A0A096NGT5_PAPAN Loading...

Cytochrome c oxidase subunit 5B, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NGT5, Species PAPAN (Papio anubis, Olive baboon), 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
1M48.3Very low51Low245 Ų245144.3 Ų144.3100%1.20786%0.862SS**  0132.50-78.4-76.6-17100108.1
2A49.6Very low51.2Low103 Ų103146.6 Ų146.685%0.85187%0.866SS**  trans71110.9173.700000118.4
3S43.4Very low51.5Low122 Ų122142.3 Ų142.385%0.85386%0.857SS**  -146.2117.1126.4-166.40000109.3
4R59.6Low51.8Low226 Ų226139.1 Ų139.185%0.85385%0.854SS**  trans-76.3156.1167.3-68.8176.2171.6-169.3-2.7108.1
5L55.1Low52.1Low151 Ų151141.8 Ų141.879%0.79185%0.852SS**  trans171.399.7140.2-87.8161.4000106.7
6L52.5Low52.2Low136 Ų136138.8 Ų138.871%0.71285%0.847SS**  82.2112.699.3-79.3179.3000115.4
7R49.9Very low52.1Low240 Ų240139.9 Ų139.991%0.90685%0.846SS**  trans51.2115.7132.8-67.8-177.3178.3-149.9-2.4119.2
8G48.6Very low52.3Low78 Ų78145.1 Ų145.180%0.80485%0.848SS**  trans-164.479.8152.200000110.7G10G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.16Å
9A53.2Low52.2Low113 Ų113144.3 Ų144.393%0.93485%0.845SS**  trans-76.493.5165.600000107.9
10G44.6Very low52.4Low72 Ų72148.5 Ų148.574%0.74285%0.846SS**  trans-87.599.7170.200000109.6G8 L12G8-G10 PolarHBondContact O-N 3.06Å; G8-G10 VanDerWaalsContact O-N 3.16Å; G10-L12 PolarHBondContact O-N 3.04Å; G10-L12 VanDerWaalsContact O-N 3.16Å
11A56.3Low52.7Low101 Ų101143.4 Ų143.484%0.83583%0.826SS**  trans-73100.2166.200000108.6A13A11-A13 PolarHBondContact O-N 3.47Å
12L53.3Low53Low172 Ų172138 Ų13890%0.90181%0.809SS**  trans-80.195.9163.9-79.1167.7000107.9G10 A14G10-L12 PolarHBondContact O-N 3.04Å; G10-L12 VanDerWaalsContact O-N 3.16Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.65Å
13A55.5Low53.4Low91 Ų91137.7 Ų137.775%0.75280%0.801SS**  trans-6596.6164.400000108.3A11 Q15A11-A13 PolarHBondContact O-N 3.47Å; A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-N 3.1Å
14A55.2Low54.1Low98 Ų98135.4 Ų135.481%0.8180%0.796SS**  trans-67.9106.1166.700000107.7L12 A16L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.65Å; A14-A16 PolarHBondContact O-N 3.12Å
15Q55.9Low54Low179 Ų179131.1 Ų131.184%0.83680%0.795SS**  trans-62.2108.7170-66.2177.930.500107.7A13 L17A13-Q15 PolarHBondContact O-N 2.99Å; A13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.48Å
16A54.4Low54.3Low93 Ų93127.7 Ų127.777%0.76979%0.788SS**  trans-66.896.1168.800000108A14 R18A14-A16 PolarHBondContact O-N 3.12Å; A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.14Å
17L50Low54.6Low158 Ų158125.8 Ų125.883%0.82779%0.793SS**  trans-61.694.7163-80.7160000107.2Q15 V19Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.48Å; L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.47Å
18R55.6Low55.1Low233 Ų233120.7 Ų120.788%0.87979%0.788SS**  trans-66.195.5161.9-72.6-173.6179.7162.50.2106.5A16 R20A16-R18 VanDerWaalsContact C-N 3.26Å; A16-R18 PolarHBondContact O-N 3.14Å; R18-R20 PolarHBondContact O-N 3.38Å
19V51.6Low55.8Low130 Ų130124.9 Ų124.979%0.78878%0.779SS**  trans-60.996.2161.5175.30000105.9L17 G21L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.47Å; V19-G21 PolarHBondContact O-N 3.07Å
20R55.9Low56.2Low229 Ų229124.7 Ų124.786%0.86477%0.771SS**  trans-63.995.8157.3-106.5176.1166.4163.8-5.3104.7R18R18-R20 PolarHBondContact O-N 3.38Å
21G58.6Low56.9Low42 Ų42129.5 Ų129.543%0.43378%0.776SS.*  trans-51.915216100000108.6V19 S23V19-G21 PolarHBondContact O-N 3.07Å; G21-S23 PolarHBondContact O-N 3.14Å
22P54Low57Low130 Ų130128.6 Ų128.684%0.84477%0.769SS**  trans-56.1114.1-179.224.7-30.8000107.2G24P22-G24 PolarHBondContact O-N 3.37Å
23S58.9Low57.3Low97 Ų97127.9 Ų127.968%0.67877%0.772SS**  trans-52.5114.4165.4-64.10000105.3G21 V25G21-S23 PolarHBondContact O-N 3.14Å; S23-V25 PolarHBondContact O-N 2.78Å
24G58.1Low57.7Low74 Ų74126.2 Ų126.276%0.76376%0.764SS**  trans-48.2111175.800000107P22 A26P22-G24 PolarHBondContact O-N 3.37Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.17Å
25V56.8Low58.4Low136 Ų136125.6 Ų125.682%0.82477%0.767SS**  trans-65.2103.9-180-1780000104.2S23 A27S23-V25 PolarHBondContact O-N 2.78Å; V25-A27 PolarHBondContact O-N 2.85Å
26A60.5Low59.7Low79 Ų79120.6 Ų120.665%0.65376%0.763SS**  trans-57.1110.3166.900000105.3G24 V28G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.17Å; A26-V28 PolarHBondContact O-N 2.91Å
27A60.3Low61.4Low97 Ų97124 Ų12480%0.80277%0.767SS**  trans-67.985.5177.500000107.9V25 R29V25-A27 PolarHBondContact O-N 2.85Å; A27-R29 PolarHBondContact O-N 3.34Å
28V60.3Low63.2Low132 Ų132119.7 Ų119.780%0.875%0.748SS**  trans-79.4108.9169.5-178.50000106.3A26A26-V28 PolarHBondContact O-N 2.91Å
29R62.6Low65Low166 Ų166112.2 Ų112.263%0.62673%0.728SS**PPolyproline II helixtrans-70.4139.7174.5-86.4-171.7169.9-156.73.1110.5A27 M31 E42A27-R29 PolarHBondContact O-N 3.34Å; R29-M31 PolarHBondContact O-N 3.23Å; R29-E42 IonicContact CZ-OE1 3.18Å; R29-E42 IonicContact NH1-OE1 3.51Å; R29-E42 PolarHBondContact NH1-OE1 3.35Å; R29-E42 IonicContact NH2-OE1 3.57Å
30S61.4Low67Low109 Ų109111 Ų11176%0.76272%0.717SS**PPolyproline II helixtrans-59.2127.9158.8-175.70000108.4A32S30-A32 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact O-N 3.09Å
31M59.5Low68.8Low173 Ų173103.7 Ų103.785%0.85270%0.696SS**PPolyproline II helixtrans-51119172.7-64.7-71.7-84.200108.1R29 T33R29-M31 PolarHBondContact O-N 3.23Å; M31-T33 PolarHBondContact O-N 2.86Å
32A58.8Low70.4Confident82 Ų82105.8 Ų105.868%0.67869%0.694SS**PPolyproline II helixtrans-57.5129.1-176.200000109.6S30 G34S30-A32 PolarHBondContact O-N 3.49Å; S30-A32 VanDerWaalsContact O-N 3.09Å; A32-G34 PolarHBondContact O-N 2.86Å
33T60Low72.3Confident158 Ų158106.2 Ų106.297%0.96969%0.685SS**SBendtrans-71.97.8178.342.90000113.6M31M31-T33 PolarHBondContact O-N 2.86Å
34G62.1Low74Confident56 Ų56102 Ų10258%0.57766%0.656SS**SBendtrans-141.1117.9167.300000107.9A32A32-G34 PolarHBondContact O-N 2.86Å
35G71.1Confident75.8Confident85 Ų85103.7 Ų103.788%0.87665%0.651SS**  trans-59.9170.2-168.500000116.4
36G83.9Confident77.6Confident74 Ų7499.1 Ų99.176%0.76363%0.632SS**  trans163.3166.6176.700000112
37I88.2Confident79.2Confident164 Ų164100 Ų10084%0.84163%0.625SS**PPolyproline II helixtrans-87.6124.3170.1-60175.4000107.7
38P89.5Confident80.9Confident68 Ų68101 Ų10144%0.44261%0.613SS.*PPolyproline II helixtrans-60.8146.9179.4-25.135.7000113.3Q43P38-Q43 HydrophobicContact CB-CB 4.1Å; P38-Q43 VanDerWaalsContact CG-OE1 3.31Å
39T92.9Very high82.6Confident75 Ų7599.1 Ų99.146%0.4659%0.592SS.*PPolyproline II helixtrans-91.1161.2172.662.40000111.9D41 E42 Q43T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.04Å; T39-E42 PolarHBondContact N-OE2 3.13Å; T39-E42 VanDerWaalsContact N-OE2 3.14Å; T39-E42 WeakPolarHBondContact O-CB 3.39Å; T39-E42 PolarHBondContact O-N 3.25Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-OE2 3.35Å; T39-Q43 PolarHBondContact O-N 2.87Å
40D94.2Very high84.1Confident104 Ų10494.5 Ų94.556%0.55658%0.577SS**Hα-helixtrans-61.9-34.3179.1-61.4-23.8000112.4E42 Q43 A44 M52D40-E42 PolarHBondContact O-N 3.02Å; D40-E42 VanDerWaalsContact O-N 3.14Å; D40-Q43 PolarHBondContact O-N 2.9Å; D40-A44 HydrophobicContact CB-CB 4.17Å; D40-A44 WeakPolarHBondContact O-CA 3.32Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.81Å; D40-M52 HydrophobicContact CB-SD 3.88Å
41D93.6Very high85.7Confident77 Ų7791 Ų9141%0.41255%0.551SS.*Hα-helixtrans-57.6-31174.3-86.3-41.8000112.6T39 R49 R56T39-D41 VanDerWaalsContact C-N 3.27Å; T39-D41 PolarHBondContact O-N 3.04Å; D41-R49 PolarHBondContact O-NH1 2.91Å; D41-R56 IonicContact OD1-CZ 3.37Å; D41-R56 IonicContact OD1-NH1 2.69Å; D41-R56 PolarHBondContact OD1-NH1 3.46Å; D41-R56 IonicContact OD1-NH2 3.4Å; D41-R56 PolarHBondContact OD1-NH2 2.74Å; D41-R56 IonicContact OD2-NH2 2.78Å; D41-R56 PolarHBondContact OD2-NH2 3.01Å
42E90.9Very high87.4Confident86 Ų8684.9 Ų84.940%0.40252%0.521SS..Hα-helixtrans-92.9-34.1-175.7-62.1177.7114.500113.7R29 T39 D40R29-E42 IonicContact CZ-OE1 3.18Å; R29-E42 IonicContact NH1-OE1 3.51Å; R29-E42 PolarHBondContact NH1-OE1 3.35Å; R29-E42 IonicContact NH2-OE1 3.57Å; T39-E42 PolarHBondContact N-OE2 3.13Å; T39-E42 VanDerWaalsContact N-OE2 3.14Å; T39-E42 WeakPolarHBondContact O-CB 3.39Å; T39-E42 PolarHBondContact O-N 3.25Å; T39-E42 WeakPolarHBondContact OG1-CG 3.49Å; T39-E42 PolarHBondContact OG1-OE2 3.35Å; D40-E42 PolarHBondContact O-N 3.02Å; D40-E42 VanDerWaalsContact O-N 3.14Å
43Q94.3Very high89.1Confident139 Ų13983.9 Ų83.965%0.6550%0.504SS*.Hα-helixtrans-121.2-20.8-170-165.4170.8-65.800114.7P38 T39 D40 T45P38-Q43 HydrophobicContact CB-CB 4.1Å; P38-Q43 VanDerWaalsContact CG-OE1 3.31Å; T39-Q43 PolarHBondContact O-N 2.87Å; D40-Q43 PolarHBondContact O-N 2.9Å; Q43-T45 PolarHBondContact O-N 3.38Å
44A95.6Very high90.8Very high7 Ų776.9 Ų76.96%0.05846%0.462CS..  trans-59.7134.9176.100000109.8D40 E48 R49 M52D40-A44 HydrophobicContact CB-CB 4.17Å; D40-A44 WeakPolarHBondContact O-CA 3.32Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 2.81Å; A44-E48 HydrophobicContact CB-CG 4.03Å; A44-R49 HydrophobicContact CB-CB 4.38Å; A44-R49 WeakPolarHBondContact O-CB 3.36Å; A44-R49 VanDerWaalsContact O-CD 3.31Å; A44-R49 WeakPolarHBondContact O-CD 3.4Å; A44-R49 PolarHBondContact O-NH1 3.38Å; A44-M52 HydrophobicContact CB-CE 4.42Å
45T94.9Very high92.4Very high110 Ų11077.3 Ų77.368%0.67546%0.46SS*.  trans-137.9170.8-175.4-168.30000111.3Q43 E48 R49Q43-T45 PolarHBondContact O-N 3.38Å; T45-E48 PolarHBondContact O-N 3.04Å; T45-R49 PolarHBondContact O-N 3.32Å
46G94.6Very high93.5Very high40 Ų4080.6 Ų80.641%0.41245%0.446SS..Hα-helixtrans54.2-140.9-179.300000113.3E48 R49 E50G46-E48 VanDerWaalsContact C-N 3.26Å; G46-E48 PolarHBondContact O-N 3.14Å; G46-R49 PolarHBondContact O-N 2.82Å; G46-E50 WeakPolarHBondContact O-CG 3.29Å; G46-E50 PolarHBondContact O-N 2.92Å; G46-E50 VanDerWaalsContact O-N 3.11Å
47L94.6Very high94Very high99 Ų9984.7 Ų84.752%0.51844%0.443SS..Hα-helixtrans-60.2-34.2-176.4-177.161.2000113E50 V51 Y62L47-E50 PolarHBondContact O-N 2.85Å; L47-V51 HydrophobicContact CD1-CG2 4.05Å; L47-V51 HydrophobicContact CG-CG2 4.21Å; L47-V51 WeakPolarHBondContact O-CB 3.48Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.45Å; L47-Y62 HydrophobicContact CD1-CD1 3.75Å; L47-Y62 HydrophobicContact CD1-CD2 3.72Å; L47-Y62 HydrophobicContact CD1-CE1 3.44Å; L47-Y62 VanDerWaalsContact CD1-CE1 3.44Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.9Å
48E95.8Very high94.3Very high118 Ų11880.2 Ų80.255%0.55144%0.437SS*.Hα-helixtrans-59.4-49.2176.9179.8-174.6-15000110.9A44 T45 G46 E50 V51 M52A44-E48 HydrophobicContact CB-CG 4.03Å; T45-E48 PolarHBondContact O-N 3.04Å; G46-E48 VanDerWaalsContact C-N 3.26Å; G46-E48 PolarHBondContact O-N 3.14Å; E48-E50 PolarHBondContact O-N 2.9Å; E48-V51 PolarHBondContact O-N 2.85Å; E48-M52 WeakPolarHBondContact O-CB 3.22Å; E48-M52 PolarHBondContact O-N 2.93Å
49R95.1Very high94.5Very high91 Ų9182.2 Ų82.234%0.34344%0.444SS..Hα-helixtrans-62.7-43176.9-167.5-177.6-176.675.95.1111.7D41 A44 T45 G46 M52 L53D41-R49 PolarHBondContact O-NH1 2.91Å; A44-R49 HydrophobicContact CB-CB 4.38Å; A44-R49 WeakPolarHBondContact O-CB 3.36Å; A44-R49 VanDerWaalsContact O-CD 3.31Å; A44-R49 WeakPolarHBondContact O-CD 3.4Å; A44-R49 PolarHBondContact O-NH1 3.38Å; T45-R49 PolarHBondContact O-N 3.32Å; G46-R49 PolarHBondContact O-N 2.82Å; R49-M52 PolarHBondContact O-N 2.89Å; R49-L53 HydrophobicContact CG-CD1 3.97Å; R49-L53 HydrophobicContact CG-CG 4.34Å; R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 VanDerWaalsContact O-CG 3.25Å; R49-L53 WeakPolarHBondContact O-CG 3.31Å; R49-L53 PolarHBondContact O-N 2.84Å
50E94.6Very high94.5Very high70 Ų7081.2 Ų81.233%0.32744%0.436SS..Hα-helixtrans-62.8-46.8-179.1-70.3172.8-15500112G46 L47 E48 L53 A54 Y62G46-E50 WeakPolarHBondContact O-CG 3.29Å; G46-E50 PolarHBondContact O-N 2.92Å; G46-E50 VanDerWaalsContact O-N 3.11Å; L47-E50 PolarHBondContact O-N 2.85Å; E48-E50 PolarHBondContact O-N 2.9Å; E50-L53 PolarHBondContact O-N 2.92Å; E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.5Å; E50-Y62 HydrophobicContact CB-CE2 4.05Å; E50-Y62 PolarHBondContact OE2-OH 3.26Å
51V95.4Very high94.5Very high36 Ų3677.6 Ų77.622%0.21842%0.418CS..Hα-helixtrans-59.7-48.2174.9168.10000110.6L47 E48 L53 A54 A55 Y62 I64L47-V51 HydrophobicContact CD1-CG2 4.05Å; L47-V51 HydrophobicContact CG-CG2 4.21Å; L47-V51 WeakPolarHBondContact O-CB 3.48Å; L47-V51 VanDerWaalsContact O-CG2 3.26Å; L47-V51 WeakPolarHBondContact O-CG2 3.25Å; L47-V51 PolarHBondContact O-N 3.45Å; E48-V51 PolarHBondContact O-N 2.85Å; V51-L53 PolarHBondContact O-N 3.5Å; V51-A54 PolarHBondContact O-N 3.02Å; V51-A55 WeakPolarHBondContact O-CB 3.29Å; V51-A55 PolarHBondContact O-N 3.06Å; V51-Y62 HydrophobicContact CG2-CD2 3.47Å; V51-Y62 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y62 HydrophobicContact CG2-CE2 4.19Å; V51-Y62 HydrophobicContact CG2-CG 4.05Å; V51-I64 HydrophobicContact CB-CD1 4.43Å; V51-I64 HydrophobicContact CG1-CD1 3.32Å; V51-I64 HydrophobicContact CG2-CD1 4.19Å
52M95.8Very high94.6Very high44 Ų4477 Ų7722%0.21741%0.41CS..Hα-helixtrans-58.8-45.4179.8-178-176.270.700111.9D40 A44 E48 R49 R56D40-M52 HydrophobicContact CB-SD 3.88Å; A44-M52 HydrophobicContact CB-CE 4.42Å; E48-M52 WeakPolarHBondContact O-CB 3.22Å; E48-M52 PolarHBondContact O-N 2.93Å; R49-M52 PolarHBondContact O-N 2.89Å; M52-R56 PolarHBondContact O-N 3.43Å; M52-R56 VanDerWaalsContact O-N 3.16Å
53L94.8Very high94.8Very high60 Ų6077 Ų7731%0.31441%0.413SS..Hα-helixtrans-70.2-35.3178.9-68.9176.3000112.7R49 E50 V51 K57R49-L53 HydrophobicContact CG-CD1 3.97Å; R49-L53 HydrophobicContact CG-CG 4.34Å; R49-L53 WeakPolarHBondContact O-CB 3.48Å; R49-L53 VanDerWaalsContact O-CG 3.25Å; R49-L53 WeakPolarHBondContact O-CG 3.31Å; R49-L53 PolarHBondContact O-N 2.84Å; E50-L53 PolarHBondContact O-N 2.92Å; V51-L53 PolarHBondContact O-N 3.5Å; L53-K57 WeakPolarHBondContact O-CG 3.33Å; L53-K57 PolarHBondContact O-N 3.26Å
54A94.4Very high94.9Very high12 Ų1275.5 Ų75.510%0.09941%0.408CS..Hα-helixtrans-67.4-45175.700000111.4E50 V51 R56 K57 G58 L59 P61E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.36Å; E50-A54 PolarHBondContact O-N 3.5Å; V51-A54 PolarHBondContact O-N 3.02Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.91Å; A54-K57 CarbonylContact O-C 3.52Å; A54-K57 WeakPolarHBondContact O-CA 3.45Å; A54-K57 WeakPolarHBondContact O-CB 3.23Å; A54-K57 PolarHBondContact O-N 3.26Å; A54-G58 PolarHBondContact O-N 2.72Å; A54-L59 CarbonylContact C-O 3.3Å; A54-L59 VanDerWaalsContact C-O 3.3Å; A54-L59 HydrophobicContact CB-CB 4.39Å; A54-L59 PolarHBondContact O-N 3.18Å; A54-P61 HydrophobicContact CB-CG 3.69Å
55A95.1Very high94.9Very high64 Ų6481 Ų8153%0.52944%0.436SS..Hα-helixtrans-59.3-40.4176.800000111.8V51 K57 G58V51-A55 WeakPolarHBondContact O-CB 3.29Å; V51-A55 PolarHBondContact O-N 3.06Å; A55-K57 PolarHBondContact O-N 3.19Å; A55-G58 PolarHBondContact O-N 3.22Å
56R95.4Very high94.8Very high154 Ų15480.1 Ų80.158%0.58144%0.44SS*.Hα-helixtrans-60.5-27.6174.5-170177.6-63.31633.5113.2D41 M52 A54 G58D41-R56 IonicContact OD1-CZ 3.37Å; D41-R56 IonicContact OD1-NH1 2.69Å; D41-R56 PolarHBondContact OD1-NH1 3.46Å; D41-R56 IonicContact OD1-NH2 3.4Å; D41-R56 PolarHBondContact OD1-NH2 2.74Å; D41-R56 IonicContact OD2-NH2 2.78Å; D41-R56 PolarHBondContact OD2-NH2 3.01Å; M52-R56 PolarHBondContact O-N 3.43Å; M52-R56 VanDerWaalsContact O-N 3.16Å; A54-R56 VanDerWaalsContact C-N 3.3Å; A54-R56 PolarHBondContact O-N 2.91Å; R56-G58 VanDerWaalsContact C-N 3.34Å
57K94.9Very high94.8Very high161 Ų16184.2 Ų84.270%0.746%0.459SS*.THydrogen-bonded Turntrans-891.7175.1-64.2173.9-177175.90113L53 A54 A55 L59L53-K57 WeakPolarHBondContact O-CG 3.33Å; L53-K57 PolarHBondContact O-N 3.26Å; A54-K57 CarbonylContact O-C 3.52Å; A54-K57 WeakPolarHBondContact O-CA 3.45Å; A54-K57 WeakPolarHBondContact O-CB 3.23Å; A54-K57 PolarHBondContact O-N 3.26Å; A55-K57 PolarHBondContact O-N 3.19Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 HydrophobicContact CB-CD1 4.16Å; K57-L59 HydrophobicContact CB-CG 4.11Å; K57-L59 HydrophobicContact CD-CD1 4.5Å; K57-L59 PolarHBondContact O-N 3.44Å
58G93.7Very high94.3Very high70 Ų7089 Ų8972%0.72248%0.476SS*.THydrogen-bonded Turntrans69.222.3-174.200000113.7A54 A55 R56A54-G58 PolarHBondContact O-N 2.72Å; A55-G58 PolarHBondContact O-N 3.22Å; R56-G58 VanDerWaalsContact C-N 3.34Å
59L93.2Very high93.6Very high109 Ų10986.7 Ų86.757%0.57148%0.483SS*.  trans-104148.7178.4-59.7176.3000110.5A54 K57A54-L59 CarbonylContact C-O 3.3Å; A54-L59 VanDerWaalsContact C-O 3.3Å; A54-L59 HydrophobicContact CB-CB 4.39Å; A54-L59 PolarHBondContact O-N 3.18Å; K57-L59 VanDerWaalsContact C-N 3.26Å; K57-L59 HydrophobicContact CB-CD1 4.16Å; K57-L59 HydrophobicContact CB-CG 4.11Å; K57-L59 HydrophobicContact CD-CD1 4.5Å; K57-L59 PolarHBondContact O-N 3.44Å
60D94.5Very high93.4Very high55 Ų5584.9 Ų84.929%0.29448%0.483SS..  trans-130.170.7176.5-176.523.9000111.7Y62 N63 I64 L65D60-Y62 PolarHBondContact O-N 2.97Å; D60-N63 PolarHBondContact OD1-N 3.36Å; D60-N63 VanDerWaalsContact OD1-N 3.08Å; D60-N63 WeakPolarHBondContact OD2-CA 3.49Å; D60-I64 VanDerWaalsContact CG-N 3.32Å; D60-I64 PolarHBondContact OD1-N 3.16Å; D60-I64 PolarHBondContact OD2-N 2.88Å; D60-L65 PolarHBondContact OD2-N 2.97Å
61P93.8Very high93.3Very high28 Ų2885.2 Ų85.218%0.18249%0.493CS..THydrogen-bonded Turntrans-66.2-25.8179.425.4-31.7000112.7A54 N63 L127A54-P61 HydrophobicContact CB-CG 3.69Å; P61-N63 PolarHBondContact O-ND2 2.98Å; P61-L127 HydrophobicContact CB-CD2 3.49Å; P61-L127 VanDerWaalsContact CB-CD2 3.49Å; P61-L127 WeakPolarHBondContact O-CD2 3.46Å
62Y94.9Very high93.2Very high64 Ų6483.9 Ų83.925%0.25149%0.486SS..THydrogen-bonded Turntrans-99.911.5-173.9-66.3-67.6000113.9L47 E50 V51 D60 I64 L127L47-Y62 HydrophobicContact CD1-CD1 3.75Å; L47-Y62 HydrophobicContact CD1-CD2 3.72Å; L47-Y62 HydrophobicContact CD1-CE1 3.44Å; L47-Y62 VanDerWaalsContact CD1-CE1 3.44Å; L47-Y62 HydrophobicContact CD1-CE2 3.39Å; L47-Y62 HydrophobicContact CD1-CG 3.9Å; E50-Y62 HydrophobicContact CB-CE2 4.05Å; E50-Y62 PolarHBondContact OE2-OH 3.26Å; V51-Y62 HydrophobicContact CG2-CD2 3.47Å; V51-Y62 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y62 HydrophobicContact CG2-CE2 4.19Å; V51-Y62 HydrophobicContact CG2-CG 4.05Å; D60-Y62 PolarHBondContact O-N 2.97Å; Y62-I64 PolarHBondContact O-N 2.85Å; Y62-L127 HydrophobicContact CE1-CD1 4.48Å
63N94.8Very high93.3Very high85 Ų8584.5 Ų84.546%0.45549%0.493SS..  trans55.644.9173-54.1-101.5000113.3D60 P61 R87D60-N63 PolarHBondContact OD1-N 3.36Å; D60-N63 VanDerWaalsContact OD1-N 3.08Å; D60-N63 WeakPolarHBondContact OD2-CA 3.49Å; P61-N63 PolarHBondContact O-ND2 2.98Å; N63-R87 PolarHBondContact OD1-NH1 2.94Å; N63-R87 PolarHBondContact OD1-NH2 3.39Å
64I96.3Very high93.3Very high109 Ų10988.9 Ų88.956%0.55951%0.509SS*.  trans-76.5-33.6176.7-64174.6000110.9V51 D60 Y62V51-I64 HydrophobicContact CB-CD1 4.43Å; V51-I64 HydrophobicContact CG1-CD1 3.32Å; V51-I64 HydrophobicContact CG2-CD1 4.19Å; D60-I64 VanDerWaalsContact CG-N 3.32Å; D60-I64 PolarHBondContact OD1-N 3.16Å; D60-I64 PolarHBondContact OD2-N 2.88Å; Y62-I64 PolarHBondContact O-N 2.85Å
65L95.8Very high93.4Very high123 Ų12395.9 Ų95.964%0.64454%0.54SS*.SBendtrans-95149.3-177.8-57.7179.5000110.9D60D60-L65 PolarHBondContact OD2-N 2.97Å
66A94.4Very high93.5Very high91 Ų9196.3 Ų96.375%0.75253%0.533SS*.PPolyproline II helixtrans-63.2131.4168.600000109.5
67P93.1Very high93.6Very high126 Ų12689.7 Ų89.782%0.81851%0.51SS*.PPolyproline II helixtrans-64.4142.2178.126.5-33.3000110.3
68K85.2Confident93.7Very high199 Ų19983.1 Ų83.187%0.86548%0.483SS*.PPolyproline II helixtrans-73.4130.5173.9-64.8-176-179.7-178.50109.4
69G80.4Confident93.9Very high69 Ų6984.7 Ų84.771%0.71147%0.474SS*.PPolyproline II helixtrans-67.6148.1173.900000112.1
70T90.4Very high94.1Very high54 Ų5480.4 Ų80.433%0.33145%0.452SS..  trans-101.8-177.3166.262.70000109.4G72 D76 P77 N78T70-G72 PolarHBondContact O-N 3.05Å; T70-G72 PolarHBondContact OG1-N 2.9Å; T70-D76 PolarHBondContact OG1-O 3.26Å; T70-P77 VanDerWaalsContact OG1-C 3.29Å; T70-P77 PolarHBondContact OG1-O 2.69Å; T70-N78 PolarHBondContact N-OD1 3.08Å; T70-N78 VanDerWaalsContact OG1-CA 3.25Å; T70-N78 WeakPolarHBondContact OG1-CA 3.46Å; T70-N78 PolarHBondContact OG1-N 3.35Å; T70-N78 VanDerWaalsContact OG1-N 3.14Å; T70-N78 PolarHBondContact OG1-OD1 2.87Å
71S92.3Very high94.2Very high76 Ų7680.2 Ų80.253%0.53145%0.454SS..  trans-64-20.517466.80000113.3T73 D76S71-T73 PolarHBondContact O-N 2.92Å; S71-T73 PolarHBondContact OG-OG1 3.09Å; S71-T73 VanDerWaalsContact OG-OG1 3.04Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact N-OD2 3.41Å; S71-D76 WeakPolarHBondContact OG-CB 3.47Å; S71-D76 PolarHBondContact OG-O 3.42Å; S71-D76 PolarHBondContact OG-OD2 3.37Å
72G94.3Very high94.3Very high8 Ų879.3 Ų79.38%0.08245%0.449CS..  trans70.217.1-18000000113.9T70 D76 H119T70-G72 PolarHBondContact O-N 3.05Å; T70-G72 PolarHBondContact OG1-N 2.9Å; G72-D76 WeakPolarHBondContact CA-O 3.5Å; G72-D76 PolarHBondContact N-O 2.91Å; G72-D76 VanDerWaalsContact N-O 3.07Å; G72-H119 PolarHBondContact O-N 2.93Å; G72-H119 PolarHBondContact O-ND1 2.78Å; G72-H119 VanDerWaalsContact O-ND1 3.17Å
73T96.9Very high94.4Very high58 Ų5880.9 Ų80.936%0.35647%0.465SS..SBendtrans-78172.3174.960.40000110.7S71 E75 D76 P77 H119S71-T73 PolarHBondContact O-N 2.92Å; S71-T73 PolarHBondContact OG-OG1 3.09Å; S71-T73 VanDerWaalsContact OG-OG1 3.04Å; T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.45Å; T73-D76 PolarHBondContact N-O 3.49Å; T73-D76 VanDerWaalsContact N-O 3.14Å; T73-D76 CarbonylContact O-C 3.57Å; T73-D76 VanDerWaalsContact O-C 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.49Å; T73-D76 PolarHBondContact OG1-N 2.91Å; T73-P77 WeakPolarHBondContact O-CA 3.19Å; T73-H119 WeakPolarHBondContact O-CB 3.48Å
74K95.6Very high94.5Very high152 Ų15280.5 Ų80.566%0.66147%0.466SS*.SBendtrans-67.6-34.9179-176.7179.8-179.9-1780111.1
75E96.8Very high94.5Very high158 Ų15879.9 Ų79.974%0.73846%0.463SS*.SBendtrans-78.7-33.8-179.1-60.667.6-144.800111.6T73T73-E75 VanDerWaalsContact C-N 3.26Å; T73-E75 PolarHBondContact O-N 3.45Å
76D96.8Very high94.6Very high74 Ų7478.1 Ų78.140%0.39645%0.45SS..SBendtrans-12774.6177.5175.549.4000110.7T70 S71 G72 T73T70-D76 PolarHBondContact OG1-O 3.26Å; S71-D76 WeakPolarHBondContact CB-OD2 3.36Å; S71-D76 PolarHBondContact N-OD2 3.41Å; S71-D76 WeakPolarHBondContact OG-CB 3.47Å; S71-D76 PolarHBondContact OG-O 3.42Å; S71-D76 PolarHBondContact OG-OD2 3.37Å; G72-D76 WeakPolarHBondContact CA-O 3.5Å; G72-D76 PolarHBondContact N-O 2.91Å; G72-D76 VanDerWaalsContact N-O 3.07Å; T73-D76 PolarHBondContact N-O 3.49Å; T73-D76 VanDerWaalsContact N-O 3.14Å; T73-D76 CarbonylContact O-C 3.57Å; T73-D76 VanDerWaalsContact O-C 3.23Å; T73-D76 WeakPolarHBondContact OG1-CB 3.49Å; T73-D76 PolarHBondContact OG1-N 2.91Å
77P97.6Very high94.8Very high15 Ų1577.7 Ų77.710%0.09743%0.429CS..  trans-78.7156.7179.733.5-36.6000111.6T70 T73 L79 A110 H119 R121T70-P77 VanDerWaalsContact OG1-C 3.29Å; T70-P77 PolarHBondContact OG1-O 2.69Å; T73-P77 WeakPolarHBondContact O-CA 3.19Å; P77-L79 HydrophobicContact CG-CD2 4.42Å; P77-L79 PolarHBondContact O-N 3.18Å; P77-L79 VanDerWaalsContact O-N 3.12Å; P77-A110 HydrophobicContact CB-CB 4.37Å; P77-H119 HydrophobicContact CB-CB 3.75Å; P77-R121 HydrophobicContact CB-CB 4.27Å; P77-R121 HydrophobicContact CG-CB 4.04Å
78N97.7Very high95.1Very high23 Ų2375.9 Ų75.912%0.12341%0.412CS..EExtended strand (participates in β ladder)trans-66.9114.3172.6-65.4-72.7000110.1T70 H119 Y120 R121T70-N78 PolarHBondContact N-OD1 3.08Å; T70-N78 VanDerWaalsContact OG1-CA 3.25Å; T70-N78 WeakPolarHBondContact OG1-CA 3.46Å; T70-N78 PolarHBondContact OG1-N 3.35Å; T70-N78 VanDerWaalsContact OG1-N 3.14Å; T70-N78 PolarHBondContact OG1-OD1 2.87Å; N78-H119 PolarHBondContact N-O 3.41Å; N78-H119 PolarHBondContact ND2-O 2.87Å; N78-Y120 HydrophobicContact CB-CD1 3.44Å; N78-Y120 VanDerWaalsContact CB-CD1 3.44Å; N78-Y120 HydrophobicContact CB-CE1 3.63Å; N78-Y120 HydrophobicContact CB-CG 4.14Å; N78-Y120 CarbonylContact O-C 3.52Å; N78-Y120 VanDerWaalsContact O-CA 3.31Å; N78-Y120 WeakPolarHBondContact O-CA 3.34Å; N78-R121 PolarHBondContact O-N 3.03Å
79L97Very high95.7Very high103 Ų10366.9 Ų66.954%0.53937%0.374SS..EExtended strand (participates in β ladder)trans-77.9124.5178.1-56.2-176.7000109.8P77 P81 R121 V123P77-L79 HydrophobicContact CG-CD2 4.42Å; P77-L79 PolarHBondContact O-N 3.18Å; P77-L79 VanDerWaalsContact O-N 3.12Å; L79-P81 WeakPolarHBondContact O-CD 3.3Å; L79-R121 HydrophobicContact CD2-CB 4.23Å; L79-V123 HydrophobicContact CB-CG1 4.2Å; L79-V123 HydrophobicContact CB-CG2 4.32Å; L79-V123 HydrophobicContact CD2-CG1 3.92Å; L79-V123 HydrophobicContact CG-CG1 4.46Å
80V97.5Very high96.6Very high18 Ų1865.2 Ų65.211%0.10936%0.356CS..EExtended strand (participates in β ladder)trans-116.3101.1-176.7178.60000109R87 V89 L105 Y120 R121 L122 V123V80-R87 HydrophobicContact CG1-CB 4.25Å; V80-R87 HydrophobicContact CG1-CG 4.17Å; V80-V89 HydrophobicContact CG1-CG2 4.2Å; V80-V89 HydrophobicContact CG2-CG2 4.13Å; V80-L105 HydrophobicContact CB-CD2 3.5Å; V80-L105 HydrophobicContact CG1-CD2 3.92Å; V80-L105 HydrophobicContact CG2-CD2 3.61Å; V80-Y120 HydrophobicContact CG2-CD1 3.88Å; V80-R121 PolarHBondContact N-O 3.22Å; V80-L122 HydrophobicContact CB-CD1 4.48Å; V80-L122 HydrophobicContact CG1-CD1 4.22Å; V80-L122 WeakPolarHBondContact O-CA 3.47Å; V80-V123 PolarHBondContact O-N 3.47Å
81P96.4Very high96.9Very high51 Ų5162.8 Ų62.833%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-62.7135.9178.3-21.232.9000111.3L79 R87 V123 H125L79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-R87 WeakPolarHBondContact O-CD 3.3Å; P81-R87 PolarHBondContact O-NH1 2.98Å; P81-V123 CarbonylContact C-O 3.56Å; P81-V123 WeakPolarHBondContact CA-O 3Å; P81-V123 HydrophobicContact CB-CG2 4.26Å; P81-V123 HydrophobicContact CG-CG2 4.15Å; P81-H125 HydrophobicContact CB-CB 3.8Å
82S96.7Very high97.1Very high10 Ų1064 Ų647%0.0734%0.341CS..EExtended strand (participates in β ladder)trans-146.3137.8177-176.50000111.7T84 V123 H125S82-T84 VanDerWaalsContact C-N 3.26Å; S82-T84 WeakPolarHBondContact CB-O 3.06Å; S82-T84 PolarHBondContact OG-N 3.43Å; S82-T84 PolarHBondContact OG-O 2.89Å; S82-T84 PolarHBondContact OG-OG1 3.47Å; S82-V123 PolarHBondContact N-O 3.37Å; S82-H125 PolarHBondContact O-N 3.3Å
83V96.4Very high97.2Very high97 Ų9765 Ų6559%0.58835%0.346SS*.SBendtrans-80.2-10.5172.6-58.90000112.4H125 L127V83-H125 HydrophobicContact CG1-CB 4.44Å; V83-L127 HydrophobicContact CG1-CD1 3.81Å; V83-L127 HydrophobicContact CG1-CG 3.93Å
84T96.3Very high97.1Very high77 Ų7768.6 Ų68.647%0.47236%0.359SS..SBendtrans-125.5177.1177.469.70000111.2S82 K86S82-T84 VanDerWaalsContact C-N 3.26Å; S82-T84 WeakPolarHBondContact CB-O 3.06Å; S82-T84 PolarHBondContact OG-N 3.43Å; S82-T84 PolarHBondContact OG-O 2.89Å; S82-T84 PolarHBondContact OG-OG1 3.47Å; T84-K86 PolarHBondContact O-N 3.26Å; T84-K86 PolarHBondContact OG1-N 3.31Å; T84-K86 PolarHBondContact OG1-O 3.11Å
85N97.8Very high96.9Very high95 Ų9570.2 Ų70.251%0.50837%0.369SS..SBendtrans-76.33.317970.1-21.6000115.2H106 E107N85-H106 CarbonylContact O-C 3.42Å; N85-H106 WeakPolarHBondContact O-CA 3.42Å; N85-E107 HydrophobicContact CB-CB 4.18Å; N85-E107 PolarHBondContact O-N 3.05Å
86K97.9Very high96.9Very high87 Ų8769.8 Ų69.838%0.37837%0.372SS..EExtended strand (participates in β ladder)trans-156.9145.4172.362.2-178.3-178.9177.90113T84 W104 L105T84-K86 PolarHBondContact O-N 3.26Å; T84-K86 PolarHBondContact OG1-N 3.31Å; T84-K86 PolarHBondContact OG1-O 3.11Å; K86-W104 HydrophobicContact CB-CE3 4.12Å; K86-W104 HydrophobicContact CD-CD2 4.39Å; K86-W104 HydrophobicContact CD-CE3 3.81Å; K86-W104 HydrophobicContact CD-CZ3 4.05Å; K86-W104 HydrophobicContact CG-CE3 3.88Å; K86-W104 HydrophobicContact CG-CZ3 3.94Å; K86-L105 CarbonylContact C-O 3.57Å; K86-L105 WeakPolarHBondContact CA-O 3.5Å; K86-L105 VanDerWaalsContact CB-O 3.3Å; K86-L105 WeakPolarHBondContact CB-O 3.45Å
87R98.4Very high96.9Very high82 Ų8267.9 Ų67.931%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-136142.7176.7-176.4167.2174.2178.43.8110.5N63 V80 P81 L105 L122N63-R87 PolarHBondContact OD1-NH1 2.94Å; N63-R87 PolarHBondContact OD1-NH2 3.39Å; V80-R87 HydrophobicContact CG1-CB 4.25Å; V80-R87 HydrophobicContact CG1-CG 4.17Å; P81-R87 WeakPolarHBondContact O-CD 3.3Å; P81-R87 PolarHBondContact O-NH1 2.98Å; R87-L105 PolarHBondContact N-O 2.99Å; R87-L105 WeakPolarHBondContact O-CB 3.25Å; R87-L105 PolarHBondContact O-N 3.16Å; R87-L122 HydrophobicContact CB-CD1 3.83Å
88I98.6Very high96.8Very high88 Ų8874.3 Ų74.345%0.45140%0.401SS..EExtended strand (participates in β ladder)trans-71129.1172-62.9177000108.4W102 W104I88-W102 HydrophobicContact CG2-CE3 3.56Å; I88-W102 HydrophobicContact CG2-CZ3 3.96Å; I88-W104 HydrophobicContact CD1-CH2 3.78Å; I88-W104 HydrophobicContact CD1-CZ2 3.78Å; I88-W104 HydrophobicContact CD1-CZ3 4.32Å; I88-W104 HydrophobicContact CG1-CD2 3.95Å; I88-W104 HydrophobicContact CG1-CE3 3.76Å; I88-W104 HydrophobicContact CG1-CH2 3.55Å; I88-W104 HydrophobicContact CG1-CZ2 3.73Å; I88-W104 HydrophobicContact CG1-CZ3 3.56Å
89V98.4Very high96.8Very high10 Ų1075.9 Ų75.96%0.06141%0.413CS..EExtended strand (participates in β ladder)trans-111.5132.8173.8174.60000108.9V80 W102 F103 L105 Y120V80-V89 HydrophobicContact CG1-CG2 4.2Å; V80-V89 HydrophobicContact CG2-CG2 4.13Å; V89-W102 WeakPolarHBondContact O-CA 3.23Å; V89-F103 HydrophobicContact CB-CE1 4.12Å; V89-F103 HydrophobicContact CB-CE2 4.04Å; V89-F103 HydrophobicContact CB-CZ 3.83Å; V89-F103 HydrophobicContact CG1-CE1 3.85Å; V89-F103 HydrophobicContact CG1-CE2 4.29Å; V89-F103 HydrophobicContact CG1-CZ 3.6Å; V89-F103 PolarHBondContact N-O 3.42Å; V89-F103 PolarHBondContact O-N 3.16Å; V89-F103 VanDerWaalsContact O-N 3.09Å; V89-L105 HydrophobicContact CG2-CB 3.65Å; V89-L105 HydrophobicContact CG2-CD2 3.89Å; V89-L105 HydrophobicContact CG2-CG 4.41Å; V89-Y120 HydrophobicContact CG1-CD1 3.78Å; V89-Y120 HydrophobicContact CG1-CE1 3.66Å; V89-Y120 HydrophobicContact CG1-CG 4.28Å
90G98.2Very high96.8Very high34 Ų3473.7 Ų73.735%0.35140%0.404SS..EExtended strand (participates in β ladder)trans-106.2118.4166.600000109.6I101 W102G90-I101 WeakPolarHBondContact CA-O 3.39Å; G90-W102 VanDerWaalsContact CA-CE3 3.46Å
91C97.8Very high96.9Very high2 Ų274.6 Ų74.61%0.01441%0.408CS..EExtended strand (participates in β ladder)trans-103.6120.1177.2-178.80000109.9I101 F103 C113 Y120C91-I101 HydrophobicContact CB-CB 4.39Å; C91-I101 PolarHBondContact N-O 3.17Å; C91-I101 PolarHBondContact O-N 2.54Å; C91-F103 HydrophobicContact CB-CE1 4.21Å; C91-C113 HydrophobicContact CB-CB 4.23Å; C91-Y120 PolarHBondContact SG-OH 3.14Å
92I96.9Very high97Very high102 Ų10280.2 Ų80.252%0.52342%0.423SS..  trans-93.4104.2164.9-61.7170.6000105.6E94 N97 V100I92-E94 VanDerWaalsContact C-N 3.31Å; I92-E94 WeakPolarHBondContact CG2-O 3.22Å; I92-E94 PolarHBondContact O-N 3.27Å; I92-N97 HydrophobicContact CG2-CB 4.22Å; I92-V100 HydrophobicContact CG1-CG2 4.08Å
93C95.7Very high97.1Very high29 Ų2981.2 Ų81.220%0.19643%0.426CS..  trans-69.4-28.1-166.7-65.30000114.3C116C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 VanDerWaalsContact SG-SG 3.64Å
94E94Very high97.2Very high134 Ų13482.7 Ų82.763%0.62642%0.421SS*.SBendtrans-146.3151.1-179.9-52.8168.7166.400106I92 D96 N97I92-E94 VanDerWaalsContact C-N 3.31Å; I92-E94 WeakPolarHBondContact CG2-O 3.22Å; I92-E94 PolarHBondContact O-N 3.27Å; E94-D96 VanDerWaalsContact C-N 3.29Å; E94-D96 PolarHBondContact O-N 3Å; E94-N97 WeakPolarHBondContact CB-ND2 3.37Å; E94-N97 WeakPolarHBondContact CG-ND2 3.37Å; E94-N97 PolarHBondContact N-ND2 2.88Å; E94-N97 WeakPolarHBondContact O-CB 3.43Å; E94-N97 PolarHBondContact O-N 2.97Å
95E92.7Very high97.3Very high185 Ų18579 Ų7986%0.86440%0.399SS*.THydrogen-bonded Turntrans-51.9-43.5-169.4-171.4171.517900113.7N97E95-N97 PolarHBondContact O-N 3.14Å
96D95.5Very high97.4Very high150 Ų15078.5 Ų78.580%0.80239%0.393SS*.THydrogen-bonded Turntrans-91.98.6-176.1-63.5-38.6000114.1E94 T98E94-D96 VanDerWaalsContact C-N 3.29Å; E94-D96 PolarHBondContact O-N 3Å; D96-T98 PolarHBondContact O-N 3.44Å
97N96.6Very high97.4Very high33 Ų3380.5 Ų80.518%0.17640%0.403CS..  trans-64.7125.9178.5-92.6-61.9000111.1I92 E94 E95 S99 R115I92-N97 HydrophobicContact CG2-CB 4.22Å; E94-N97 WeakPolarHBondContact CB-ND2 3.37Å; E94-N97 WeakPolarHBondContact CG-ND2 3.37Å; E94-N97 PolarHBondContact N-ND2 2.88Å; E94-N97 WeakPolarHBondContact O-CB 3.43Å; E94-N97 PolarHBondContact O-N 2.97Å; E95-N97 PolarHBondContact O-N 3.14Å; N97-S99 VanDerWaalsContact C-N 3.3Å; N97-S99 PolarHBondContact O-N 3.32Å; N97-R115 PolarHBondContact OD1-NH1 2.85Å; N97-R115 PolarHBondContact OD1-NH2 2.96Å; N97-R115 VanDerWaalsContact OD1-NH2 3.14Å
98T96.8Very high97.3Very high150 Ų15078.5 Ų78.592%0.9241%0.409SS*.SBendtrans-82.9-8176.557.50000113.5D96D96-T98 PolarHBondContact O-N 3.44Å
99S97Very high97.2Very high56 Ų5682.7 Ų82.739%0.39243%0.427SS..SBendtrans-116.8132.5-179.356.10000111.4N97N97-S99 VanDerWaalsContact C-N 3.3Å; N97-S99 PolarHBondContact O-N 3.32Å
100V98.3Very high97.1Very high57 Ų5784 Ų8435%0.34544%0.439SS..  trans-96.4131.3175.2-175.60000109.2I92 W102I92-V100 HydrophobicContact CG1-CG2 4.08Å; V100-W102 HydrophobicContact CB-CZ2 4.09Å; V100-W102 HydrophobicContact CG1-CD2 3.96Å; V100-W102 VanDerWaalsContact CG1-CE2 3.48Å; V100-W102 HydrophobicContact CG1-CE3 4.48Å; V100-W102 HydrophobicContact CG1-CG 4.45Å; V100-W102 HydrophobicContact CG1-CH2 4.21Å; V100-W102 HydrophobicContact CG1-CZ2 3.63Å
101I98.4Very high97.2Very high37 Ų3785.5 Ų85.519%0.1944%0.436CS..EExtended strand (participates in β ladder)trans-91.6115.2175.7-53.4-55.9000109G90 C91 P114 R115G90-I101 WeakPolarHBondContact CA-O 3.39Å; C91-I101 HydrophobicContact CB-CB 4.39Å; C91-I101 PolarHBondContact N-O 3.17Å; C91-I101 PolarHBondContact O-N 2.54Å; I101-P114 HydrophobicContact CG2-CG 3.61Å; I101-R115 HydrophobicContact CD1-CB 4.33Å; I101-R115 HydrophobicContact CG1-CB 3.93Å; I101-R115 HydrophobicContact CG1-CG 4.5Å; I101-R115 HydrophobicContact CG2-CB 4.45Å
102W98.7Very high97.2Very high169 Ų16992.7 Ų92.764%0.6446%0.463SS*.EExtended strand (participates in β ladder)trans-102.3135-176.1-62.8100.6000112I88 V89 G90 V100I88-W102 HydrophobicContact CG2-CE3 3.56Å; I88-W102 HydrophobicContact CG2-CZ3 3.96Å; V89-W102 WeakPolarHBondContact O-CA 3.23Å; G90-W102 VanDerWaalsContact CA-CE3 3.46Å; V100-W102 HydrophobicContact CB-CZ2 4.09Å; V100-W102 HydrophobicContact CG1-CD2 3.96Å; V100-W102 VanDerWaalsContact CG1-CE2 3.48Å; V100-W102 HydrophobicContact CG1-CE3 4.48Å; V100-W102 HydrophobicContact CG1-CG 4.45Å; V100-W102 HydrophobicContact CG1-CH2 4.21Å; V100-W102 HydrophobicContact CG1-CZ2 3.63Å
103F98.7Very high97.3Very high31 Ų3188 Ų8814%0.13644%0.439CS..EExtended strand (participates in β ladder)trans-154.9159.8173.459.3-81.7000111.7V89 C91 C113 Y120V89-F103 HydrophobicContact CB-CE1 4.12Å; V89-F103 HydrophobicContact CB-CE2 4.04Å; V89-F103 HydrophobicContact CB-CZ 3.83Å; V89-F103 HydrophobicContact CG1-CE1 3.85Å; V89-F103 HydrophobicContact CG1-CE2 4.29Å; V89-F103 HydrophobicContact CG1-CZ 3.6Å; V89-F103 PolarHBondContact N-O 3.42Å; V89-F103 PolarHBondContact O-N 3.16Å; V89-F103 VanDerWaalsContact O-N 3.09Å; C91-F103 HydrophobicContact CB-CE1 4.21Å; F103-C113 HydrophobicContact CE1-CB 4.1Å; F103-C113 HydrophobicContact CZ-CB 4.4Å; F103-Y120 HydrophobicContact CE2-CD2 4.45Å; F103-Y120 AromaticContact CZ-CD2 3.71Å; F103-Y120 HydrophobicContact CZ-CD2 3.71Å; F103-Y120 AromaticContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CG 4.21Å
104W98.6Very high97.4Very high129 Ų12991.4 Ų91.449%0.48946%0.461SS..EExtended strand (participates in β ladder)trans-81.4122.3170.3-73.7100.7000110.1K86 I88K86-W104 HydrophobicContact CB-CE3 4.12Å; K86-W104 HydrophobicContact CD-CD2 4.39Å; K86-W104 HydrophobicContact CD-CE3 3.81Å; K86-W104 HydrophobicContact CD-CZ3 4.05Å; K86-W104 HydrophobicContact CG-CE3 3.88Å; K86-W104 HydrophobicContact CG-CZ3 3.94Å; I88-W104 HydrophobicContact CD1-CH2 3.78Å; I88-W104 HydrophobicContact CD1-CZ2 3.78Å; I88-W104 HydrophobicContact CD1-CZ3 4.32Å; I88-W104 HydrophobicContact CG1-CD2 3.95Å; I88-W104 HydrophobicContact CG1-CE3 3.76Å; I88-W104 HydrophobicContact CG1-CH2 3.55Å; I88-W104 HydrophobicContact CG1-CZ2 3.73Å; I88-W104 HydrophobicContact CG1-CZ3 3.56Å
105L98.7Very high97.6Very high0 Ų091 Ų910%045%0.454CS..EExtended strand (participates in β ladder)trans-93.9124.4166.2-178.969.8000108.3V80 K86 R87 V89 Q111 Y120 L122V80-L105 HydrophobicContact CB-CD2 3.5Å; V80-L105 HydrophobicContact CG1-CD2 3.92Å; V80-L105 HydrophobicContact CG2-CD2 3.61Å; K86-L105 CarbonylContact C-O 3.57Å; K86-L105 WeakPolarHBondContact CA-O 3.5Å; K86-L105 VanDerWaalsContact CB-O 3.3Å; K86-L105 WeakPolarHBondContact CB-O 3.45Å; R87-L105 PolarHBondContact N-O 2.99Å; R87-L105 WeakPolarHBondContact O-CB 3.25Å; R87-L105 PolarHBondContact O-N 3.16Å; V89-L105 HydrophobicContact CG2-CB 3.65Å; V89-L105 HydrophobicContact CG2-CD2 3.89Å; V89-L105 HydrophobicContact CG2-CG 4.41Å; L105-Q111 HydrophobicContact CD1-CB 3.81Å; L105-Q111 HydrophobicContact CD1-CG 4.2Å; L105-Y120 WeakPolarHBondContact CD1-O 3.26Å; L105-L122 HydrophobicContact CB-CD1 4.42Å; L105-L122 HydrophobicContact CD2-CB 4.13Å; L105-L122 HydrophobicContact CD2-CD1 3.78Å; L105-L122 HydrophobicContact CG-CB 4.18Å; L105-L122 HydrophobicContact CG-CD1 4Å
106H98.6Very high97.8Very high84 Ų8485.1 Ų85.139%0.38943%0.433SS..EExtended strand (participates in β ladder)trans-102.2158.9179.6-67.1-96.6000110.7N85 Q111N85-H106 CarbonylContact O-C 3.42Å; N85-H106 WeakPolarHBondContact O-CA 3.42Å; H106-Q111 PolarHBondContact O-OE1 3.1Å
107E97.9Very high97.9Very high128 Ų12878.6 Ų78.660%0.59840%0.4SS*.SBendtrans-63141.6170.6-173.9175.3-167.500111N85 L122N85-E107 HydrophobicContact CB-CB 4.18Å; N85-E107 PolarHBondContact O-N 3.05Å; E107-L122 HydrophobicContact CB-CD2 3.92Å
108G96.6Very high98Very high41 Ų4178.2 Ų78.242%0.42340%0.402SS..SBendtrans128.3-136.4177.400000112.9
109E96.8Very high98Very high176 Ų17672.6 Ų72.682%0.82237%0.365SS*.SBendtrans-66.8157.3178.3-63.4-168.3165.800112.1Q111E109-Q111 PolarHBondContact O-N 2.93Å
110A97.6Very high98.1Very high38 Ų3871.2 Ų71.231%0.31435%0.352SS..PPolyproline II helixtrans-63.7129.817700000110.5P77 H119 Y120 R121P77-A110 HydrophobicContact CB-CB 4.37Å; A110-H119 HydrophobicContact CB-CB 4.49Å; A110-Y120 CarbonylContact C-O 3.23Å; A110-Y120 VanDerWaalsContact CA-O 3.22Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; A110-R121 HydrophobicContact CB-CB 4.3Å
111Q98.6Very high98.1Very high64 Ų6474.9 Ų74.930%0.29936%0.359SS..EExtended strand (participates in β ladder)trans-101.7163.2175.3-64.9173.9-104.300110.3L105 H106 E109 H119 Y120L105-Q111 HydrophobicContact CD1-CB 3.81Å; L105-Q111 HydrophobicContact CD1-CG 4.2Å; H106-Q111 PolarHBondContact O-OE1 3.1Å; E109-Q111 PolarHBondContact O-N 2.93Å; Q111-H119 CarbonylContact O-C 3.58Å; Q111-H119 WeakPolarHBondContact O-CA 3.44Å; Q111-Y120 PolarHBondContact N-O 3.44Å; Q111-Y120 PolarHBondContact O-N 3.35Å
112R98.6Very high98.1Very high153 Ų15373.8 Ų73.858%0.57735%0.354SS*.EExtended strand (participates in β ladder)trans-114.8144.4-174.8-63.6176.168.6-160.91.6111.4G117 A118R112-G117 PolarHBondContact NE-O 2.87Å; R112-A118 CarbonylContact C-O 3.49Å; R112-A118 VanDerWaalsContact CA-O 3.29Å; R112-A118 WeakPolarHBondContact CA-O 3.31Å
113C98.4Very high98Very high3 Ų367.6 Ų67.62%0.0233%0.334CS..  trans-57.7130.9166.5172.50000109.5C91 F103 R115 G117 A118 Y120C91-C113 HydrophobicContact CB-CB 4.23Å; F103-C113 HydrophobicContact CE1-CB 4.1Å; F103-C113 HydrophobicContact CZ-CB 4.4Å; C113-R115 PolarHBondContact O-N 2.93Å; C113-R115 VanDerWaalsContact O-N 3.13Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.49Å; C113-G117 PolarHBondContact O-N 2.88Å; C113-A118 PolarHBondContact N-O 2.86Å; C113-Y120 HydrophobicContact CB-CE2 4.13Å
114P98.4Very high97.9Very high101 Ų10171.2 Ų71.266%0.65636%0.361SS*.THydrogen-bonded Turntrans-69.3-10.2-176.127.5-34.6000113.9I101I101-P114 HydrophobicContact CG2-CG 3.61Å
115R97.9Very high97.6Very high126 Ų12667.8 Ų67.848%0.47535%0.35SS..THydrogen-bonded Turntrans-101.2-65.2177.5-175.7174.9175.7-151.9-6.3112.8N97 I101 C113N97-R115 PolarHBondContact OD1-NH1 2.85Å; N97-R115 PolarHBondContact OD1-NH2 2.96Å; N97-R115 VanDerWaalsContact OD1-NH2 3.14Å; I101-R115 HydrophobicContact CD1-CB 4.33Å; I101-R115 HydrophobicContact CG1-CB 3.93Å; I101-R115 HydrophobicContact CG1-CG 4.5Å; I101-R115 HydrophobicContact CG2-CB 4.45Å; C113-R115 PolarHBondContact O-N 2.93Å; C113-R115 VanDerWaalsContact O-N 3.13Å
116C97.3Very high97Very high62 Ų6278.9 Ų78.942%0.41939%0.392SS..THydrogen-bonded Turntrans-92-11.9-174.866.80000114.4C93 A118C93-C116 HydrophobicContact CB-CB 3.84Å; C93-C116 VanDerWaalsContact SG-SG 3.64Å; C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 2.97Å
117G97.9Very high96.3Very high12 Ų1277.2 Ų77.212%0.12439%0.386CS..  trans76.26.9178.800000115.9R112 C113R112-G117 PolarHBondContact NE-O 2.87Å; C113-G117 VanDerWaalsContact O-CA 3.29Å; C113-G117 WeakPolarHBondContact O-CA 3.49Å; C113-G117 PolarHBondContact O-N 2.88Å
118A97.7Very high94.9Very high26 Ų2675.6 Ų75.622%0.21540%0.395CS..  trans-57.9140.1173.300000111.3R112 C113 C116 Y120R112-A118 CarbonylContact C-O 3.49Å; R112-A118 VanDerWaalsContact CA-O 3.29Å; R112-A118 WeakPolarHBondContact CA-O 3.31Å; C113-A118 PolarHBondContact N-O 2.86Å; C116-A118 VanDerWaalsContact C-N 3.28Å; C116-A118 PolarHBondContact O-N 2.97Å; A118-Y120 HydrophobicContact CB-CE2 4.07Å; A118-Y120 WeakPolarHBondContact O-CD2 3.32Å
119H98.4Very high93.1Very high32 Ų3283.3 Ų83.315%0.14842%0.419CS..EExtended strand (participates in β ladder)trans-87.8142.5-176.4-63.875000111.8G72 T73 P77 N78 A110 Q111G72-H119 PolarHBondContact O-N 2.93Å; G72-H119 PolarHBondContact O-ND1 2.78Å; G72-H119 VanDerWaalsContact O-ND1 3.17Å; T73-H119 WeakPolarHBondContact O-CB 3.48Å; P77-H119 HydrophobicContact CB-CB 3.75Å; N78-H119 PolarHBondContact N-O 3.41Å; N78-H119 PolarHBondContact ND2-O 2.87Å; A110-H119 HydrophobicContact CB-CB 4.49Å; Q111-H119 CarbonylContact O-C 3.58Å; Q111-H119 WeakPolarHBondContact O-CA 3.44Å
120Y98.5Very high92.9Very high27 Ų2778.7 Ų78.711%0.10640%0.399CS..EExtended strand (participates in β ladder)trans-134.4137.6176.3-66-95.4000109.1N78 V80 V89 C91 F103 L105 A110 Q111 C113 A118N78-Y120 HydrophobicContact CB-CD1 3.44Å; N78-Y120 VanDerWaalsContact CB-CD1 3.44Å; N78-Y120 HydrophobicContact CB-CE1 3.63Å; N78-Y120 HydrophobicContact CB-CG 4.14Å; N78-Y120 CarbonylContact O-C 3.52Å; N78-Y120 VanDerWaalsContact O-CA 3.31Å; N78-Y120 WeakPolarHBondContact O-CA 3.34Å; V80-Y120 HydrophobicContact CG2-CD1 3.88Å; V89-Y120 HydrophobicContact CG1-CD1 3.78Å; V89-Y120 HydrophobicContact CG1-CE1 3.66Å; V89-Y120 HydrophobicContact CG1-CG 4.28Å; C91-Y120 PolarHBondContact SG-OH 3.14Å; F103-Y120 HydrophobicContact CE2-CD2 4.45Å; F103-Y120 AromaticContact CZ-CD2 3.71Å; F103-Y120 HydrophobicContact CZ-CD2 3.71Å; F103-Y120 AromaticContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CE2 3.97Å; F103-Y120 HydrophobicContact CZ-CG 4.21Å; L105-Y120 WeakPolarHBondContact CD1-O 3.26Å; A110-Y120 CarbonylContact C-O 3.23Å; A110-Y120 VanDerWaalsContact CA-O 3.22Å; A110-Y120 WeakPolarHBondContact CA-O 3.41Å; Q111-Y120 PolarHBondContact N-O 3.44Å; Q111-Y120 PolarHBondContact O-N 3.35Å; C113-Y120 HydrophobicContact CB-CE2 4.13Å; A118-Y120 HydrophobicContact CB-CE2 4.07Å; A118-Y120 WeakPolarHBondContact O-CD2 3.32Å
121R98.1Very high92.7Very high133 Ų13380.8 Ų80.850%0.50240%0.404SS..EExtended strand (participates in β ladder)trans-127.8126.1177.1-175.7174.5-176.5172.20.5109.9P77 N78 L79 V80 A110 V123P77-R121 HydrophobicContact CB-CB 4.27Å; P77-R121 HydrophobicContact CG-CB 4.04Å; N78-R121 PolarHBondContact O-N 3.03Å; L79-R121 HydrophobicContact CD2-CB 4.23Å; V80-R121 PolarHBondContact N-O 3.22Å; A110-R121 HydrophobicContact CB-CB 4.3Å; R121-V123 PolarHBondContact O-N 2.78Å
122L98.2Very high92.3Very high14 Ų1481.8 Ų81.87%0.07341%0.409CS..EExtended strand (participates in β ladder)trans-70.8130.4174.7-155.679.9000109.1V80 R87 L105 E107V80-L122 HydrophobicContact CB-CD1 4.48Å; V80-L122 HydrophobicContact CG1-CD1 4.22Å; V80-L122 WeakPolarHBondContact O-CA 3.47Å; R87-L122 HydrophobicContact CB-CD1 3.83Å; L105-L122 HydrophobicContact CB-CD1 4.42Å; L105-L122 HydrophobicContact CD2-CB 4.13Å; L105-L122 HydrophobicContact CD2-CD1 3.78Å; L105-L122 HydrophobicContact CG-CB 4.18Å; L105-L122 HydrophobicContact CG-CD1 4Å; E107-L122 HydrophobicContact CB-CD2 3.92Å
123V97Very high92Very high39 Ų3977.6 Ų77.624%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-119.2136.7173.8-61.90000110.2L79 V80 P81 S82 R121 H125L79-V123 HydrophobicContact CB-CG1 4.2Å; L79-V123 HydrophobicContact CB-CG2 4.32Å; L79-V123 HydrophobicContact CD2-CG1 3.92Å; L79-V123 HydrophobicContact CG-CG1 4.46Å; V80-V123 PolarHBondContact O-N 3.47Å; P81-V123 CarbonylContact C-O 3.56Å; P81-V123 WeakPolarHBondContact CA-O 3Å; P81-V123 HydrophobicContact CB-CG2 4.26Å; P81-V123 HydrophobicContact CG-CG2 4.15Å; S82-V123 PolarHBondContact N-O 3.37Å; R121-V123 PolarHBondContact O-N 2.78Å; V123-H125 PolarHBondContact O-N 3.09Å
124P95.8Very high91.6Very high108 Ų10882.3 Ų82.370%0.70142%0.423SS*.EExtended strand (participates in β ladder)trans-59.9129.4176.9-24.233.7000111.4
125H93.3Very high91.1Very high56 Ų5681 Ų8126%0.25941%0.408SS..  trans-114.5123.8172.8-172.357.7000109.2P81 S82 V83 V123 L127P81-H125 HydrophobicContact CB-CB 3.8Å; S82-H125 PolarHBondContact O-N 3.3Å; V83-H125 HydrophobicContact CG1-CB 4.44Å; V123-H125 PolarHBondContact O-N 3.09Å; H125-L127 WeakPolarHBondContact NE2-CD2 3.35Å
126R85.4Confident90.6Very high234 Ų23477.8 Ų77.888%0.88340%0.403SS*.  trans-103.7113.8174.2-65.9-173.3-177.5179.81.5108.6
127L83.1Confident90.1Very high49 Ų4979 Ų7926%0.25740%0.402SS..  trans-79.8124.4165.7-66.8173.5000107.8P61 Y62 V83 H125 H129P61-L127 HydrophobicContact CB-CD2 3.49Å; P61-L127 VanDerWaalsContact CB-CD2 3.49Å; P61-L127 WeakPolarHBondContact O-CD2 3.46Å; Y62-L127 HydrophobicContact CE1-CD1 4.48Å; V83-L127 HydrophobicContact CG1-CD1 3.81Å; V83-L127 HydrophobicContact CG1-CG 3.93Å; H125-L127 WeakPolarHBondContact NE2-CD2 3.35Å; L127-H129 PolarHBondContact O-N 3.06Å
128A68.8Low89.5Confident94 Ų9484.6 Ų84.678%0.77743%0.425SS*.  trans-82.4109.8169.200000107
129H59.4Low88.7Confident203 Ų20389.9 Ų89.994%0.9444%0.444SS*.  trans-94.50164-53.6-59.4000108.4L127L127-H129 PolarHBondContact O-N 3.06Å

Retrieved 129 of 129 residues in 309.8 ms (Link to these results)