G4VQL3_SCHMA Loading...

LITAF domain-containing protein

AlphaFold DB , UniProt , Accession G4VQL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.4Low64.1Low239 Ų239140 Ų140100%1.17778%0.777SS**  099.50-93.891.6-179.800108.1
2D57.8Low63.5Low168 Ų168140.4 Ų140.490%0.89879%0.786SS**PPolyproline II helixtrans-73.8123.8171.6-67.8-73.6000109.6
3K68.5Low63.1Low190 Ų190133.8 Ų133.883%0.82676%0.761SS**PPolyproline II helixtrans-69.9136.5178.2-177.9-168.9171.8-1710109.4
4P72.9Confident62.3Low101 Ų101133.2 Ų133.266%0.65676%0.764SS**PPolyproline II helixtrans-64.3148.5174.925.6-32.9000111.9
5P67.7Low61.4Low114 Ų114136.7 Ų136.774%0.7476%0.762SS**PPolyproline II helixtrans-65.5151.1178.227.6-33.8000111.5
6P71.1Confident61Low113 Ų113134.9 Ų134.973%0.73476%0.758SS**PPolyproline II helixtrans-66.8154-17827.3-33.7000112.2Y8P6-Y8 PolarHBondContact O-N 3.3Å
7P66Low60.6Low124 Ų124136.2 Ų136.281%0.80576%0.761SS**PPolyproline II helixtrans-59.7131.6174.4-17.829.7000110.9S9P7-S9 PolarHBondContact O-N 2.99Å
8Y58.8Low60.2Low206 Ų206138.2 Ų138.281%0.80876%0.763SS**  trans-75114.6176.8-166.6-89000109.9P6P6-Y8 PolarHBondContact O-N 3.3Å
9S66.3Low59.9Low98 Ų98138.2 Ų138.269%0.68576%0.762SS**PPolyproline II helixtrans-88.6128.6166.929.60000109.8P7P7-S9 PolarHBondContact O-N 2.99Å
10P63.5Low59.7Low97 Ų97136.2 Ų136.263%0.6376%0.756SS**PPolyproline II helixtrans-66.2150175.927.6-33.1000110.7T12P10-T12 PolarHBondContact O-N 3.37Å
11P59.3Low59.3Low90 Ų90134.6 Ų134.658%0.58475%0.753SS**PPolyproline II helixtrans-66.9118.2178.8-12.226.6000110.2A13P11-A13 PolarHBondContact O-N 2.92Å
12T56.7Low59.4Low145 Ų145129.1 Ų129.189%0.8974%0.735SS**  trans-75.160.4168.1-34.40000109.5P10P10-T12 PolarHBondContact O-N 3.37Å
13A57.7Low59.2Low55 Ų55130 Ų13046%0.45573%0.727SS.*  trans-89.9130.1168.400000108P11 Y15P11-A13 PolarHBondContact O-N 2.92Å; A13-Y15 WeakPolarHBondContact O-CE1 3.15Å; A13-Y15 PolarHBondContact O-N 3.1Å
14P52.5Low59Low125 Ų125126.9 Ų126.981%0.81273%0.727SS**  trans-64.4107172.4-9.423.6000107.7
15Y49.5Very low57.9Low185 Ų185127.7 Ų127.773%0.72574%0.735SS**  trans-64.6137168-21.3-76.9000107A13 I17A13-Y15 WeakPolarHBondContact O-CE1 3.15Å; A13-Y15 PolarHBondContact O-N 3.1Å; Y15-I17 PolarHBondContact O-N 3.09Å; Y15-I17 VanDerWaalsContact O-N 3.11Å
16P53.7Low57.1Low109 Ų109131.8 Ų131.871%0.70874%0.737SS**  trans-55.8123.716623.5-29.9000107.4Q18P16-Q18 VanDerWaalsContact C-N 3.34Å; P16-Q18 PolarHBondContact O-N 2.99Å
17I55.1Low56.4Low157 Ų157132.4 Ų132.481%0.80574%0.741SS**  trans-55.6103.5169.1-61.7-72.9000105.4Y15Y15-I17 PolarHBondContact O-N 3.09Å; Y15-I17 VanDerWaalsContact O-N 3.11Å
18Q52.6Low55.4Low171 Ų171133.8 Ų133.880%0.79974%0.736SS**  trans-81.1121.6169.6-79.6-179.1-31.700107P16P16-Q18 VanDerWaalsContact C-N 3.34Å; P16-Q18 PolarHBondContact O-N 2.99Å
19D54.2Low55Low138 Ų138133 Ų13374%0.73874%0.742SS**  trans-44.8137.8178.1-69.5-61.2000111.9C21D19-C21 PolarHBondContact O-N 2.96Å; D19-C21 VanDerWaalsContact O-N 3.1Å
20P57.3Low54.5Low98 Ų98133.6 Ų133.664%0.63674%0.738SS**  trans-63.9115179.5-16.128.9000110.5
21C50.1Low53.7Low103 Ų103136.7 Ų136.770%0.69674%0.744SS**PPolyproline II helixtrans-62.9142165.2-41.30000109D19 Y23D19-C21 PolarHBondContact O-N 2.96Å; D19-C21 VanDerWaalsContact O-N 3.1Å; C21-Y23 PolarHBondContact O-N 2.85Å
22P55.5Low53.3Low125 Ų125137.9 Ų137.981%0.81275%0.752SS**PPolyproline II helixtrans-67.7120.9-176.4-7.622.1000110.4
23Y54.1Low52.5Low186 Ų186134.4 Ų134.473%0.72974%0.744SS**PPolyproline II helixtrans-70.8139170.5-2.9-86.8000109.5C21 S25C21-Y23 PolarHBondContact O-N 2.85Å; Y23-S25 PolarHBondContact O-N 3Å
24P64.1Low52.1Low125 Ų125139 Ų13981%0.81276%0.762SS**PPolyproline II helixtrans-64.9117.8168.125.2-30.3000109.5Y26P24-Y26 PolarHBondContact O-N 2.87Å
25S50Low51.7Low118 Ų118139.9 Ų139.983%0.82576%0.758SS**  trans-69.3113.8172.843.90000109.8Y23Y23-S25 PolarHBondContact O-N 3Å
26Y51.3Low51.1Low199 Ų199139.2 Ų139.278%0.7876%0.762SS**  trans-72.9144.916455-87000108.9P24 Q28P24-Y26 PolarHBondContact O-N 2.87Å; Y26-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 VanDerWaalsContact O-N 3.08Å
27P56.4Low50.8Low126 Ų126143.9 Ų143.982%0.81877%0.771SS**  trans-63114.2-178.323-31.3000110.6M29P27-M29 PolarHBondContact O-N 2.8Å; P27-M29 VanDerWaalsContact O-N 3.14Å
28Q45.5Very low50.3Low153 Ų153146.3 Ų146.372%0.71578%0.776SS**  trans-72.299.2169.2-168.6-122.7-84.800107.7Y26Y26-Q28 PolarHBondContact O-N 3.14Å; Y26-Q28 VanDerWaalsContact O-N 3.08Å
29M50.5Low50.2Low189 Ų189141.6 Ų141.693%0.93177%0.773SS**  trans-66.8140.9170.4-164.4168.6178.300109.4P27P27-M29 PolarHBondContact O-N 2.8Å; P27-M29 VanDerWaalsContact O-N 3.14Å
30N55Low49.8Very low111 Ų111140.9 Ų140.959%0.59478%0.779SS**  trans-98.3125-155.7-176.532.3000111.4
31Q47.3Very low49.3Very low163 Ų163139.2 Ų139.276%0.76278%0.78SS**  trans49.3179.4140.5-77.1-175.27.800119.5
32P51.2Low49.1Very low114 Ų114145.8 Ų145.874%0.7479%0.792SS**  cis-125.9159.1-8.120.62.8000113.8
33G39.1Very low49Very low72 Ų72148.3 Ų148.374%0.74279%0.793SS**  trans-74.3140.5160.900000111.5
34N48.4Very low49.1Very low153 Ų153145 Ų14582%0.81879%0.794SS**  trans-163.6149.5143.4-142.3-77000110.7
35I45.2Very low49Very low143 Ų143143.5 Ų143.573%0.73379%0.792SS**  trans-58.1150.4-169.838.4157.7000116.8
36Q37.4Very low49.7Very low171 Ų171143 Ų14380%0.79979%0.785SS**  trans29.8129.8144.1-49.9-149.1-68.500119
37F45.6Very low50.2Low206 Ų206139.1 Ų139.190%0.90479%0.785SS**  -173.4148.5113.7-114-119.5000111.2
38F44.8Very low50.6Low209 Ų209139.2 Ų139.292%0.91778%0.783SS**  trans-72.3125.7-174.4-171.2-97.2000111.1
39G51.3Low51.4Low71 Ų71137.4 Ų137.473%0.73278%0.783SS**  trans-170.5102.3176.700000112.7G41G39-G41 PolarHBondContact O-N 3.08Å
40S45.2Very low52Low124 Ų124134.1 Ų134.187%0.86777%0.773SS**  trans-70.6112.8175.8480000111.1
41G48.3Very low52.2Low63 Ų63134.7 Ų134.765%0.64978%0.775SS**  trans-149115.5169.200000109.2G39 Q43G39-G41 PolarHBondContact O-N 3.08Å; G41-Q43 PolarHBondContact O-N 2.78Å
42Y45.1Very low52.8Low241 Ų241132.5 Ų132.595%0.94577%0.772SS**  trans-61.8103.3175.7-74.9-101.7000109.1
43Q52.8Low53.3Low178 Ų178134.8 Ų134.883%0.83277%0.773SS**PPolyproline II helixtrans-99.4133.2161.5-82.4-143.6-99.300109.6G41 A45G41-Q43 PolarHBondContact O-N 2.78Å; Q43-A45 PolarHBondContact O-N 2.78Å
44P57.4Low53.9Low117 Ų117139.1 Ų139.176%0.7677%0.774SS**PPolyproline II helixtrans-65.3124.8176.324.3-28.3000109.4
45A62.1Low54.2Low93 Ų93136.9 Ų136.977%0.76977%0.768SS**PPolyproline II helixtrans-61.6129.9-17900000110.6Q43Q43-A45 PolarHBondContact O-N 2.78Å
46P64.9Low54.6Low106 Ų106135.8 Ų135.869%0.68877%0.768SS**PPolyproline II helixtrans-66.6149.5172.726.9-31.3000110.1T48P46-T48 PolarHBondContact O-N 3.4Å; P46-T48 VanDerWaalsContact O-N 3.09Å
47P61.3Low55.4Low118 Ų118133.9 Ų133.977%0.76677%0.767SS**PPolyproline II helixtrans-57.2119.1-177.122.8-32.6000110.1T49P47-T49 PolarHBondContact O-N 3.21Å
48T65.1Low55.9Low128 Ų128129 Ų12979%0.78575%0.754SS**  trans-63.398.7170.545.60000108.2P46 V50P46-T48 PolarHBondContact O-N 3.4Å; P46-T48 VanDerWaalsContact O-N 3.09Å; T48-V50 PolarHBondContact O-N 3.34Å; T48-V50 VanDerWaalsContact O-N 3.1Å
49T60.9Low56.7Low116 Ų116123.3 Ų123.371%0.71275%0.747SS**  trans-68.6105.2164.846.80000107P47 I51P47-T49 PolarHBondContact O-N 3.21Å; T49-I51 VanDerWaalsContact C-N 3.32Å; T49-I51 PolarHBondContact O-N 3.21Å
50V63.6Low57.3Low119 Ų119122 Ų12272%0.72172%0.724SS**  trans-6996.6169.4-179.50000106.5T48 V52T48-V50 PolarHBondContact O-N 3.34Å; T48-V50 VanDerWaalsContact O-N 3.1Å; V50-V52 VanDerWaalsContact C-N 3.3Å; V50-V52 HydrophobicContact CG1-CG2 3.94Å; V50-V52 PolarHBondContact O-N 3.48Å
51I60Low58.3Low124 Ų124120.1 Ų120.164%0.63672%0.717SS**  trans-72.394.1168.4-56.7174.4000106.1T49 H53T49-I51 VanDerWaalsContact C-N 3.32Å; T49-I51 PolarHBondContact O-N 3.21Å; I51-H53 VanDerWaalsContact C-N 3.34Å; I51-H53 PolarHBondContact O-N 2.94Å
52V60.3Low59.4Low116 Ų116119.7 Ų119.770%0.70370%0.696SS**  trans-68.997.4167.7-177.90000106.3V50 Q54V50-V52 VanDerWaalsContact C-N 3.3Å; V50-V52 HydrophobicContact CG1-CG2 3.94Å; V50-V52 PolarHBondContact O-N 3.48Å; V52-Q54 VanDerWaalsContact C-N 3.26Å; V52-Q54 PolarHBondContact O-N 2.85Å
53H59.7Low60.7Low162 Ų162112.4 Ų112.475%0.7567%0.67SS**  trans-63.193.3166.4-66146.8000107.6I51I51-H53 VanDerWaalsContact C-N 3.34Å; I51-H53 PolarHBondContact O-N 2.94Å
54Q52.5Low61.4Low164 Ų164106.2 Ų106.277%0.76664%0.639SS**  trans-63.3128.3168.4-166.7159.930.300106.7V52 T56V52-Q54 VanDerWaalsContact C-N 3.26Å; V52-Q54 PolarHBondContact O-N 2.85Å; Q54-T56 PolarHBondContact O-N 3.05Å
55P54.7Low62.3Low106 Ų106106.7 Ų106.769%0.68863%0.631SS**  trans-59.411017423.1-31000106.6V57P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 PolarHBondContact O-N 2.76Å
56T53.5Low63Low120 Ų120105.7 Ų105.774%0.73662%0.617SS**  trans-57.6101.8168.3-55.20000105.3Q54 T58Q54-T56 PolarHBondContact O-N 3.05Å; T56-T58 PolarHBondContact O-N 2.72Å; T56-T58 PolarHBondContact O-OG1 3.15Å
57V54.9Low63.8Low130 Ų130102.1 Ų102.179%0.78859%0.593SS**  trans-70.281.8165.3-174.60000103.8P55 A59P55-V57 VanDerWaalsContact C-N 3.27Å; P55-V57 PolarHBondContact O-N 2.76Å; V57-A59 PolarHBondContact O-N 3.09Å
58T56.7Low64.8Low103 Ų10399.2 Ų99.263%0.63259%0.585SS**  trans-64.193.9171.9-39.50000104.5T56 T60T56-T58 PolarHBondContact O-N 2.72Å; T56-T58 PolarHBondContact O-OG1 3.15Å; T58-T60 PolarHBondContact O-N 3.48Å; T58-T60 PolarHBondContact O-OG1 3.05Å
59A60.3Low65.5Low91 Ų9193.7 Ų93.775%0.75255%0.55SS**  trans-56.295.8171.300000105.5V57 A61V57-A59 PolarHBondContact O-N 3.09Å; A59-A61 PolarHBondContact O-N 2.86Å
60T64.3Low66.7Low42 Ų4292.7 Ų92.726%0.25854%0.544SS..  trans-72113-173.1-18.40000104.2T58 Y62 V67 I69T58-T60 PolarHBondContact O-N 3.48Å; T58-T60 PolarHBondContact O-OG1 3.05Å; T60-Y62 WeakPolarHBondContact O-CD2 3.48Å; T60-Y62 WeakPolarHBondContact O-CE2 3.16Å; T60-Y62 PolarHBondContact O-N 3.49Å; T60-V67 HydrophobicContact CG2-CB 4.48Å; T60-V67 HydrophobicContact CG2-CG2 4.26Å; T60-I69 HydrophobicContact CG2-CG2 3.68Å
61A66.2Low67.6Low86 Ų8687 Ų8771%0.71151%0.51SS*.  trans-65.390.8177.800000107.7A59 H63A59-A61 PolarHBondContact O-N 2.86Å; A61-H63 PolarHBondContact O-N 3.45Å
62Y71.3Confident68.8Low53 Ų5385.1 Ų85.121%0.20851%0.505CS..  trans-64128.3174.6-65.2-71.4000107.9T60 V67 I69 H121 V130 Y133T60-Y62 WeakPolarHBondContact O-CD2 3.48Å; T60-Y62 WeakPolarHBondContact O-CE2 3.16Å; T60-Y62 PolarHBondContact O-N 3.49Å; Y62-V67 HydrophobicContact CD1-CG2 3.77Å; Y62-V67 HydrophobicContact CE1-CG2 3.99Å; Y62-I69 HydrophobicContact CE1-CG2 3.92Å; Y62-H121 HydrophobicContact CD1-CB 3.96Å; Y62-H121 AromaticContact CD1-CD2 3.7Å; Y62-H121 AromaticContact CD1-CG 3.55Å; Y62-H121 AromaticContact CD1-ND1 3.79Å; Y62-H121 HydrophobicContact CE1-CB 4.11Å; Y62-V130 HydrophobicContact CE1-CG2 4.36Å; Y62-V130 PolarHBondContact OH-O 3.01Å; Y62-V130 VanDerWaalsContact OH-O 3.05Å; Y62-Y133 WeakPolarHBondContact O-CD2 3.46Å
63H71.6Confident70.1Confident89 Ų8984.5 Ų84.541%0.41249%0.493SS..  trans-133.6-170.7-179.5-15839.3000109.8A61 H65 H121 Y133A61-H63 PolarHBondContact O-N 3.45Å; H63-H65 PolarHBondContact O-N 3.48Å; H63-H65 VanDerWaalsContact O-N 3.12Å; H63-H121 PolarHBondContact O-CE1 3.01Å; H63-H121 VanDerWaalsContact O-CE1 3.24Å; H63-H121 PolarHBondContact O-NE2 2.97Å; H63-Y133 AromaticContact CE1-CZ 3.87Å; H63-Y133 PolarHBondContact CE1-OH 3.11Å; H63-Y133 AromaticContact ND1-CE1 3.84Å; H63-Y133 AromaticContact ND1-CE2 3.79Å; H63-Y133 AromaticContact ND1-CZ 3.47Å
64R69.3Low71.4Confident47 Ų4779.1 Ų79.118%0.17747%0.473CS..SBendtrans-63.1-18.3175.9-64.6-173.2175.8-62.3-27113.8S115 T116 K117 Y133 P135R64-S115 PolarHBondContact NE-O 3.34Å; R64-S115 PolarHBondContact NH2-O 3.14Å; R64-T116 VanDerWaalsContact NH2-CA 3.32Å; R64-K117 VanDerWaalsContact NH1-CG 3.25Å; R64-K117 PolarHBondContact NH1-O 3.42Å; R64-K117 PolarHBondContact NH2-O 2.96Å; R64-Y133 HydrophobicContact CG-CD1 4.39Å; R64-Y133 HydrophobicContact CG-CE1 4.04Å; R64-P135 VanDerWaalsContact NH2-CG 3.26Å
65H75.6Confident73Confident128 Ų12878.4 Ų78.459%0.59347%0.469SS*.SBendtrans-101.2148.3-175.2-65.6-70000112H63 V67 H121H63-H65 PolarHBondContact O-N 3.48Å; H63-H65 VanDerWaalsContact O-N 3.12Å; H65-V67 PolarHBondContact O-N 3.05Å; H65-H121 PolarHBondContact O-CE1 2.86Å
66P76.6Confident74.5Confident72 Ų7276.8 Ų76.847%0.46846%0.455SS..  trans-63.2128.2177.229.5-36.4000110.1I79 T80 V82P66-I79 HydrophobicContact CB-CG2 3.59Å; P66-I79 HydrophobicContact CG-CG2 4.26Å; P66-T80 WeakPolarHBondContact CB-O 3.08Å; P66-V82 HydrophobicContact CB-CG2 3.93Å
67V80.5Confident76Confident30 Ų3075.1 Ų75.118%0.18245%0.449CS..  trans-107.6146179.2-69.10000110.1T60 Y62 H65 I69 T80T60-V67 HydrophobicContact CG2-CB 4.48Å; T60-V67 HydrophobicContact CG2-CG2 4.26Å; Y62-V67 HydrophobicContact CD1-CG2 3.77Å; Y62-V67 HydrophobicContact CE1-CG2 3.99Å; H65-V67 PolarHBondContact O-N 3.05Å; V67-I69 HydrophobicContact CG2-CG2 3.79Å; V67-I69 PolarHBondContact O-N 2.91Å; V67-T80 PolarHBondContact N-OG1 3.48Å; V67-T80 PolarHBondContact O-N 3.23Å; V67-T80 PolarHBondContact O-OG1 3.12Å
68G83.6Confident77.3Confident58 Ų5870 Ų7060%0.59842%0.422SS*.EExtended strand (participates in β ladder)trans-71.2119.9169.300000109.1
69I79.5Confident78.7Confident12 Ų1270.6 Ų70.66%0.06242%0.42CS..EExtended strand (participates in β ladder)trans-128.4159.6176.671.5162.1000110.3T60 Y62 V67 S77 G78 T80 V130T60-I69 HydrophobicContact CG2-CG2 3.68Å; Y62-I69 HydrophobicContact CE1-CG2 3.92Å; V67-I69 HydrophobicContact CG2-CG2 3.79Å; V67-I69 PolarHBondContact O-N 2.91Å; I69-S77 WeakPolarHBondContact O-CA 3.24Å; I69-G78 PolarHBondContact N-O 2.98Å; I69-G78 PolarHBondContact O-N 2.83Å; I69-T80 HydrophobicContact CB-CG2 4.29Å; I69-T80 HydrophobicContact CD1-CG2 3.53Å; I69-T80 HydrophobicContact CG1-CG2 3.51Å; I69-T80 HydrophobicContact CG2-CG2 3.85Å; I69-V130 HydrophobicContact CD1-CB 3.44Å; I69-V130 VanDerWaalsContact CD1-CB 3.44Å; I69-V130 HydrophobicContact CD1-CG1 3.61Å; I69-V130 HydrophobicContact CD1-CG2 3.39Å
70T85.1Confident79.9Confident95 Ų9566.4 Ų66.458%0.58339%0.385SS*.EExtended strand (participates in β ladder)trans-96.4115.5158.8-57.70000107.8
71C84.2Confident80.8Confident0 Ų071.5 Ų71.50%040%0.4CS..  trans-66.4126.4-175.8-177.70000111F73 C74 H75 N76 C123 C126C71-F73 PolarHBondContact O-N 2.82Å; C71-F73 PolarHBondContact SG-N 2.87Å; C71-C74 VanDerWaalsContact CB-SG 3.53Å; C71-C74 VanDerWaalsContact SG-SG 3.63Å; C71-H75 WeakPolarHBondContact O-CA 3.43Å; C71-H75 PolarHBondContact O-N 2.91Å; C71-N76 PolarHBondContact N-O 2.86Å; C71-N76 VanDerWaalsContact N-O 3.09Å; C71-C123 HydrophobicContact CB-CB 4.25Å; C71-C123 VanDerWaalsContact SG-SG 3.69Å; C71-C126 VanDerWaalsContact SG-SG 3.66Å
72P83.8Confident81.7Confident83 Ų8369.1 Ų69.154%0.53938%0.376SS..THydrogen-bonded Turntrans-70.8-13.1179.429.5-36.1000113.3
73F87.2Confident82.1Confident104 Ų10475 Ų7546%0.45640%0.398SS..THydrogen-bonded Turntrans-94.7-34.6-177.2-58.7-72.2000114C71 R128 Q129 V130C71-F73 PolarHBondContact O-N 2.82Å; C71-F73 PolarHBondContact SG-N 2.87Å; F73-R128 HydrophobicContact CD2-CB 3.87Å; F73-R128 HydrophobicContact CE2-CB 4.22Å; F73-R128 HydrophobicContact CG-CB 4.42Å; F73-Q129 WeakPolarHBondContact CE2-O 3.35Å; F73-V130 HydrophobicContact CD2-CG1 4.45Å
74C88.8Confident82.3Confident49 Ų4974.5 Ų74.533%0.33140%0.398SS..THydrogen-bonded Turntrans-122.8-1.2-178.364.10000113.4C71 N76 C123 C126C71-C74 VanDerWaalsContact CB-SG 3.53Å; C71-C74 VanDerWaalsContact SG-SG 3.63Å; C74-N76 PolarHBondContact O-N 2.9Å; C74-C123 VanDerWaalsContact SG-SG 3.62Å; C74-C126 HydrophobicContact CB-CB 4.08Å
75H85.9Confident82.4Confident148 Ų14876.4 Ų76.469%0.68541%0.409SS*.  trans58.36.5-176.7-58.6-83.4000115.4C71 S77C71-H75 WeakPolarHBondContact O-CA 3.43Å; C71-H75 PolarHBondContact O-N 2.91Å; H75-S77 PolarHBondContact O-N 3.34Å
76N85.7Confident81.9Confident72 Ų7273.5 Ų73.539%0.38540%0.403SS..  trans-75.7125.9176.2-169.789000110.5C71 C74 S125C71-N76 PolarHBondContact N-O 2.86Å; C71-N76 VanDerWaalsContact N-O 3.09Å; C74-N76 PolarHBondContact O-N 2.9Å; N76-S125 VanDerWaalsContact CG-OG 3.24Å; N76-S125 PolarHBondContact ND2-OG 3.5Å
77S84.9Confident81.5Confident86 Ų8672.4 Ų72.460%0.60141%0.405SS*.EExtended strand (participates in β ladder)trans-81.1130.4170.754.40000110.8I69 H75I69-S77 WeakPolarHBondContact O-CA 3.24Å; H75-S77 PolarHBondContact O-N 3.34Å
78G83.2Confident80.9Confident23 Ų2375.5 Ų75.524%0.23743%0.427CS..EExtended strand (participates in β ladder)trans-176.6-179.8177.800000113I69I69-G78 PolarHBondContact N-O 2.98Å; I69-G78 PolarHBondContact O-N 2.83Å
79I84.4Confident80.1Confident114 Ų11477.1 Ų77.159%0.58542%0.421SS*.EExtended strand (participates in β ladder)trans-86127178.8-61.7177.8000109.1P66 P124P66-I79 HydrophobicContact CB-CG2 3.59Å; P66-I79 HydrophobicContact CG-CG2 4.26Å; I79-P124 WeakPolarHBondContact O-CD 3.04Å; I79-P124 WeakPolarHBondContact O-CG 3.19Å
80T85.6Confident79.8Confident3 Ų378.2 Ų78.22%0.01843%0.429CS..PPolyproline II helixtrans-66.9144.1178.559.70000112.3P66 V67 I69 H121 F122 V130P66-T80 WeakPolarHBondContact CB-O 3.08Å; V67-T80 PolarHBondContact N-OG1 3.48Å; V67-T80 PolarHBondContact O-N 3.23Å; V67-T80 PolarHBondContact O-OG1 3.12Å; I69-T80 HydrophobicContact CB-CG2 4.29Å; I69-T80 HydrophobicContact CD1-CG2 3.53Å; I69-T80 HydrophobicContact CG1-CG2 3.51Å; I69-T80 HydrophobicContact CG2-CG2 3.85Å; T80-H121 HydrophobicContact CG2-CB 4.15Å; T80-H121 PolarHBondContact OG1-ND1 3.44Å; T80-F122 CarbonylContact C-O 3.54Å; T80-F122 VanDerWaalsContact CA-O 3.32Å; T80-F122 WeakPolarHBondContact CA-O 3.34Å; T80-V130 HydrophobicContact CG2-CG2 3.66Å
81R84Confident79.3Confident150 Ų15083.8 Ų83.857%0.56644%0.44SS*.EExtended strand (participates in β ladder)trans-80.8122.6166.3-69.4-176.4172.9170.8-3.5109.7H121 F122R81-H121 CarbonylContact O-C 3.56Å; R81-H121 WeakPolarHBondContact O-CA 3.29Å; R81-F122 HydrophobicContact CB-CB 4.36Å; R81-F122 PolarHBondContact N-O 2.98Å; R81-F122 PolarHBondContact O-N 3.49Å
82V84.1Confident78.9Confident36 Ų3688.8 Ų88.822%0.21847%0.466CS..EExtended strand (participates in β ladder)trans-94.8123.8177.9-173.30000110P66 L84 A119 R120P66-V82 HydrophobicContact CB-CG2 3.93Å; V82-L84 HydrophobicContact CG1-CD2 3.97Å; V82-L84 HydrophobicContact CG1-CG 4.15Å; V82-A119 HydrophobicContact CG1-CB 3.68Å; V82-R120 CarbonylContact C-O 3.6Å; V82-R120 WeakPolarHBondContact CA-O 3.24Å
83R80.5Confident78.4Confident177 Ų17786.9 Ų86.967%0.66845%0.451SS*.EExtended strand (participates in β ladder)trans-104.9118.7166.6-69-70-172.1164-0.6108.4R120 F122R83-R120 HydrophobicContact CB-CB 4.4Å; R83-R120 PolarHBondContact N-O 3.39Å; R83-R120 PolarHBondContact O-N 2.87Å; R83-F122 HydrophobicContact CB-CD2 4.4Å; R83-F122 HydrophobicContact CB-CE2 3.88Å; R83-F122 HydrophobicContact CG-CD2 3.95Å; R83-F122 HydrophobicContact CG-CE2 3.68Å
84L75.7Confident77.7Confident77 Ų7784.7 Ų84.740%0.40345%0.448SS..EExtended strand (participates in β ladder)trans-92.2116.8177.5-61.9159.2000107.1V82 K117 S118 A119V82-L84 HydrophobicContact CG1-CD2 3.97Å; V82-L84 HydrophobicContact CG1-CG 4.15Å; L84-K117 HydrophobicContact CB-CD 3.68Å; L84-K117 HydrophobicContact CB-CG 4Å; L84-K117 HydrophobicContact CD1-CD 4.47Å; L84-K117 VanDerWaalsContact CD1-CE 3.47Å; L84-K117 HydrophobicContact CD2-CD 4.26Å; L84-K117 HydrophobicContact CD2-CG 3.96Å; L84-K117 HydrophobicContact CG-CD 4.31Å; L84-K117 HydrophobicContact CG-CG 4.49Å; L84-S118 WeakPolarHBondContact CA-O 3.3Å; L84-A119 HydrophobicContact CD2-CB 3.84Å
85E70.9Confident77.2Confident87 Ų8784.4 Ų84.441%0.40745%0.454SS..EExtended strand (participates in β ladder)trans-101.4107.9175.7-73.1-179.6162.100108.6K117 S118 R120E85-K117 WeakPolarHBondContact O-CB 3.41Å; E85-S118 PolarHBondContact N-O 3.23Å; E85-S118 PolarHBondContact O-N 2.84Å; E85-R120 IonicContact OE1-CZ 3.45Å; E85-R120 IonicContact OE1-NE 3.22Å; E85-R120 PolarHBondContact OE1-NE 2.85Å; E85-R120 IonicContact OE1-NH2 3.43Å; E85-R120 PolarHBondContact OE1-NH2 3.29Å; E85-R120 IonicContact OE2-CZ 3.13Å; E85-R120 IonicContact OE2-NE 2.72Å; E85-R120 PolarHBondContact OE2-NE 3.34Å; E85-R120 IonicContact OE2-NH2 2.77Å; E85-R120 PolarHBondContact OE2-NH2 3.45Å
86S66.5Low76.8Confident68 Ų6881.4 Ų81.448%0.47644%0.442SS..  trans-79.4121.8170.7-56.30000108.2D114S86-D114 PolarHBondContact OG-OD1 2.88Å
87G66.8Low76.4Confident49 Ų4979.5 Ų79.551%0.50543%0.431SS..  trans-69.3-177.617600000112.5L89 P90G87-L89 PolarHBondContact O-N 3.32Å; G87-L89 VanDerWaalsContact O-N 3.11Å; G87-P90 WeakPolarHBondContact O-CD 3.48Å
88C68Low75.8Confident95 Ų9579.3 Ų79.364%0.64243%0.429SS*.SBendtrans-67.8-5.4174.1-57.20000113.5W91 L92C88-W91 WeakPolarHBondContact O-CB 3.46Å; C88-W91 PolarHBondContact O-N 3.24Å; C88-L92 WeakPolarHBondContact O-CG 3.34Å; C88-L92 PolarHBondContact O-N 3.39Å
89L68.3Low75.5Confident92 Ų9286.7 Ų86.748%0.48246%0.455SS..Hα-helixtrans-61-46.3-172.7-166.271.7000113.7G87 W91 L92 L93G87-L89 PolarHBondContact O-N 3.32Å; G87-L89 VanDerWaalsContact O-N 3.11Å; L89-W91 PolarHBondContact O-N 2.92Å; L89-L92 PolarHBondContact O-N 3.32Å; L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.82Å
90P72.2Confident74.9Confident35 Ų3588.8 Ų88.823%0.22746%0.46CS..Hα-helixtrans-63.6-33.8176.6-20.234.6000112G87 C94G87-P90 WeakPolarHBondContact O-CD 3.48Å; P90-C94 WeakPolarHBondContact O-CB 3.45Å; P90-C94 PolarHBondContact O-N 3.22Å
91W75.5Confident74.1Confident211 Ų21191 Ų9180%0.79948%0.484SS*.Hα-helixtrans-65.8-45.4174.6-73.392.6000111.9C88 L89 C94 G95C88-W91 WeakPolarHBondContact O-CB 3.46Å; C88-W91 PolarHBondContact O-N 3.24Å; L89-W91 PolarHBondContact O-N 2.92Å; W91-C94 PolarHBondContact O-N 3.29Å; W91-G95 PolarHBondContact O-N 3.37Å
92L75.2Confident73.1Confident106 Ų10689.9 Ų89.956%0.55548%0.483SS*.Hα-helixtrans-62.8-45.8176.1-71.8176.8000111.5C88 L89 C94 G95 I96C88-L92 WeakPolarHBondContact O-CG 3.34Å; C88-L92 PolarHBondContact O-N 3.39Å; L89-L92 PolarHBondContact O-N 3.32Å; L92-C94 PolarHBondContact O-N 3.1Å; L92-G95 PolarHBondContact O-N 2.77Å; L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.1Å; L92-I96 PolarHBondContact O-N 3.43Å
93L73.9Confident72.1Confident42 Ų4297 Ų9722%0.2251%0.511CS..Hα-helixtrans-62.5-43.8177-69.6175.8000111.1L89 G95 I96 L97 P110 L113L89-L93 HydrophobicContact CG-CD1 4.29Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.82Å; L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.72Å; L93-I96 PolarHBondContact O-N 2.81Å; L93-L97 WeakPolarHBondContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 PolarHBondContact O-N 3.42Å; L93-P110 HydrophobicContact CB-CB 3.8Å; L93-P110 HydrophobicContact CD1-CB 4.28Å; L93-L113 HydrophobicContact CD1-CD1 3.31Å
94C71.5Confident71.1Confident58 Ų5898.7 Ų98.739%0.39252%0.524SS..Hα-helixtrans-56.7-47.4172.4-173.60000111.2P90 W91 L92 I96 L97 C98P90-C94 WeakPolarHBondContact O-CB 3.45Å; P90-C94 PolarHBondContact O-N 3.22Å; W91-C94 PolarHBondContact O-N 3.29Å; L92-C94 PolarHBondContact O-N 3.1Å; C94-I96 PolarHBondContact O-N 2.83Å; C94-L97 PolarHBondContact O-N 3.24Å; C94-C98 WeakPolarHBondContact O-CB 3.46Å; C94-C98 PolarHBondContact O-N 3.07Å; C94-C98 PolarHBondContact O-SG 3.25Å
95G78.2Confident70.4Confident44 Ų4497.2 Ų97.245%0.45453%0.527SS..Hα-helixtrans-60-43.3176.800000113.5W91 L92 L93 C98 F99W91-G95 PolarHBondContact O-N 3.37Å; L92-G95 PolarHBondContact O-N 2.77Å; L93-G95 VanDerWaalsContact C-N 3.33Å; L93-G95 PolarHBondContact O-N 2.72Å; G95-C98 PolarHBondContact O-N 2.93Å; G95-F99 PolarHBondContact O-N 3.33Å
96I78.1Confident69.8Low85 Ų8593.9 Ų93.944%0.43651%0.514SS..Hα-helixtrans-64.2-49.2176.6-68.5164.1000110.1L92 L93 C94 C98 F99 F100L92-I96 VanDerWaalsContact O-CG1 3.24Å; L92-I96 WeakPolarHBondContact O-CG1 3.1Å; L92-I96 PolarHBondContact O-N 3.43Å; L93-I96 PolarHBondContact O-N 2.81Å; C94-I96 PolarHBondContact O-N 2.83Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.63Å; I96-F99 WeakPolarHBondContact O-CB 3.46Å; I96-F99 PolarHBondContact O-N 3.19Å; I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.93Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 2.95Å; I96-F100 PolarHBondContact O-N 2.88Å; I96-F100 VanDerWaalsContact O-N 3.08Å
97L76.7Confident69.2Low31 Ų3193.9 Ų93.916%0.16251%0.512CS..Hα-helixtrans-61.7-39.3-179.9-9066.3000112L93 C94 F99 F100 C106 P110L93-L97 WeakPolarHBondContact O-CB 3.32Å; L93-L97 WeakPolarHBondContact O-CD1 3.16Å; L93-L97 PolarHBondContact O-N 3.42Å; C94-L97 PolarHBondContact O-N 3.24Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 2.76Å; L97-F100 PolarHBondContact O-N 3.11Å; L97-C106 VanDerWaalsContact CD2-C 3.47Å; L97-C106 HydrophobicContact CD2-CB 4.09Å; L97-C106 WeakPolarHBondContact CD2-O 3.43Å; L97-C106 VanDerWaalsContact CD2-SG 3.53Å; L97-P110 HydrophobicContact CD2-CG 4.15Å
98C73.2Confident68.7Low82 Ų8297.6 Ų97.655%0.55452%0.52SS*.Hα-helixtrans-61.6-38.1172.2-74.20000112C94 G95 I96C94-C98 WeakPolarHBondContact O-CB 3.46Å; C94-C98 PolarHBondContact O-N 3.07Å; C94-C98 PolarHBondContact O-SG 3.25Å; G95-C98 PolarHBondContact O-N 2.93Å; I96-C98 VanDerWaalsContact C-N 3.31Å; I96-C98 PolarHBondContact O-N 2.63Å
99F75.9Confident68.4Low179 Ų17998.1 Ų98.179%0.78552%0.515SS*.Hα-helixtrans-70.1-33.9-179.8-161.3-96.7000113G95 I96 L97 G101G95-F99 PolarHBondContact O-N 3.33Å; I96-F99 WeakPolarHBondContact O-CB 3.46Å; I96-F99 PolarHBondContact O-N 3.19Å; L97-F99 VanDerWaalsContact C-N 3.3Å; L97-F99 PolarHBondContact O-N 2.76Å; F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.16Å
100F72.9Confident67.9Low158 Ų15894.2 Ų94.269%0.69350%0.496SS*.THydrogen-bonded Turntrans-87.811.8-178.9-76.2-80.3000114.6I96 L97 F102I96-F100 HydrophobicContact CG2-CD2 3.81Å; I96-F100 HydrophobicContact CG2-CE2 3.93Å; I96-F100 VanDerWaalsContact O-CD2 3.29Å; I96-F100 WeakPolarHBondContact O-CD2 2.95Å; I96-F100 PolarHBondContact O-N 2.88Å; I96-F100 VanDerWaalsContact O-N 3.08Å; L97-F100 PolarHBondContact O-N 3.11Å; F100-F102 VanDerWaalsContact C-N 3.34Å; F100-F102 PolarHBondContact O-N 3.42Å
101G68.2Low67.2Low50 Ų50100.6 Ų100.652%0.51552%0.52SS..THydrogen-bonded Turntrans71.919.2166.200000115.9F99 F103F99-G101 VanDerWaalsContact C-N 3.32Å; F99-G101 PolarHBondContact O-N 3.16Å; G101-F103 PolarHBondContact O-N 3.33Å; G101-F103 VanDerWaalsContact O-N 3.11Å
102F63.2Low66.3Low126 Ų12694.7 Ų94.755%0.55351%0.51SS*.  trans-94.565.9-167.6-150.3-71.7000111.5F100 F104 C106F100-F102 VanDerWaalsContact C-N 3.34Å; F100-F102 PolarHBondContact O-N 3.42Å; F102-F104 VanDerWaalsContact C-N 3.28Å; F102-F104 PolarHBondContact O-N 3.02Å; F102-C106 WeakPolarHBondContact CB-SG 3.44Å; F102-C106 HydrophobicContact CD1-CB 3.32Å; F102-C106 WeakPolarHBondContact CD1-SG 3.44Å; F102-C106 HydrophobicContact CE1-CB 3.59Å; F102-C106 HydrophobicContact CG-CB 4.04Å; F102-C106 WeakPolarHBondContact CG-SG 3.38Å; F102-C106 PolarHBondContact O-SG 3.47Å; F102-C106 VanDerWaalsContact O-SG 3.36Å
103F62.4Low65.3Low185 Ų18592.9 Ų92.981%0.81150%0.501SS*.THydrogen-bonded Turntrans-69.8-13.9-174.5-87.5-93.5000115.3G101G101-F103 PolarHBondContact O-N 3.33Å; G101-F103 VanDerWaalsContact O-N 3.11Å
104F60.1Low64.6Low213 Ų21393.5 Ų93.593%0.93450%0.504SS*.THydrogen-bonded Turntrans-102.313-166.7-97.6-86.5000116.4F102F102-F104 VanDerWaalsContact C-N 3.28Å; F102-F104 PolarHBondContact O-N 3.02Å
105G60.3Low63.8Low46 Ų4694.7 Ų94.747%0.47451%0.513SS..THydrogen-bonded Turntrans153.7-5.8167.500000119.3C107G105-C107 VanDerWaalsContact C-N 3.35Å; G105-C107 PolarHBondContact O-N 3.46Å
106C58.6Low62.8Low17 Ų1795.7 Ų95.712%0.11551%0.511CS..G310 helixtrans-80.7-13.3-178.169.40000113.9L97 F102 L108 I109L97-C106 VanDerWaalsContact CD2-C 3.47Å; L97-C106 HydrophobicContact CD2-CB 4.09Å; L97-C106 WeakPolarHBondContact CD2-O 3.43Å; L97-C106 VanDerWaalsContact CD2-SG 3.53Å; F102-C106 WeakPolarHBondContact CB-SG 3.44Å; F102-C106 HydrophobicContact CD1-CB 3.32Å; F102-C106 WeakPolarHBondContact CD1-SG 3.44Å; F102-C106 HydrophobicContact CE1-CB 3.59Å; F102-C106 HydrophobicContact CG-CB 4.04Å; F102-C106 WeakPolarHBondContact CG-SG 3.38Å; F102-C106 PolarHBondContact O-SG 3.47Å; F102-C106 VanDerWaalsContact O-SG 3.36Å; C106-L108 PolarHBondContact O-N 3.44Å; C106-I109 HydrophobicContact CB-CD1 4.22Å; C106-I109 WeakPolarHBondContact O-CB 3.29Å; C106-I109 WeakPolarHBondContact O-CG1 3.44Å; C106-I109 PolarHBondContact O-N 3.1Å
107C55.1Low62.2Low67 Ų6793.7 Ų93.745%0.45350%0.499SS..G310 helixtrans-62.4-10.5177.6-58.80000113.7G105 P110G105-C107 VanDerWaalsContact C-N 3.35Å; G105-C107 PolarHBondContact O-N 3.46Å; C107-P110 WeakPolarHBondContact O-CD 3.47Å; C107-P110 VanDerWaalsContact O-CG 3.26Å; C107-P110 WeakPolarHBondContact O-CG 3.47Å
108L56.1Low62Low127 Ų12793.3 Ų93.367%0.66550%0.499SS*.G310 helixtrans-77.8-22.8171.2-102.1102.3000113.9C106 F111 C112C106-L108 PolarHBondContact O-N 3.44Å; L108-F111 VanDerWaalsContact O-CB 3.3Å; L108-F111 WeakPolarHBondContact O-CB 3.37Å; L108-F111 PolarHBondContact O-N 2.77Å; L108-F111 VanDerWaalsContact O-N 3.07Å; L108-C112 PolarHBondContact O-N 3.16Å
109I61.4Low62.2Low106 Ų10689.4 Ų89.454%0.54447%0.473SS..Hα-helixtrans-61.1-45.9179.9-57.6177.4000112.5C106 F111 C112 L113C106-I109 HydrophobicContact CB-CD1 4.22Å; C106-I109 WeakPolarHBondContact O-CB 3.29Å; C106-I109 WeakPolarHBondContact O-CG1 3.44Å; C106-I109 PolarHBondContact O-N 3.1Å; I109-F111 PolarHBondContact O-N 3.2Å; I109-F111 VanDerWaalsContact O-N 3.14Å; I109-C112 PolarHBondContact O-N 3.32Å; I109-C112 VanDerWaalsContact O-N 3.11Å; I109-L113 PolarHBondContact O-N 2.99Å
110P57.8Low62.6Low11 Ų1184.8 Ų84.87%0.07145%0.45CS..Hα-helixtrans-64-17.4175.723.9-34.3000113.5L93 L97 C107L93-P110 HydrophobicContact CB-CB 3.8Å; L93-P110 HydrophobicContact CD1-CB 4.28Å; L97-P110 HydrophobicContact CD2-CG 4.15Å; C107-P110 WeakPolarHBondContact O-CD 3.47Å; C107-P110 VanDerWaalsContact O-CG 3.26Å; C107-P110 WeakPolarHBondContact O-CG 3.47Å
111F56.7Low63.2Low168 Ų16877.2 Ų77.274%0.73742%0.417SS*.Hα-helixtrans-81.5-29.2175.2-130.6-94.9000112.6L108 I109 L113 D114L108-F111 VanDerWaalsContact O-CB 3.3Å; L108-F111 WeakPolarHBondContact O-CB 3.37Å; L108-F111 PolarHBondContact O-N 2.77Å; L108-F111 VanDerWaalsContact O-N 3.07Å; I109-F111 PolarHBondContact O-N 3.2Å; I109-F111 VanDerWaalsContact O-N 3.14Å; F111-L113 VanDerWaalsContact C-N 3.31Å; F111-D114 WeakPolarHBondContact O-CB 3.35Å; F111-D114 PolarHBondContact O-N 3.11Å
112C57.6Low64.2Low88 Ų8877.3 Ų77.360%0.59540%0.403SS*.Hα-helixtrans-72.1-25.3173.8-66.60000113L108 I109 D114 S115L108-C112 PolarHBondContact O-N 3.16Å; I109-C112 PolarHBondContact O-N 3.32Å; I109-C112 VanDerWaalsContact O-N 3.11Å; C112-D114 PolarHBondContact O-N 3.18Å; C112-S115 PolarHBondContact O-N 2.91Å; C112-S115 PolarHBondContact O-OG 2.91Å
113L54.5Low65.3Low67 Ų6771.4 Ų71.435%0.35138%0.377SS..G310 helixtrans-79.94.7177.6-67.6168.6000113.7L93 I109 F111 S115 T116L93-L113 HydrophobicContact CD1-CD1 3.31Å; I109-L113 PolarHBondContact O-N 2.99Å; F111-L113 VanDerWaalsContact C-N 3.31Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.1Å; L113-T116 PolarHBondContact O-N 3.07Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.25Å
114D57.4Low66.5Low55 Ų5564.8 Ų64.829%0.29435%0.353SS..G310 helixtrans-64.4-11166.1-148.435.6000111.5S86 F111 C112 T116 K117S86-D114 PolarHBondContact OG-OD1 2.88Å; F111-D114 WeakPolarHBondContact O-CB 3.35Å; F111-D114 PolarHBondContact O-N 3.11Å; C112-D114 PolarHBondContact O-N 3.18Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-K117 WeakPolarHBondContact O-CD 3.48Å; D114-K117 VanDerWaalsContact O-CG 3.29Å; D114-K117 WeakPolarHBondContact O-CG 3.32Å; D114-K117 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact OD1-CD 3.12Å; D114-K117 IonicContact OD1-NZ 2.77Å; D114-K117 IonicContact OD2-NZ 3.84Å; D114-K117 PolarHBondContact OD2-NZ 3.5Å
115S55.9Low67.8Low83 Ų8357.7 Ų57.758%0.5833%0.33SS*.G310 helixtrans-71.34.9168.2-54.20000114.6R64 C112 L113R64-S115 PolarHBondContact NE-O 3.34Å; R64-S115 PolarHBondContact NH2-O 3.14Å; C112-S115 PolarHBondContact O-N 2.91Å; C112-S115 PolarHBondContact O-OG 2.91Å; L113-S115 PolarHBondContact O-N 2.89Å; L113-S115 VanDerWaalsContact O-N 3.1Å
116T57.5Low69.2Low65 Ų6557.5 Ų57.540%0.39932%0.32SS..G310 helixtrans-118.17.4171.865.80000114.3R64 L113 D114 P135R64-T116 VanDerWaalsContact NH2-CA 3.32Å; L113-T116 PolarHBondContact O-N 3.07Å; L113-T116 VanDerWaalsContact O-N 3.07Å; L113-T116 PolarHBondContact O-OG1 3.25Å; D114-T116 PolarHBondContact O-N 3.11Å; T116-P135 VanDerWaalsContact CA-CG 3.49Å; T116-P135 WeakPolarHBondContact O-CG 3.42Å
117K65.4Low70.5Confident43 Ų4361.2 Ų61.219%0.18734%0.339CS..  trans-65.5142.7176.966.6-161.2175.5-173.80112R64 L84 E85 D114R64-K117 VanDerWaalsContact NH1-CG 3.25Å; R64-K117 PolarHBondContact NH1-O 3.42Å; R64-K117 PolarHBondContact NH2-O 2.96Å; L84-K117 HydrophobicContact CB-CD 3.68Å; L84-K117 HydrophobicContact CB-CG 4Å; L84-K117 HydrophobicContact CD1-CD 4.47Å; L84-K117 VanDerWaalsContact CD1-CE 3.47Å; L84-K117 HydrophobicContact CD2-CD 4.26Å; L84-K117 HydrophobicContact CD2-CG 3.96Å; L84-K117 HydrophobicContact CG-CD 4.31Å; L84-K117 HydrophobicContact CG-CG 4.49Å; E85-K117 WeakPolarHBondContact O-CB 3.41Å; D114-K117 WeakPolarHBondContact O-CD 3.48Å; D114-K117 VanDerWaalsContact O-CG 3.29Å; D114-K117 WeakPolarHBondContact O-CG 3.32Å; D114-K117 PolarHBondContact O-N 3.19Å; D114-K117 WeakPolarHBondContact OD1-CD 3.12Å; D114-K117 IonicContact OD1-NZ 2.77Å; D114-K117 IonicContact OD2-NZ 3.84Å; D114-K117 PolarHBondContact OD2-NZ 3.5Å
118S71.1Confident72Confident24 Ų2464.7 Ų64.717%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-74.4137.3176.9-67.40000109.9L84 E85 Y132 Y133L84-S118 WeakPolarHBondContact CA-O 3.3Å; E85-S118 PolarHBondContact N-O 3.23Å; E85-S118 PolarHBondContact O-N 2.84Å; S118-Y132 WeakPolarHBondContact CB-OH 3.4Å; S118-Y132 PolarHBondContact OG-OH 3.21Å; S118-Y133 CarbonylContact C-O 3.59Å; S118-Y133 WeakPolarHBondContact CA-O 3.31Å
119A78.3Confident73.5Confident0 Ų062.3 Ų62.30%033%0.328CS..EExtended strand (participates in β ladder)trans-106.3117.1177.100000109.8V82 L84 Y133V82-A119 HydrophobicContact CG1-CB 3.68Å; L84-A119 HydrophobicContact CD2-CB 3.84Å; A119-Y133 HydrophobicContact CB-CD1 4.31Å; A119-Y133 PolarHBondContact N-O 3.3Å; A119-Y133 PolarHBondContact O-N 3.36Å
120R84.8Confident74.6Confident81 Ų8158.4 Ų58.431%0.30631%0.309SS..EExtended strand (participates in β ladder)trans-96.1124.4170.7-64.6-171.9-171.9-147.213.5109.5V82 R83 E85 F122 Y132V82-R120 CarbonylContact C-O 3.6Å; V82-R120 WeakPolarHBondContact CA-O 3.24Å; R83-R120 HydrophobicContact CB-CB 4.4Å; R83-R120 PolarHBondContact N-O 3.39Å; R83-R120 PolarHBondContact O-N 2.87Å; E85-R120 IonicContact OE1-CZ 3.45Å; E85-R120 IonicContact OE1-NE 3.22Å; E85-R120 PolarHBondContact OE1-NE 2.85Å; E85-R120 IonicContact OE1-NH2 3.43Å; E85-R120 PolarHBondContact OE1-NH2 3.29Å; E85-R120 IonicContact OE2-CZ 3.13Å; E85-R120 IonicContact OE2-NE 2.72Å; E85-R120 PolarHBondContact OE2-NE 3.34Å; E85-R120 IonicContact OE2-NH2 2.77Å; E85-R120 PolarHBondContact OE2-NH2 3.45Å; R120-F122 HydrophobicContact CB-CD2 4.34Å; R120-F122 HydrophobicContact CB-CE2 3.52Å; R120-F122 HydrophobicContact CB-CZ 4.02Å; R120-Y132 HydrophobicContact CG-CD2 3.93Å; R120-Y132 HydrophobicContact CG-CE2 4.25Å
121H85.8Confident75.6Confident0 Ų058.2 Ų58.20%031%0.31CS..EExtended strand (participates in β ladder)trans-97.8129.2177.4-66.7-105.9000110.1Y62 H63 H65 T80 R81 Q129 V130 G131Y62-H121 HydrophobicContact CD1-CB 3.96Å; Y62-H121 AromaticContact CD1-CD2 3.7Å; Y62-H121 AromaticContact CD1-CG 3.55Å; Y62-H121 AromaticContact CD1-ND1 3.79Å; Y62-H121 HydrophobicContact CE1-CB 4.11Å; H63-H121 PolarHBondContact O-CE1 3.01Å; H63-H121 VanDerWaalsContact O-CE1 3.24Å; H63-H121 PolarHBondContact O-NE2 2.97Å; H65-H121 PolarHBondContact O-CE1 2.86Å; T80-H121 HydrophobicContact CG2-CB 4.15Å; T80-H121 PolarHBondContact OG1-ND1 3.44Å; R81-H121 CarbonylContact O-C 3.56Å; R81-H121 WeakPolarHBondContact O-CA 3.29Å; H121-Q129 CarbonylContact O-C 3.58Å; H121-Q129 WeakPolarHBondContact O-CA 3.39Å; H121-V130 HydrophobicContact CB-CG2 3.77Å; H121-V130 VanDerWaalsContact O-CG2 3.24Å; H121-V130 WeakPolarHBondContact O-CG2 3.11Å; H121-V130 PolarHBondContact O-N 3.08Å; H121-G131 PolarHBondContact N-O 2.89Å; H121-G131 PolarHBondContact O-N 3.38Å
122F87.9Confident76.8Confident52 Ų5255.7 Ų55.723%0.22830%0.296CS..EExtended strand (participates in β ladder)trans-118.4143.1177.6-63.3-90.5000111.2T80 R81 R83 R120 N127 R128 Q129T80-F122 CarbonylContact C-O 3.54Å; T80-F122 VanDerWaalsContact CA-O 3.32Å; T80-F122 WeakPolarHBondContact CA-O 3.34Å; R81-F122 HydrophobicContact CB-CB 4.36Å; R81-F122 PolarHBondContact N-O 2.98Å; R81-F122 PolarHBondContact O-N 3.49Å; R83-F122 HydrophobicContact CB-CD2 4.4Å; R83-F122 HydrophobicContact CB-CE2 3.88Å; R83-F122 HydrophobicContact CG-CD2 3.95Å; R83-F122 HydrophobicContact CG-CE2 3.68Å; R120-F122 HydrophobicContact CB-CD2 4.34Å; R120-F122 HydrophobicContact CB-CE2 3.52Å; R120-F122 HydrophobicContact CB-CZ 4.02Å; F122-N127 WeakPolarHBondContact CD1-O 3.26Å; F122-R128 CarbonylContact C-O 3.52Å; F122-R128 WeakPolarHBondContact CA-O 3.07Å; F122-Q129 HydrophobicContact CD1-CB 4.16Å; F122-Q129 HydrophobicContact CE1-CB 3.97Å
123C87.9Confident77.9Confident1 Ų154.4 Ų54.41%0.00728%0.279CS..  trans-70132.2172.4177.70000110.5C71 C74 S125 C126 N127 R128 V130C71-C123 HydrophobicContact CB-CB 4.25Å; C71-C123 VanDerWaalsContact SG-SG 3.69Å; C74-C123 VanDerWaalsContact SG-SG 3.62Å; C123-S125 VanDerWaalsContact C-N 3.27Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 PolarHBondContact SG-N 3.05Å; C123-C126 WeakPolarHBondContact CB-SG 3.39Å; C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.31Å; C123-R128 PolarHBondContact N-O 3.44Å; C123-V130 HydrophobicContact CB-CG1 3.96Å
124P86.1Confident78.9Confident46 Ų4654 Ų5430%0.29928%0.282SS..THydrogen-bonded Turntrans-67.5-25.1179.427.8-35.8000113.7I79I79-P124 WeakPolarHBondContact O-CD 3.04Å; I79-P124 WeakPolarHBondContact O-CG 3.19Å
125S88.2Confident79.4Confident65 Ų6552.8 Ų52.846%0.45528%0.277SS..THydrogen-bonded Turntrans-90.5-45.8-175.2-450000112.6N76 C123N76-S125 VanDerWaalsContact CG-OG 3.24Å; N76-S125 PolarHBondContact ND2-OG 3.5Å; C123-S125 VanDerWaalsContact C-N 3.27Å; C123-S125 PolarHBondContact O-N 3.03Å; C123-S125 PolarHBondContact SG-N 3.05Å
126C88.9Confident79.5Confident41 Ų4160.3 Ų60.328%0.27731%0.309SS..THydrogen-bonded Turntrans-103.6-5.2-178.368.80000114C71 C74 C123 R128C71-C126 VanDerWaalsContact SG-SG 3.66Å; C74-C126 HydrophobicContact CB-CB 4.08Å; C123-C126 WeakPolarHBondContact CB-SG 3.39Å; C126-R128 HydrophobicContact CB-CG 4.48Å; C126-R128 PolarHBondContact O-N 3.43Å
127N86.3Confident80.6Confident95 Ų9560.1 Ų60.151%0.50831%0.305SS..  trans53.815.3-175.1-66.1-62.4000115F122 C123F122-N127 WeakPolarHBondContact CD1-O 3.26Å; C123-N127 WeakPolarHBondContact O-CA 3.35Å; C123-N127 PolarHBondContact O-N 3.31Å
128R85.9Confident81.4Confident141 Ų14161 Ų6153%0.53231%0.311SS..  trans-77.8146.5173.5-68.3-176.7-179.5-172.92110.9F73 F122 C123 C126 V130F73-R128 HydrophobicContact CD2-CB 3.87Å; F73-R128 HydrophobicContact CE2-CB 4.22Å; F73-R128 HydrophobicContact CG-CB 4.42Å; F122-R128 CarbonylContact C-O 3.52Å; F122-R128 WeakPolarHBondContact CA-O 3.07Å; C123-R128 PolarHBondContact N-O 3.44Å; C126-R128 HydrophobicContact CB-CG 4.48Å; C126-R128 PolarHBondContact O-N 3.43Å; R128-V130 PolarHBondContact O-N 3.48Å
129Q87.5Confident82Confident77 Ų7763.1 Ų63.136%0.3632%0.319SS..EExtended strand (participates in β ladder)trans-69126.9173.3-174.8175.5-17.100109.3F73 H121 F122F73-Q129 WeakPolarHBondContact CE2-O 3.35Å; H121-Q129 CarbonylContact O-C 3.58Å; H121-Q129 WeakPolarHBondContact O-CA 3.39Å; F122-Q129 HydrophobicContact CD1-CB 4.16Å; F122-Q129 HydrophobicContact CE1-CB 3.97Å
130V85Confident82.2Confident23 Ų2366.8 Ų66.814%0.13934%0.338CS..EExtended strand (participates in β ladder)trans-111.8-24.2-175.6-71.40000112.1Y62 I69 F73 T80 H121 C123 R128Y62-V130 HydrophobicContact CE1-CG2 4.36Å; Y62-V130 PolarHBondContact OH-O 3.01Å; Y62-V130 VanDerWaalsContact OH-O 3.05Å; I69-V130 HydrophobicContact CD1-CB 3.44Å; I69-V130 VanDerWaalsContact CD1-CB 3.44Å; I69-V130 HydrophobicContact CD1-CG1 3.61Å; I69-V130 HydrophobicContact CD1-CG2 3.39Å; F73-V130 HydrophobicContact CD2-CG1 4.45Å; T80-V130 HydrophobicContact CG2-CG2 3.66Å; H121-V130 HydrophobicContact CB-CG2 3.77Å; H121-V130 VanDerWaalsContact O-CG2 3.24Å; H121-V130 WeakPolarHBondContact O-CG2 3.11Å; H121-V130 PolarHBondContact O-N 3.08Å; C123-V130 HydrophobicContact CB-CG1 3.96Å; R128-V130 PolarHBondContact O-N 3.48Å
131G79.3Confident82Confident8 Ų865.9 Ų65.98%0.08234%0.34CS..EExtended strand (participates in β ladder)trans-156.7155.3179.600000112H121H121-G131 PolarHBondContact N-O 2.89Å; H121-G131 PolarHBondContact O-N 3.38Å
132Y82.3Confident81.8Confident115 Ų11570.3 Ų70.345%0.45136%0.363SS..EExtended strand (participates in β ladder)trans-131.7127.1172.7179-111.7000108.4S118 R120S118-Y132 WeakPolarHBondContact CB-OH 3.4Å; S118-Y132 PolarHBondContact OG-OH 3.21Å; R120-Y132 HydrophobicContact CG-CD2 3.93Å; R120-Y132 HydrophobicContact CG-CE2 4.25Å
133Y80.2Confident81.3Confident61 Ų6171.6 Ų71.624%0.23937%0.372CS..EExtended strand (participates in β ladder)trans-116.5113.5172.8174.5-102.3000108.3Y62 H63 R64 S118 A119 P135Y62-Y133 WeakPolarHBondContact O-CD2 3.46Å; H63-Y133 AromaticContact CE1-CZ 3.87Å; H63-Y133 PolarHBondContact CE1-OH 3.11Å; H63-Y133 AromaticContact ND1-CE1 3.84Å; H63-Y133 AromaticContact ND1-CE2 3.79Å; H63-Y133 AromaticContact ND1-CZ 3.47Å; R64-Y133 HydrophobicContact CG-CD1 4.39Å; R64-Y133 HydrophobicContact CG-CE1 4.04Å; S118-Y133 CarbonylContact C-O 3.59Å; S118-Y133 WeakPolarHBondContact CA-O 3.31Å; A119-Y133 HydrophobicContact CB-CD1 4.31Å; A119-Y133 PolarHBondContact N-O 3.3Å; A119-Y133 PolarHBondContact O-N 3.36Å; Y133-P135 HydrophobicContact CE1-CB 4.29Å
134S74.5Confident80.8Confident59 Ų5977 Ų7741%0.41340%0.4SS..  trans-106.6121.1166.2490000107.7
135P68.1Low80.4Confident29 Ų2979.6 Ų79.619%0.18841%0.409CS..  trans-67.9130.1165.634.2-37.5000107.6R64 T116 Y133R64-P135 VanDerWaalsContact NH2-CG 3.26Å; T116-P135 VanDerWaalsContact CA-CG 3.49Å; T116-P135 WeakPolarHBondContact O-CG 3.42Å; Y133-P135 HydrophobicContact CE1-CB 4.29Å
136L58.4Low79.7Confident241 Ų24180.9 Ų80.9100%1.26241%0.405SS*.  trans-65.50172.9-75.6162.6000111.4

Retrieved 136 of 136 residues in 23.5 ms (Link to these results)