD2 4.13Å; V89-F123 HydrophobicContact CG1-CG 3.91Å; V89-F123 HydrophobicContact CG2-CD1 4.14Å; V89-F123 HydrophobicContact CG2-CE1 4.29Å
90S95.5Very high93.7Very high62 Ų6266.8 Ų66.843%0.43443%0.426SS..EExtended strand (participates in β ladder)trans-94.8125.4167.6640000110.6V103S90-V103 CarbonylContact C-O 3.49Å; S90-V103 VanDerWaalsContact CA-O 3.31Å; S90-V103 WeakPolarHBondContact CA-O 3.3Å
91C95.9Very high93.9Very high8 Ų866.5 Ų66.55%0.05442%0.424CS..EExtended strand (participates in β ladder)trans-118130174.9-173.90000109.3H100 K102 V103 I105 C116 F123C91-H100 PolarHBondContact O-CE1 3.02Å; C91-H100 PolarHBondContact SG-NE2 2.83Å; C91-K102 WeakPolarHBondContact O-CA 3.31Å; C91-V103 HydrophobicContact CB-CG2 4.4Å; C91-V103 PolarHBondContact N-O 2.92Å; C91-V103 PolarHBondContact O-N 3.06Å; C91-I105 HydrophobicContact CB-CD1 4.11Å; C91-C116 VanDerWaalsContact SG-SG 3.7Å; C91-F123 HydrophobicContact CB-CE2 4.31Å; C91-F123 HydrophobicContact CB-CZ 4.37Å
92D96.6Very high94Very high56 Ų5670 Ų7030%0.29944%0.436SS..  trans-120.53.2174.359.4-0.6000112.1G94 G99 H100D92-G94 PolarHBondContact O-N 2.82Å; D92-G94 PolarHBondContact OD1-N 3.49Å; D92-G99 CarbonylContact O-C 3.55Å; D92-G99 VanDerWaalsContact O-CA 3.27Å; D92-G99 WeakPolarHBondContact O-CA 3.27Å; D92-H100 PolarHBondContact O-N 3.46Å
93G93.5Very high94.1Very high34 Ų3469.1 Ų69.135%0.35143%0.43SS..  trans75.75.6-176.600000114.9H100 C119G93-H100 PolarHBondContact N-NE2 3.01Å; G93-H100 VanDerWaalsContact N-NE2 3.16Å; G93-C119 WeakPolarHBondContact CA-SG 3.44Å
94G93.3Very high94.3Very high39 Ų3972.3 Ų72.340%0.40244%0.439SS..SBendtrans81.8159.2-177.900000113.4D92 G96 G99D92-G94 PolarHBondContact O-N 2.82Å; D92-G94 PolarHBondContact OD1-N 3.49Å; G94-G96 PolarHBondContact O-N 3.34Å; G94-G99 PolarHBondContact O-N 2.54Å
95G91.2Very high94.6Very high62 Ų6270.7 Ų70.764%0.63943%0.431SS*.SBendtrans71.613.5178.600000115A97 L98G95-A97 PolarHBondContact O-N 3.02Å; G95-L98 PolarHBondContact O-N 3.29Å; G95-L98 VanDerWaalsContact O-N 3.16Å
96G92.2Very high94.7Very high42 Ų4268.9 Ų68.943%0.43343%0.425SS..G310 helixtrans61.1-106.4177.900000111.8G94 L98 G99G94-G96 PolarHBondContact O-N 3.34Å; G96-L98 PolarHBondContact O-N 3.39Å; G96-G99 PolarHBondContact O-N 3.41Å
97A94.3Very high94.9Very high108 Ų10866.8 Ų66.889%0.89341%0.407SS*.G310 helixtrans-72.8-12.418000000114.3G95G95-A97 PolarHBondContact O-N 3.02Å
98L96.5Very high94.8Very high162 Ų16262.2 Ų62.285%0.84839%0.394SS*.G310 helixtrans-84.6-10.8178.7-62.6177.8000113.6G95 G96G95-L98 PolarHBondContact O-N 3.29Å; G95-L98 VanDerWaalsContact O-N 3.16Å; G96-L98 PolarHBondContact O-N 3.39Å
99G95.4Very high94.4Very high36 Ų3665.9 Ų65.937%0.37140%0.404SS..SBendtrans-93.1-145178.300000112.6D92 G94 G96D92-G99 CarbonylContact O-C 3.55Å; D92-G99 VanDerWaalsContact O-CA 3.27Å; D92-G99 WeakPolarHBondContact O-CA 3.27Å; G94-G99 PolarHBondContact O-N 2.54Å; G96-G99 PolarHBondContact O-N 3.41Å
100H96.9Very high93.7Very high24 Ų2469 Ų6911%0.11142%0.421CS..PPolyproline II helixtrans-101.9166.817664.277.2000111.1C91 D92 G93 K102 C116 Y118 C119C91-H100 PolarHBondContact O-CE1 3.02Å; C91-H100 PolarHBondContact SG-NE2 2.83Å; D92-H100 PolarHBondContact O-N 3.46Å; G93-H100 PolarHBondContact N-NE2 3.01Å; G93-H100 VanDerWaalsContact N-NE2 3.16Å; H100-K102 PolarHBondContact O-N 3.29Å; H100-C116 VanDerWaalsContact CE1-SG 3.57Å; H100-C116 PolarHBondContact NE2-SG 3Å; H100-C116 VanDerWaalsContact NE2-SG 3.44Å; H100-Y118 HydrophobicContact CB-CD1 3.77Å; H100-Y118 HydrophobicContact CB-CD2 4.31Å; H100-Y118 HydrophobicContact CB-CE1 4.44Å; H100-Y118 HydrophobicContact CB-CG 3.7Å; H100-Y118 WeakPolarHBondContact CD2-CB 3.34Å; H100-Y118 AromaticContact CD2-CG 3.99Å; H100-Y118 AromaticContact CE1-CD2 3.87Å; H100-Y118 AromaticContact CG-CD2 3.86Å; H100-Y118 AromaticContact CG-CG 3.53Å; H100-Y118 AromaticContact ND1-CD2 3.48Å; H100-Y118 WeakPolarHBondContact ND1-CD2 3.32Å; H100-Y118 AromaticContact ND1-CG 3.67Å; H100-C119 PolarHBondContact CD2-SG 3.07Å; H100-C119 PolarHBondContact NE2-SG 2.97Å; H100-C119 VanDerWaalsContact NE2-SG 3.44Å
101P96.9Very high93Very high89 Ų8972.2 Ų72.258%0.57844%0.438SS*.PPolyproline II helixtrans-52.7135.5174.1-26.836.1000111.4V103P101-V103 PolarHBondContact O-N 2.86Å; P101-V103 VanDerWaalsContact O-N 3.15Å
102K96.6Very high92.5Very high122 Ų12279 Ų7953%0.5347%0.466SS..PPolyproline II helixtrans-57121.5179.1178.9177.5-67.5-160.80109.8C91 H100 Y104C91-K102 WeakPolarHBondContact O-CA 3.31Å; H100-K102 PolarHBondContact O-N 3.29Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 HydrophobicContact CG-CE2 4.29Å
103V96.9Very high92.3Very high40 Ų4079 Ų7924%0.24247%0.468CS..EExtended strand (participates in β ladder)trans-120.7152.9174.3-68.30000111.7S90 C91 P101 Y118S90-V103 CarbonylContact C-O 3.49Å; S90-V103 VanDerWaalsContact CA-O 3.31Å; S90-V103 WeakPolarHBondContact CA-O 3.3Å; C91-V103 HydrophobicContact CB-CG2 4.4Å; C91-V103 PolarHBondContact N-O 2.92Å; C91-V103 PolarHBondContact O-N 3.06Å; P101-V103 PolarHBondContact O-N 2.86Å; P101-V103 VanDerWaalsContact O-N 3.15Å; V103-Y118 HydrophobicContact CG1-CD2 4.19Å; V103-Y118 HydrophobicContact CG1-CE2 3.56Å; V103-Y118 HydrophobicContact CG2-CD2 4.21Å; V103-Y118 HydrophobicContact CG2-CE2 4.41Å
104Y96.2Very high92.3Very high158 Ų15877.9 Ų77.962%0.6246%0.457SS*.EExtended strand (participates in β ladder)trans-109.5125177.9-64.7-88.7000109.5V88 V89 K102V88-Y104 HydrophobicContact CG1-CD1 4.1Å; V88-Y104 HydrophobicContact CG1-CG 4.49Å; V89-Y104 CarbonylContact O-C 3.56Å; V89-Y104 WeakPolarHBondContact O-CA 2.94Å; K102-Y104 HydrophobicContact CD-CE2 4.27Å; K102-Y104 HydrophobicContact CG-CE2 4.29Å
105I95.8Very high92.4Very high20 Ų2079.4 Ų79.410%0.10346%0.458CS..EExtended strand (participates in β ladder)trans-111.2128.2-176.8-55.5161.9000107.7V88 V89 C91 L107 C116 F123V88-I105 WeakPolarHBondContact CA-O 3.31Å; V89-I105 HydrophobicContact CG1-CB 3.77Å; V89-I105 HydrophobicContact CG1-CD1 4.31Å; V89-I105 HydrophobicContact CG1-CG1 4.49Å; V89-I105 PolarHBondContact N-O 3.4Å; V89-I105 PolarHBondContact O-N 3.27Å; C91-I105 HydrophobicContact CB-CD1 4.11Å; I105-L107 HydrophobicContact CG2-CD2 4.21Å; I105-C116 HydrophobicContact CD1-CB 3.66Å; I105-F123 HydrophobicContact CD1-CD2 3.89Å; I105-F123 HydrophobicContact CD1-CE2 3.95Å
106N94.4Very high92.7Very high91 Ų9176.5 Ų76.549%0.48743%0.428SS..EExtended strand (participates in β ladder)trans-84.5130.7179.3-168.414.4000111.1D108N106-D108 VanDerWaalsContact ND2-CG 3.3Å; N106-D108 PolarHBondContact ND2-OD2 2.98Å; N106-D108 PolarHBondContact OD1-N 3.47Å; N106-D108 PolarHBondContact OD1-OD1 3.34Å; N106-D108 PolarHBondContact OD1-OD2 3.02Å
107L92.9Very high92.8Very high7 Ų778.3 Ų78.34%0.03745%0.447CS..  trans-111.714.3-177-54.2-179.4000113.7R87 V89 I105 K109 F123 Q125R87-L107 WeakPolarHBondContact O-CB 3.45Å; R87-L107 PolarHBondContact O-N 3.08Å; V89-L107 HydrophobicContact CB-CD1 4.33Å; V89-L107 HydrophobicContact CG1-CD1 4.08Å; V89-L107 HydrophobicContact CG1-CD2 4.43Å; V89-L107 HydrophobicContact CG1-CG 4.34Å; I105-L107 HydrophobicContact CG2-CD2 4.21Å; L107-K109 PolarHBondContact O-N 3.39Å; L107-F123 HydrophobicContact CD1-CB 4.18Å; L107-F123 HydrophobicContact CD2-CB 3.9Å; L107-Q125 HydrophobicContact CB-CB 4.11Å
108D89.8Confident92.9Very high59 Ų5979.8 Ų79.832%0.31643%0.431SS..  trans-55.3-21.7-179.8-70.4-10000116.2R87 N106R87-D108 VanDerWaalsContact CD-OD1 3.3Å; R87-D108 WeakPolarHBondContact CD-OD1 3.35Å; R87-D108 WeakPolarHBondContact CG-OD1 3.3Å; R87-D108 IonicContact CZ-OD1 3.47Å; R87-D108 IonicContact CZ-OD2 3.34Å; R87-D108 IonicContact NE-OD1 2.65Å; R87-D108 PolarHBondContact NE-OD1 3.31Å; R87-D108 IonicContact NE-OD2 2.59Å; R87-D108 PolarHBondContact NE-OD2 3.02Å; R87-D108 VanDerWaalsContact NH2-CG 3.3Å; R87-D108 IonicContact NH2-OD1 3.31Å; R87-D108 PolarHBondContact NH2-OD1 2.65Å; R87-D108 IonicContact NH2-OD2 3.35Å; R87-D108 PolarHBondContact NH2-OD2 2.77Å; N106-D108 VanDerWaalsContact ND2-CG 3.3Å; N106-D108 PolarHBondContact ND2-OD2 2.98Å; N106-D108 PolarHBondContact OD1-N 3.47Å; N106-D108 PolarHBondContact OD1-OD1 3.34Å; N106-D108 PolarHBondContact OD1-OD2 3.02Å
109K87Confident92.9Very high147 Ų14774.3 Ų74.364%0.63941%0.405SS*.  trans-100.897.5-172.9-64.3-173.4-178.7-171.20110L107 T111 K112L107-K109 PolarHBondContact O-N 3.39Å; K109-T111 PolarHBondContact O-N 3.2Å; K109-T111 VanDerWaalsContact O-N 3.07Å; K109-K112 PolarHBondContact O-N 3.49Å
110D80.1Confident92.9Very high84 Ų8473.4 Ų73.445%0.44940%0.396SS..THydrogen-bonded Turntrans-62-23-177.3-56-19.8000114.5K112 K124 H127D110-K112 VanDerWaalsContact C-N 3.34Å; D110-K124 VanDerWaalsContact O-CE 3.32Å; D110-K124 WeakPolarHBondContact O-CE 3.22Å; D110-K124 PolarHBondContact O-NZ 3.46Å; D110-H127 IonicContact OD1-CD2 3.58Å; D110-H127 IonicContact OD1-CE1 3.43Å; D110-H127 IonicContact OD1-NE2 2.74Å; D110-H127 PolarHBondContact OD1-NE2 3.37Å; D110-H127 IonicContact OD2-CD2 3.55Å; D110-H127 IonicContact OD2-NE2 3.52Å; D110-H127 PolarHBondContact OD2-NE2 3.4Å
111T80.6Confident92.8Very high129 Ų12974.9 Ų74.979%0.79140%0.404SS*.THydrogen-bonded Turntrans-76.7-17.717953.60000113.3K109K109-T111 PolarHBondContact O-N 3.2Å; K109-T111 VanDerWaalsContact O-N 3.07Å
112K85.4Confident92.7Very high149 Ų14973.6 Ų73.665%0.64839%0.391SS*.SBendtrans-128.5146.9-176.7-65-170.4178.5-170.60111.1K109 D110K109-K112 PolarHBondContact O-N 3.49Å; D110-K112 VanDerWaalsContact C-N 3.34Å
113V91.6Very high92.6Very high56 Ų5668.6 Ų68.634%0.33937%0.369SS..  trans-78.7141.1167.7-65.30000109.4V81 T115 Q122 K124V81-V113 HydrophobicContact CG1-CG1 4.07Å; V81-V113 HydrophobicContact CG2-CG1 4.49Å; V113-T115 PolarHBondContact O-N 2.9Å; V113-Q122 HydrophobicContact CB-CB 4.32Å; V113-Q122 HydrophobicContact CG2-CB 4.36Å; V113-Q122 HydrophobicContact CG2-CG 4.29Å; V113-K124 HydrophobicContact CG1-CB 4.46Å; V113-K124 HydrophobicContact CG1-CD 4.44Å
114G94.3Very high92.5Very high11 Ų1170.4 Ų70.411%0.11337%0.373CS..EExtended strand (participates in β ladder)trans-83109.517100000109.5F123G114-F123 PolarHBondContact N-O 3.44Å; G114-F123 PolarHBondContact O-N 3.14Å
115T95.8Very high92.3Very high71 Ų7164.6 Ų64.644%0.43635%0.352SS..EExtended strand (participates in β ladder)trans-94.7133.5179.8-52.10000110.7V113 G120 L121 Q122V113-T115 PolarHBondContact O-N 2.9Å; T115-G120 WeakPolarHBondContact CG2-O 3.28Å; T115-L121 WeakPolarHBondContact CA-O 3.47Å; T115-Q122 HydrophobicContact CG2-CG 4.42Å
116C96.4Very high92Very high2 Ų269 Ų691%0.01437%0.37CS..  trans-71127.8171.1-176.40000110.6C91 H100 I105 Y118 G120 L121 F123C91-C116 VanDerWaalsContact SG-SG 3.7Å; H100-C116 VanDerWaalsContact CE1-SG 3.57Å; H100-C116 PolarHBondContact NE2-SG 3Å; H100-C116 VanDerWaalsContact NE2-SG 3.44Å; I105-C116 HydrophobicContact CD1-CB 3.66Å; C116-Y118 PolarHBondContact O-N 2.97Å; C116-Y118 VanDerWaalsContact O-N 3.16Å; C116-G120 VanDerWaalsContact O-CA 3.3Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 2.88Å; C116-L121 PolarHBondContact N-O 3.49Å; C116-F123 HydrophobicContact CB-CE2 4.26Å
117G95.5Very high91.2Very high80 Ų8069.1 Ų69.183%0.82537%0.368SS*.THydrogen-bonded Turntrans-68.7-7.7178.800000115.3
118Y96.6Very high89.8Confident139 Ų13975.9 Ų75.955%0.54540%0.399SS..THydrogen-bonded Turntrans-106.4-68.3179-65.6-85.3000111.3H100 V103 C116 G120H100-Y118 HydrophobicContact CB-CD1 3.77Å; H100-Y118 HydrophobicContact CB-CD2 4.31Å; H100-Y118 HydrophobicContact CB-CE1 4.44Å; H100-Y118 HydrophobicContact CB-CG 3.7Å; H100-Y118 WeakPolarHBondContact CD2-CB 3.34Å; H100-Y118 AromaticContact CD2-CG 3.99Å; H100-Y118 AromaticContact CE1-CD2 3.87Å; H100-Y118 AromaticContact CG-CD2 3.86Å; H100-Y118 AromaticContact CG-CG 3.53Å; H100-Y118 AromaticContact ND1-CD2 3.48Å; H100-Y118 WeakPolarHBondContact ND1-CD2 3.32Å; H100-Y118 AromaticContact ND1-CG 3.67Å; V103-Y118 HydrophobicContact CG1-CD2 4.19Å; V103-Y118 HydrophobicContact CG1-CE2 3.56Å; V103-Y118 HydrophobicContact CG2-CD2 4.21Å; V103-Y118 HydrophobicContact CG2-CE2 4.41Å; C116-Y118 PolarHBondContact O-N 2.97Å; C116-Y118 VanDerWaalsContact O-N 3.16Å; Y118-G120 VanDerWaalsContact C-N 3.31Å; Y118-G120 PolarHBondContact O-N 3.07Å
119C95.3Very high88Confident46 Ų4685.2 Ų85.231%0.31144%0.44SS..THydrogen-bonded Turntrans-75.8-15.8-178-70.20000114.4G93 H100 L121G93-C119 WeakPolarHBondContact CA-SG 3.44Å; H100-C119 PolarHBondContact CD2-SG 3.07Å; H100-C119 PolarHBondContact NE2-SG 2.97Å; H100-C119 VanDerWaalsContact NE2-SG 3.44Å; C119-L121 HydrophobicContact CB-CB 4.48Å; C119-L121 HydrophobicContact CB-CD1 4.25Å; C119-L121 HydrophobicContact CB-CG 4.02Å; C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.12Å
120G95.3Very high88Confident17 Ų1782.2 Ų82.218%0.17543%0.43CS..  trans71.7-2.8-173.900000114.9V76 T115 C116 Y118V76-G120 VanDerWaalsContact CG1-O 3.3Å; V76-G120 WeakPolarHBondContact CG1-O 3.37Å; T115-G120 WeakPolarHBondContact CG2-O 3.28Å; C116-G120 VanDerWaalsContact O-CA 3.3Å; C116-G120 WeakPolarHBondContact O-CA 3.45Å; C116-G120 PolarHBondContact O-N 2.88Å; Y118-G120 VanDerWaalsContact C-N 3.31Å; Y118-G120 PolarHBondContact O-N 3.07Å
121L95.3Very high88.5Confident56 Ų5682.1 Ų82.129%0.29343%0.429SS..  trans-59.8145174.8-67176.7000111.3E79 T115 C116 C119 F123E79-L121 HydrophobicContact CB-CD2 3.99Å; E79-L121 HydrophobicContact CG-CD2 4.18Å; T115-L121 WeakPolarHBondContact CA-O 3.47Å; C116-L121 PolarHBondContact N-O 3.49Å; C119-L121 HydrophobicContact CB-CB 4.48Å; C119-L121 HydrophobicContact CB-CD1 4.25Å; C119-L121 HydrophobicContact CB-CG 4.02Å; C119-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact O-N 3.12Å; L121-F123 HydrophobicContact CB-CE2 4.05Å; L121-F123 HydrophobicContact CB-CZ 4.11Å
122Q95.1Very high88.9Confident62 Ų6279.4 Ų79.429%0.2941%0.409SS..EExtended strand (participates in β ladder)trans-109.7137.2-174.8-60.6179.69.400110.4V81 T82 V113 T115V81-Q122 HydrophobicContact CB-CB 4.44Å; V81-Q122 HydrophobicContact CG1-CB 4.13Å; V81-Q122 HydrophobicContact CG2-CB 4.04Å; T82-Q122 PolarHBondContact N-O 3.19Å; V113-Q122 HydrophobicContact CB-CB 4.32Å; V113-Q122 HydrophobicContact CG2-CB 4.36Å; V113-Q122 HydrophobicContact CG2-CG 4.29Å; T115-Q122 HydrophobicContact CG2-CG 4.42Å
123F94.9Very high89.1Confident17 Ų1775.4 Ų75.48%0.07540%0.395CS..EExtended strand (participates in β ladder)trans-124.9144.4179.7-57.3-85.3000110.3T82 L84 V89 C91 I105 L107 G114 C116 L121T82-F123 HydrophobicContact CG2-CD1 4Å; T82-F123 HydrophobicContact CG2-CE1 4.15Å; T82-F123 CarbonylContact O-C 3.44Å; T82-F123 VanDerWaalsContact O-CA 3.28Å; T82-F123 WeakPolarHBondContact O-CA 3.3Å; L84-F123 HydrophobicContact CD1-CD1 3.91Å; V89-F123 HydrophobicContact CG1-CB 4.06Å; V89-F123 HydrophobicContact CG1-CD1 4.34Å; V89-F123 HydrophobicContact CG1-CD2 4.13Å; V89-F123 HydrophobicContact CG1-CG 3.91Å; V89-F123 HydrophobicContact CG2-CD1 4.14Å; V89-F123 HydrophobicContact CG2-CE1 4.29Å; C91-F123 HydrophobicContact CB-CE2 4.31Å; C91-F123 HydrophobicContact CB-CZ 4.37Å; I105-F123 HydrophobicContact CD1-CD2 3.89Å; I105-F123 HydrophobicContact CD1-CE2 3.95Å; L107-F123 HydrophobicContact CD1-CB 4.18Å; L107-F123 HydrophobicContact CD2-CB 3.9Å; G114-F123 PolarHBondContact N-O 3.44Å; G114-F123 PolarHBondContact O-N 3.14Å; C116-F123 HydrophobicContact CB-CE2 4.26Å; L121-F123 HydrophobicContact CB-CE2 4.05Å; L121-F123 HydrophobicContact CB-CZ 4.11Å
124K94.3Very high88.9Confident77 Ų7776.6 Ų76.634%0.33540%0.399SS..EExtended strand (participates in β ladder)trans-140.7139.1175.2-169.4171.3-175.7175.10111.1V81 T82 H83 L84 D110 V113V81-K124 HydrophobicContact CG1-CB 3.88Å; T82-K124 PolarHBondContact O-N 2.96Å; H83-K124 VanDerWaalsContact CA-O 3.3Å; H83-K124 WeakPolarHBondContact CA-O 3.32Å; L84-K124 PolarHBondContact N-O 2.82Å; D110-K124 VanDerWaalsContact O-CE 3.32Å; D110-K124 WeakPolarHBondContact O-CE 3.22Å; D110-K124 PolarHBondContact O-NZ 3.46Å; V113-K124 HydrophobicContact CG1-CB 4.46Å; V113-K124 HydrophobicContact CG1-CD 4.44Å
125Q92.8Very high88.6Confident36 Ų3680.9 Ų80.917%0.16842%0.418CS..EExtended strand (participates in β ladder)trans-73.3133.3174.1-164.6174.6-1.700110.6L84 E85 L107L84-Q125 CarbonylContact O-C 3.5Å; L84-Q125 WeakPolarHBondContact O-CA 3.46Å; E85-Q125 PolarHBondContact O-NE2 2.59Å; L107-Q125 HydrophobicContact CB-CB 4.11Å
126K88.1Confident88.1Confident112 Ų11281.6 Ų81.649%0.48742%0.416SS..PPolyproline II helixtrans-84.5120.4166.6-84.3164.1166.7162.60108.2H83 L84H83-K126 HydrophobicContact CB-CD 3.65Å; H83-K126 HydrophobicContact CB-CG 3.79Å; L84-K126 PolarHBondContact O-N 3.35Å
127H77.9Confident87.4Confident94 Ų9487.8 Ų87.844%0.43545%0.447SS..PPolyproline II helixtrans-91.9129.7168.5-67.6-67.9000109.2D110 H129D110-H127 IonicContact OD1-CD2 3.58Å; D110-H127 IonicContact OD1-CE1 3.43Å; D110-H127 IonicContact OD1-NE2 2.74Å; D110-H127 PolarHBondContact OD1-NE2 3.37Å; D110-H127 IonicContact OD2-CD2 3.55Å; D110-H127 IonicContact OD2-NE2 3.52Å; D110-H127 PolarHBondContact OD2-NE2 3.4Å; H127-H129 PolarHBondContact O-N 3.46Å
128H64.1Low86.8Confident150 Ų15088.4 Ų88.469%0.69442%0.416SS*.PPolyproline II helixtrans-78.5116.1168.2-69.1-75000107.2E85E85-H128 IonicContact OE1-CE1 3.44Å; E85-H128 PolarHBondContact OE1-CE1 3Å; E85-H128 IonicContact OE1-NE2 2.9Å; E85-H128 PolarHBondContact OE1-NE2 2.9Å
129H51.6Low85.9Confident255 Ų25583.8 Ų83.8100%1.18140%0.404SS*.  trans-91.60164.7-87.7-65.8000109.5H127H127-H129 PolarHBondContact O-N 3.46Å

Retrieved 129 of 129 residues in 32.1 ms (Link to these results)