A0A2K6B2Z9_MACNE Loading...

Double C2-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A2K6B2Z9, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene DOC2A, Length 400 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
1M39.6Very low37.9Very low240 Ų240174.5 Ų174.5100%1.18286%0.86SS**  0107.90-80.5173.8161.900107.9
2R35.3Very low37.9Very low251 Ų251171.6 Ų171.695%0.94785%0.85SS**  49.8107.1115.6-73.1-173.9172.9-152.4-0.8112.8
3G32.7Very low38.2Very low77 Ų77169.9 Ų169.979%0.79484%0.844SS**  100142.874.400000108.4
4R39Very low38.2Very low239 Ų239169.1 Ų169.190%0.90284%0.837SS**  cis-158.8136.618.8-80.9175.1170.5-178-3.9107.2
5R39Very low38.2Very low231 Ų231168.2 Ų168.287%0.87283%0.829SS**  51.6124.1101.9-68-168.5-164.7-177.43.6118.4
6G36.1Very low38.2Very low83 Ų83168.5 Ų168.586%0.85683%0.828SS**  trans-151.3111150.600000108.4
7D40.1Very low37.8Very low144 Ų144169.2 Ų169.277%0.7783%0.831SS**  trans-75.9147-161.6-90.9-42.9000116.1
8R42.7Very low37.9Very low228 Ų228165.4 Ų165.486%0.8683%0.832SS**  trans-82.3122.9156-87.2169.990.2168.65.2108.4T10R8-T10 PolarHBondContact O-N 3.12Å
9M35.3Very low38.2Very low170 Ų170164.5 Ų164.584%0.83783%0.827SS**  trans-82.193.9170.6-150.585.3163.600109.3I11M9-I11 HydrophobicContact CG-CG1 4.15Å
10T37.1Very low38.5Very low122 Ų122164.1 Ų164.175%0.74883%0.828SS**  trans-93.1108.9160.237.40000107.9R8 N12R8-T10 PolarHBondContact O-N 3.12Å; T10-N12 PolarHBondContact O-N 3.31Å
11I39.6Very low38.9Very low134 Ų134162 Ų16269%0.68782%0.823SS**  trans-85.7103.2173.3-60.3177000107.7M9 I13M9-I11 HydrophobicContact CG-CG1 4.15Å; I11-I13 HydrophobicContact CG2-CD1 4.42Å; I11-I13 HydrophobicContact CG2-CG1 3.86Å
12N38.4Very low39Very low140 Ų140155.7 Ų155.775%0.74980%0.801SS**  trans-75.9124.4163.8-174.49.8000107.8T10T10-N12 PolarHBondContact O-N 3.31Å
13I42.2Very low39.5Very low150 Ų150150 Ų15077%0.76980%0.797SS**  trans-110.894.2176.6-58.6176000107.3I11I11-I13 HydrophobicContact CG2-CD1 4.42Å; I11-I13 HydrophobicContact CG2-CG1 3.86Å
14Q37.2Very low40.9Very low158 Ų158148.9 Ų148.974%0.73879%0.786SS**  trans-122.9127.2155-98.3-177.5-27.500108.6
15E39.3Very low41.6Very low156 Ų156143.3 Ų143.373%0.72978%0.78SS**  trans76.5104.5155.3-58.5-178.8156.500119.5
16H36.8Very low42.4Very low173 Ų173140.4 Ų140.480%0.80178%0.78SS**  166.5127.1102.5-94.6-82.9000111
17M32.8Very low43.3Very low181 Ų181146.7 Ų146.789%0.89278%0.778SS**  trans167.972.7139-85.4-69.1-155.800106.7I19M17-I19 PolarHBondContact O-N 3.07Å
18A39.5Very low44.1Very low101 Ų101145.7 Ų145.784%0.83578%0.78SS**  trans-70.2109.4164.500000107.4N20A18-N20 PolarHBondContact O-N 3.18Å
19I42.8Very low45Very low147 Ų147142.8 Ų142.875%0.75478%0.779SS**  trans-74.1107.4165.8-59.9176.5000106M17 V21M17-I19 PolarHBondContact O-N 3.07Å; I19-V21 HydrophobicContact CG2-CG2 3.74Å; I19-V21 PolarHBondContact O-N 3.04Å
20N45.2Very low45.6Very low157 Ų157144.6 Ų144.684%0.8478%0.777SS**  trans-65.7107.4169.6-127.4-21.1000107.9A18A18-N20 PolarHBondContact O-N 3.18Å
21V45.3Very low46.7Very low120 Ų120146.2 Ų146.273%0.72778%0.776SS**  trans-116.6103166.8-161.60000106.9I19I19-V21 HydrophobicContact CG2-CG2 3.74Å; I19-V21 PolarHBondContact O-N 3.04Å
22C42.1Very low47.4Very low107 Ų107146.8 Ų146.872%0.72378%0.779SS**  trans-55.9132.9175.4-57.70000110G24C22-G24 VanDerWaalsContact C-N 3.35Å; C22-G24 PolarHBondContact O-N 3.03Å
23P46.9Very low48.1Very low133 Ų133143.9 Ų143.986%0.86477%0.77SS**  trans-75.791.8168.729.9-29.2000108.3
24G61.3Low48.5Very low53 Ų53141.6 Ų141.655%0.54676%0.759SS.*  trans-67.6154.5162.600000110.5C22 I26C22-G24 VanDerWaalsContact C-N 3.35Å; C22-G24 PolarHBondContact O-N 3.03Å; G24-I26 PolarHBondContact O-N 2.8Å
25P53.3Low49.2Very low122 Ų122144.3 Ų144.379%0.79276%0.764SS**  trans-62.9129.1-178.724.2-31.9000111.3R27P25-R27 PolarHBondContact O-N 3.03Å
26I57.2Low49.8Very low169 Ų169144.5 Ų144.587%0.86776%0.762SS**  trans-63.9115.4175.8-59.7168.9000108.2G24G24-I26 PolarHBondContact O-N 2.8Å
27R54Low50.2Low215 Ų215142.1 Ų142.181%0.81176%0.762SS**PPolyproline II helixtrans-82141.9170.6-66.4-175179.8-170.50109.5P25 I29P25-R27 PolarHBondContact O-N 3.03Å; R27-I29 PolarHBondContact O-N 2.99Å
28P57.5Low50.7Low124 Ų124145.1 Ų145.181%0.80576%0.764SS**PPolyproline II helixtrans-60.5136.1176.8-19.630.3000111.9R30P28-R30 PolarHBondContact O-N 2.66Å
29I61.8Low50.8Low166 Ų166152.2 Ų152.285%0.85177%0.769SS**PPolyproline II helixtrans-70.4123.9173-60.5170.7000108R27R27-I29 PolarHBondContact O-N 2.99Å
30R47.8Very low50.6Low209 Ų209148.3 Ų148.379%0.78977%0.765SS**PPolyproline II helixtrans-68137.9177.2-73.4-173.8170.5-176.7-4.5110.9P28P28-R30 PolarHBondContact O-N 2.66Å
31Q60.1Low50.4Low156 Ų156147.5 Ų147.573%0.72977%0.769SS**PPolyproline II helixtrans-73149.9176.1-70.1-150.7-2600111.5S33 D34Q31-S33 PolarHBondContact O-N 2.99Å; Q31-D34 PolarHBondContact O-N 3.33Å
32I54.1Low49.9Very low146 Ų146145.1 Ų145.175%0.74977%0.768SS**G310 helixtrans-57.9-14.2-177.7-65.5165.9000113D34 Y35I32-D34 PolarHBondContact O-N 2.84Å; I32-D34 VanDerWaalsContact O-N 3.15Å; I32-Y35 PolarHBondContact O-N 3.25Å
33S52.2Low50Low79 Ų79145.8 Ų145.855%0.55277%0.771SS**G310 helixtrans-62.9-14.2174.954.10000114.8Q31 Y35Q31-S33 PolarHBondContact O-N 2.99Å; S33-Y35 VanDerWaalsContact C-N 3.33Å
34D50.9Low49.3Very low101 Ų101148.9 Ų148.954%0.5477%0.774SS.*G310 helixtrans-82.1-5.8-178.1-68.2-12000113.9Q31 I32Q31-D34 PolarHBondContact O-N 3.33Å; I32-D34 PolarHBondContact O-N 2.84Å; I32-D34 VanDerWaalsContact O-N 3.15Å
35Y52.6Low48Very low216 Ų216150.2 Ų150.285%0.84779%0.788SS**G310 helixtrans-103.11.4-178.4-95.8-88.5000115.2I32 S33I32-Y35 PolarHBondContact O-N 3.25Å; S33-Y35 VanDerWaalsContact C-N 3.33Å
36F51.1Low46.9Very low159 Ų159148.6 Ų148.670%0.69779%0.793SS**SBendtrans-98.4124.6175.1-74.1-81.2000111.1R38F36-R38 PolarHBondContact O-N 3.09Å; F36-R38 VanDerWaalsContact O-N 3.12Å
37P45.3Very low45.6Very low123 Ų123144.5 Ų144.580%0.79979%0.793SS**  trans-62.2116.1174.7-17.228.7000110.2R39P37-R39 PolarHBondContact O-N 3.38Å; P37-R39 VanDerWaalsContact O-N 3.16Å
38R44.5Very low44.5Very low245 Ų245138.1 Ų138.193%0.92579%0.794SS**  trans-67109.8166.5-67.3-168.4-175-123.23.1108.2F36 G40F36-R38 PolarHBondContact O-N 3.09Å; F36-R38 VanDerWaalsContact O-N 3.12Å; R38-G40 PolarHBondContact O-N 2.79Å
39R41.7Very low43.2Very low249 Ų249136.3 Ų136.394%0.9480%0.798SS**PPolyproline II helixtrans-65.3117.5161.3-80.7-172174.2-160.5-0.7107.8P37P37-R39 PolarHBondContact O-N 3.38Å; P37-R39 VanDerWaalsContact O-N 3.16Å
40G37.6Very low41.6Very low66 Ų66131.9 Ų131.968%0.6879%0.793SS**PPolyproline II helixtrans-70.4163.317100000112.2R38R38-G40 PolarHBondContact O-N 2.79Å
41P41.8Very low40.8Very low140 Ų140131.6 Ų131.691%0.90980%0.801SS**PPolyproline II helixtrans-84.4146.2-170.834.1-32.2000112.3
42G33.2Very low39.3Very low69 Ų69128.4 Ų128.471%0.71180%0.801SS**  trans-117.9159.9165.700000110.7
43P44.2Very low39Very low121 Ų121126.4 Ų126.479%0.78680%0.798SS**  trans-98.4158.5-142.88.411.3000115.3
44E33.7Very low37.9Very low198 Ų198128.7 Ų128.793%0.92581%0.808SS**  trans59.6126.9143.9-63.4-170151.800121.6
45G32.9Very low37Very low81 Ų81131.9 Ų131.984%0.83582%0.82SS**  trans165.885.3162.800000111.3
46G30.2Very low35.9Very low88 Ų88128.7 Ų128.791%0.90782%0.816SS**  trans-72163.9-176.200000115.3
47G30.4Very low35Very low83 Ų83125.2 Ų125.286%0.85682%0.817SS**  trans162.787.3167.200000115.3
48G30.2Very low35.1Very low82 Ų82124.5 Ų124.585%0.84581%0.813SS**  trans53.6109.913700000122.3
49G30.4Very low34.3Very low86 Ų86121.5 Ų121.589%0.88781%0.814SS**  85.6123.211300000120.5
50G29.3Very low33.7Very low73 Ų73113.5 Ų113.575%0.75380%0.801SS**  trans110.7100.1135.600000118.8
51E30.4Very low33.3Very low203 Ų203118.8 Ų118.895%0.94981%0.813SS**  trans62130.9137.4-62.1-176.6146.600122.3
52A28.6Very low32.8Very low88 Ų88116.5 Ų116.573%0.72781%0.806SS**  trans-98.4-176.8155.500000108.5
53P47.7Very low33.2Very low105 Ų105118.9 Ų118.968%0.68281%0.809SS**  cis-141.3-166.5-1.526.9-0.1000113.9
54T29.7Very low33.1Very low126 Ų126118.9 Ų118.977%0.77381%0.809SS**  trans79.6150.1159.476.80000116.1
55H31.8Very low32.9Very low169 Ų169114 Ų11478%0.78280%0.802SS**  cis-160.9168.524.4-155.4-97.9000110.5
56L29.5Very low32.9Very low148 Ų148114.6 Ų114.678%0.77580%0.799SS**  trans-64.3141.9-175-80.4145.8000117.4
57A31.7Very low32.9Very low87 Ų87119 Ų11972%0.71980%0.801SS**  87.7178.912900000119.9
58P48.5Very low32.8Very low108 Ų108123.4 Ų123.470%0.70180%0.804SS**  -133.6152.3-98.537.6-19.4000114
59L27.8Very low32.7Very low181 Ų181123.2 Ų123.295%0.94880%0.802SS**  trans-178.6156.1162.8-90.6124.5000106.8
60A28.3Very low32.7Very low82 Ų82123.2 Ų123.268%0.67879%0.794SS**  cis-174.5165-15.800000105.9
61L28.8Very low32.6Very low176 Ų176125.8 Ų125.892%0.92180%0.795SS**  trans-52.9137.4175-72.2116.3000113.9
62A31.3Very low32.6Very low93 Ų93122.6 Ų122.677%0.76979%0.789SS**  170.4151.9116.200000112.3
63P42Very low33.2Very low119 Ų119123.8 Ų123.877%0.77379%0.79SS**  trans-89.3174.3-178.439.9-35.4000111.8
64P41.8Very low32.4Very low121 Ų121127.9 Ų127.979%0.78680%0.8SS**  -155.416096.437.1-16.8000117.5
65A28.8Very low32.6Very low94 Ų94129.7 Ų129.778%0.77781%0.805SS**  trans48120.4136.600000122.7
66A32.7Very low32.7Very low94 Ų94125 Ų12578%0.77780%0.802SS**  trans7.9131.3137.600000119.9
67L30.3Very low33.4Very low182 Ų182122.6 Ų122.695%0.95380%0.804SS**  trans-153.2145132.9-136.288.5000111.6
68L30.2Very low33.6Very low174 Ų174127 Ų12791%0.91181%0.809SS**  trans-75.9158.7-177.4-78.7146.1000114.2
69G27.6Very low33.4Very low78 Ų78129 Ų12980%0.80482%0.819SS**  trans101.5145.1151.600000115.3
70A29.9Very low33.8Very low86 Ų86126 Ų12671%0.71180%0.804SS**  cis-172.9145.2-9.300000106.5
71T27.6Very low34.3Very low128 Ų128127.3 Ų127.379%0.78581%0.808SS**  trans52.9122.3151.4610000121.9
72T31Very low34.9Very low135 Ų135128.1 Ų128.183%0.82880%0.8SS**  -174.9156.696.232.80000111.4
73P40.6Very low35.2Very low113 Ų113130.3 Ų130.373%0.73480%0.799SS**  trans-92.2158.3-168.537.5-31.4000112.3
74E31.1Very low35.8Very low191 Ų191129.1 Ų129.189%0.89379%0.794SS**  trans-176.6125133.4-101.2175.2-175.900112.1
75D34.2Very low36.1Very low165 Ų165130.2 Ų130.288%0.88279%0.793SS**  trans33.5125.8146.5-143.413.7000121.7
76G33.3Very low37.1Very low69 Ų69131.4 Ų131.471%0.71179%0.787SS**  trans166.861.217800000110.7E78G76-E78 VanDerWaalsContact C-N 3.35Å; G76-E78 PolarHBondContact O-N 2.75Å
77A43.4Very low37.9Very low99 Ų99130.3 Ų130.382%0.81878%0.778SS**  trans-63.893171.400000110.2
78E37.7Very low39.2Very low179 Ų179127.6 Ų127.684%0.83677%0.769SS**  trans-107119.9153-68.2-164.5164.700107.5G76 D80G76-E78 VanDerWaalsContact C-N 3.35Å; G76-E78 PolarHBondContact O-N 2.75Å; E78-D80 VanDerWaalsContact C-N 3.26Å; E78-D80 PolarHBondContact O-N 2.64Å
79V43.7Very low41.4Very low150 Ų150122.8 Ų122.891%0.90975%0.754SS**  trans-60.384179.5-106.90000109.4S81V79-S81 VanDerWaalsContact C-N 3.25Å; V79-S81 PolarHBondContact O-N 2.86Å
80D34.9Very low44.4Very low118 Ų118119.3 Ų119.363%0.63172%0.717SS**  trans-65.696.4152.7-80.9-25.7000106.2E78 Y82E78-D80 VanDerWaalsContact C-N 3.26Å; E78-D80 PolarHBondContact O-N 2.64Å; D80-Y82 HydrophobicContact CB-CD2 3.46Å; D80-Y82 VanDerWaalsContact CB-CD2 3.46Å; D80-Y82 HydrophobicContact CB-CE2 3.4Å; D80-Y82 PolarHBondContact O-N 3.46Å; D80-Y82 WeakPolarHBondContact OD2-CE2 3.32Å
81S39.4Very low47.4Very low110 Ų110115.5 Ų115.577%0.76969%0.686SS**  trans-64.877.4156.964.20000107.2V79 D83V79-S81 VanDerWaalsContact C-N 3.25Å; V79-S81 PolarHBondContact O-N 2.86Å; S81-D83 PolarHBondContact O-N 3.45Å
82Y42.1Very low50.6Low192 Ų192113 Ų11375%0.75367%0.666SS**  trans-61.286.5152.5-78-84.7000105.5D80 S84D80-Y82 HydrophobicContact CB-CD2 3.46Å; D80-Y82 VanDerWaalsContact CB-CD2 3.46Å; D80-Y82 HydrophobicContact CB-CE2 3.4Å; D80-Y82 PolarHBondContact O-N 3.46Å; D80-Y82 WeakPolarHBondContact OD2-CE2 3.32Å; Y82-S84 PolarHBondContact O-N 3.38Å
83D37.4Very low53.8Low139 Ų139106.5 Ų106.574%0.74363%0.627SS**  trans-70.769.6161.9-155.316.6000106.8S81 D85S81-D83 PolarHBondContact O-N 3.45Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.25Å; D83-D85 VanDerWaalsContact O-N 3.16Å
84S53.4Low56.6Low94 Ų94102.4 Ų102.466%0.65760%0.598SS**THydrogen-bonded Turntrans-69.396.5160.3-178.40000105.4Y82Y82-S84 PolarHBondContact O-N 3.38Å
85D49.6Very low59.8Low145 Ų14593.3 Ų93.378%0.77556%0.555SS**THydrogen-bonded Turntrans156.529.9142.3-73.7-2.9000114.6D83 A87D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.25Å; D83-D85 VanDerWaalsContact O-N 3.16Å; D85-A87 PolarHBondContact O-N 3.17Å
86D48.5Very low62.8Low119 Ų11986.2 Ų86.264%0.63652%0.518SS*.  trans-75.893.1165-163.239000110.2T88 K117D86-T88 PolarHBondContact O-N 3.16Å; D86-K117 IonicContact OD2-NZ 2.85Å; D86-K117 PolarHBondContact OD2-NZ 3.38Å
87A50Low65.9Low71 Ų7183 Ų8359%0.58748%0.484SS*.  trans-42.8132.7-172.400000114.4D85 A89D85-A87 PolarHBondContact O-N 3.17Å; A87-A89 PolarHBondContact O-N 3.34Å
88T58.4Low68.5Low125 Ų12580.4 Ų80.477%0.76746%0.456SS*.SBendtrans-56.41.5177.4-42.70000115.5D86 L90D86-T88 PolarHBondContact O-N 3.16Å; T88-L90 PolarHBondContact O-N 3.49Å
89A75.9Confident71.4Confident73 Ų7371.9 Ų71.960%0.60342%0.416SS*.  trans-88.5108.3-173.900000111.6A87 G91A87-A89 PolarHBondContact O-N 3.34Å; A89-G91 PolarHBondContact O-N 3.08Å
90L90.2Very high73.9Confident4 Ų467 Ų672%0.02139%0.385CS..  trans-77.20.9172.8-62.7174000113.7T88 K117 I191 L213 E214 R215T88-L90 PolarHBondContact O-N 3.49Å; L90-K117 HydrophobicContact CD2-CB 4.48Å; L90-K117 HydrophobicContact CD2-CD 4.06Å; L90-K117 PolarHBondContact O-N 2.85Å; L90-I191 VanDerWaalsContact CD1-O 3.26Å; L90-I191 WeakPolarHBondContact CD1-O 3.41Å; L90-I191 WeakPolarHBondContact CD2-O 3.41Å; L90-L213 HydrophobicContact CB-CB 3.78Å; L90-L213 HydrophobicContact CD1-CB 4.48Å; L90-E214 WeakPolarHBondContact CD1-O 3.39Å; L90-R215 HydrophobicContact CD1-CB 4.15Å; L90-R215 HydrophobicContact CD1-CG 3.5Å; L90-R215 VanDerWaalsContact CD1-N 3.25Å; L90-R215 HydrophobicContact CD2-CG 4.12Å; L90-R215 HydrophobicContact CG-CG 4.07Å
91G93.1Very high76.6Confident7 Ų768.3 Ų68.37%0.07238%0.381CS..  trans104175-172.100000113.1A89 K114 G115 L213A89-G91 PolarHBondContact O-N 3.08Å; G91-K114 CarbonylContact C-O 3.48Å; G91-K114 VanDerWaalsContact CA-O 3.3Å; G91-K114 WeakPolarHBondContact CA-O 3.36Å; G91-G115 WeakPolarHBondContact CA-O 3.25Å; G91-G115 PolarHBondContact N-O 3.29Å; G91-L213 WeakPolarHBondContact O-CB 3.49Å; G91-L213 PolarHBondContact O-N 2.88Å
92M95.7Very high79.1Confident74 Ų7467.7 Ų67.737%0.36538%0.382SS..EExtended strand (participates in β ladder)trans-115.3142.6176.6-64-172.8-66.400110.3A113 K114 I211M92-A113 CarbonylContact O-C 3.33Å; M92-A113 WeakPolarHBondContact O-CA 3.37Å; M92-A113 VanDerWaalsContact O-CB 3.29Å; M92-A113 WeakPolarHBondContact O-CB 3.26Å; M92-K114 PolarHBondContact N-O 3.34Å; M92-K114 PolarHBondContact O-N 3.06Å; M92-I211 WeakPolarHBondContact CA-O 3.45Å
93L97.6Very high81.4Confident0 Ų060.5 Ų60.50%036%0.36CS..EExtended strand (participates in β ladder)trans-115.6130.5174.8-176.369.8000110.4F95 I110 A113 V129 W156 I177 V179 I194 N210 I211 L213L93-F95 HydrophobicContact CD2-CD1 4.03Å; L93-F95 HydrophobicContact CD2-CE1 4.4Å; L93-F95 HydrophobicContact CG-CD1 3.97Å; L93-I110 HydrophobicContact CD1-CG2 4.46Å; L93-A113 HydrophobicContact CD1-CB 4.03Å; L93-V129 HydrophobicContact CD1-CG2 4.26Å; L93-W156 HydrophobicContact CD1-CH2 4.42Å; L93-W156 HydrophobicContact CD1-CZ3 3.74Å; L93-I177 HydrophobicContact CD2-CG2 3.46Å; L93-I177 VanDerWaalsContact CD2-CG2 3.46Å; L93-V179 HydrophobicContact CD1-CG2 4.19Å; L93-V179 HydrophobicContact CD2-CG2 4.07Å; L93-I194 HydrophobicContact CB-CD1 4.01Å; L93-I194 HydrophobicContact CD2-CD1 4.32Å; L93-N210 WeakPolarHBondContact O-CA 3.38Å; L93-I211 PolarHBondContact N-O 3.15Å; L93-I211 PolarHBondContact O-N 2.64Å; L93-L213 HydrophobicContact CB-CD2 4.01Å; L93-L213 HydrophobicContact CB-CG 4.41Å; L93-L213 HydrophobicContact CD2-CD2 4.48Å
94E98.4Very high84.1Confident26 Ų2655.2 Ų55.212%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-109.9124.9177.7-167.1179.5154.600110.1L111 R112 H208 F209 N210E94-L111 HydrophobicContact CG-CD1 4.2Å; E94-L111 WeakPolarHBondContact O-CB 3.36Å; E94-L111 PolarHBondContact O-N 3.4Å; E94-R112 HydrophobicContact CB-CG 4.03Å; E94-R112 VanDerWaalsContact CD-NH2 3.34Å; E94-R112 PolarHBondContact N-O 3.39Å; E94-R112 PolarHBondContact O-N 2.92Å; E94-R112 IonicContact OE1-CZ 3.79Å; E94-R112 IonicContact OE1-NE 3.75Å; E94-R112 IonicContact OE1-NH2 3.09Å; E94-R112 PolarHBondContact OE1-NH2 2.79Å; E94-R112 VanDerWaalsContact OE1-NH2 3.11Å; E94-R112 IonicContact OE2-CZ 3.82Å; E94-R112 IonicContact OE2-NE 2.6Å; E94-R112 PolarHBondContact OE2-NE 3.19Å; E94-R112 IonicContact OE2-NH2 3.2Å; E94-R112 PolarHBondContact OE2-NH2 2.78Å; E94-H208 VanDerWaalsContact CG-CE1 3.43Å; E94-H208 WeakPolarHBondContact CG-CE1 3.49Å; E94-H208 IonicContact OE1-CE1 2.8Å; E94-H208 PolarHBondContact OE1-CE1 2.76Å; E94-H208 IonicContact OE1-NE2 2.79Å; E94-F209 CarbonylContact C-O 3.52Å; E94-F209 VanDerWaalsContact CA-O 3.28Å; E94-F209 WeakPolarHBondContact CA-O 3.42Å; E94-N210 HydrophobicContact CG-CB 4.36Å
95F98.4Very high86.1Confident0 Ų051.2 Ų51.20%031%0.305CS..EExtended strand (participates in β ladder)trans-157156.7-176.263.2-83000112.1L93 L97 S109 I110 I177 I194 V196 F209L93-F95 HydrophobicContact CD2-CD1 4.03Å; L93-F95 HydrophobicContact CD2-CE1 4.4Å; L93-F95 HydrophobicContact CG-CD1 3.97Å; F95-L97 HydrophobicContact CD2-CD2 3.95Å; F95-L97 HydrophobicContact CD2-CG 3.93Å; F95-L97 HydrophobicContact CE2-CD1 3.96Å; F95-L97 HydrophobicContact CE2-CD2 4.17Å; F95-L97 HydrophobicContact CE2-CG 3.86Å; F95-S109 CarbonylContact C-O 3.49Å; F95-S109 WeakPolarHBondContact CA-O 3.35Å; F95-S109 WeakPolarHBondContact CB-O 3.47Å; F95-I110 HydrophobicContact CB-CD1 4.04Å; F95-I177 HydrophobicContact CD1-CD1 4.42Å; F95-I177 HydrophobicContact CD2-CD1 3.77Å; F95-I177 HydrophobicContact CE1-CD1 4.12Å; F95-I177 HydrophobicContact CE2-CD1 3.42Å; F95-I177 VanDerWaalsContact CE2-CD1 3.42Å; F95-I177 HydrophobicContact CG-CD1 4.26Å; F95-I177 HydrophobicContact CZ-CD1 3.61Å; F95-I194 HydrophobicContact CE1-CD1 4.25Å; F95-V196 HydrophobicContact CE2-CG2 4.22Å; F95-V196 HydrophobicContact CZ-CG2 3.94Å; F95-F209 HydrophobicContact CD1-CB 3.97Å; F95-F209 HydrophobicContact CD2-CB 4.06Å; F95-F209 AromaticContact CD2-CD2 3.9Å; F95-F209 HydrophobicContact CD2-CD2 3.9Å; F95-F209 HydrophobicContact CD2-CG 4.29Å; F95-F209 HydrophobicContact CE1-CB 3.57Å; F95-F209 HydrophobicContact CE1-CG 4.34Å; F95-F209 HydrophobicContact CE2-CB 3.65Å; F95-F209 HydrophobicContact CE2-CD1 4.5Å; F95-F209 AromaticContact CE2-CD2 3.41Å; F95-F209 HydrophobicContact CE2-CD2 3.41Å; F95-F209 VanDerWaalsContact CE2-CD2 3.41Å; F95-F209 HydrophobicContact CE2-CE2 4.13Å; F95-F209 AromaticContact CE2-CG 3.62Å; F95-F209 HydrophobicContact CE2-CG 3.62Å; F95-F209 HydrophobicContact CG-CB 4.21Å; F95-F209 HydrophobicContact CZ-CB 3.4Å; F95-F209 HydrophobicContact CZ-CD1 4.3Å; F95-F209 AromaticContact CZ-CD2 3.97Å; F95-F209 HydrophobicContact CZ-CD2 3.97Å; F95-F209 AromaticContact CZ-CG 3.65Å; F95-F209 HydrophobicContact CZ-CG 3.65Å; F95-F209 PolarHBondContact N-O 2.95Å; F95-F209 PolarHBondContact O-N 3.25Å
96D98.4Very high88.4Confident17 Ų1744.3 Ų44.39%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-112.2144.5170.9-57.9-32.5000111S109 K206 K207 H208D96-S109 PolarHBondContact N-O 3.17Å; D96-S109 PolarHBondContact O-N 2.76Å; D96-K206 HydrophobicContact CB-CD 3.97Å; D96-K206 HydrophobicContact CB-CG 3.92Å; D96-K206 WeakPolarHBondContact OD2-CD 3.14Å; D96-K206 WeakPolarHBondContact OD2-CE 3.34Å; D96-K206 IonicContact OD2-NZ 3.79Å; D96-K206 PolarHBondContact OD2-NZ 3Å; D96-K207 WeakPolarHBondContact CA-O 3Å; D96-H208 WeakPolarHBondContact OD1-CA 3.36Å; D96-H208 IonicContact OD1-CE1 3.83Å; D96-H208 IonicContact OD1-CG 2.95Å; D96-H208 IonicContact OD1-ND1 3.53Å; D96-H208 PolarHBondContact OD1-ND1 2.95Å
97L98.2Very high90.7Very high0 Ų041.4 Ų41.40%025%0.251CS..EExtended strand (participates in β ladder)trans-119.4136.4167.8-55.8-179.7000110.4F95 H107 C108 L175 V196 L201 K207 F209F95-L97 HydrophobicContact CD2-CD2 3.95Å; F95-L97 HydrophobicContact CD2-CG 3.93Å; F95-L97 HydrophobicContact CE2-CD1 3.96Å; F95-L97 HydrophobicContact CE2-CD2 4.17Å; F95-L97 HydrophobicContact CE2-CG 3.86Å; L97-H107 WeakPolarHBondContact CA-O 3.24Å; L97-C108 HydrophobicContact CD2-CB 3.95Å; L97-L175 HydrophobicContact CD1-CD2 3.94Å; L97-L175 HydrophobicContact CD2-CD2 3.55Å; L97-L175 HydrophobicContact CG-CD2 4.44Å; L97-V196 HydrophobicContact CD1-CB 4.3Å; L97-V196 HydrophobicContact CD1-CG1 3.93Å; L97-L201 HydrophobicContact CB-CD1 3.99Å; L97-L201 HydrophobicContact CB-CD2 3.8Å; L97-L201 HydrophobicContact CD1-CD1 4.26Å; L97-L201 HydrophobicContact CD1-CD2 4.13Å; L97-K207 PolarHBondContact N-O 2.76Å; L97-K207 PolarHBondContact O-N 2.74Å; L97-F209 HydrophobicContact CB-CE2 4.02Å; L97-F209 HydrophobicContact CD1-CD2 4.35Å; L97-F209 HydrophobicContact CD1-CE2 3.7Å; L97-F209 HydrophobicContact CD1-CZ 4.24Å; L97-F209 HydrophobicContact CG-CD2 4.15Å; L97-F209 HydrophobicContact CG-CE2 3.78Å
98L97.8Very high93Very high45 Ų4538 Ų3824%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-137.3117174.5170.566.9000109.4H107 K206L98-H107 HydrophobicContact CB-CB 4.26Å; L98-H107 PolarHBondContact N-O 2.66Å; L98-H107 PolarHBondContact O-N 2.91Å; L98-K206 HydrophobicContact CB-CB 4.43Å; L98-K206 HydrophobicContact CD1-CB 4.38Å
99Y97.4Very high94.9Very high1 Ų132.5 Ų32.50%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-91117.2169.7173.5-126.3000109.6R101 T105 I165 D167 I170 P203 S204Y99-R101 HydrophobicContact CE1-CB 3.82Å; Y99-R101 HydrophobicContact CE1-CG 4.21Å; Y99-T105 WeakPolarHBondContact CD2-O 3.47Å; Y99-I165 HydrophobicContact CD2-CG2 4.31Å; Y99-I165 HydrophobicContact CE2-CB 4.39Å; Y99-I165 HydrophobicContact CE2-CG2 4.05Å; Y99-I165 WeakPolarHBondContact CE2-O 3.34Å; Y99-I165 PolarHBondContact OH-O 2.79Å; Y99-D167 PolarHBondContact OH-N 3.17Å; Y99-D167 PolarHBondContact OH-OD1 2.86Å; Y99-I170 HydrophobicContact CD1-CD1 3.98Å; Y99-I170 HydrophobicContact CD1-CG1 3.68Å; Y99-I170 HydrophobicContact CD2-CD1 3.57Å; Y99-I170 HydrophobicContact CD2-CG1 3.8Å; Y99-I170 HydrophobicContact CE1-CD1 4.37Å; Y99-I170 HydrophobicContact CE1-CG1 3.62Å; Y99-I170 HydrophobicContact CE2-CD1 4Å; Y99-I170 HydrophobicContact CE2-CG1 3.75Å; Y99-I170 HydrophobicContact CG-CD1 3.56Å; Y99-I170 HydrophobicContact CG-CG1 3.76Å; Y99-P203 HydrophobicContact CD1-CB 4.16Å; Y99-P203 HydrophobicContact CD1-CG 4.07Å; Y99-P203 HydrophobicContact CE1-CB 4.46Å; Y99-P203 HydrophobicContact CE1-CG 4.23Å; Y99-S204 PolarHBondContact O-N 3.06Å
100D96.1Very high96Very high47 Ų4729 Ų2925%0.25116%0.161SC..EExtended strand (participates in β ladder)trans-99.8112.1168.9-174.8-4.7000109.7A102 S103 C104 T105D100-A102 PolarHBondContact OD1-N 3.33Å; D100-S103 VanDerWaalsContact CB-OG 3.26Å; D100-S103 WeakPolarHBondContact CB-OG 3.38Å; D100-S103 PolarHBondContact O-OG 2.68Å; D100-S103 PolarHBondContact OD2-OG 3.4Å; D100-C104 CarbonylContact O-C 3.47Å; D100-C104 WeakPolarHBondContact O-CA 3.3Å; D100-C104 PolarHBondContact O-N 2.82Å; D100-C104 VanDerWaalsContact O-N 3.11Å; D100-T105 PolarHBondContact N-O 2.84Å; D100-T105 PolarHBondContact O-N 2.76Å
101R93.3Very high96.4Very high146 Ų14630.5 Ų30.555%0.55117%0.168SC*.THydrogen-bonded Turntrans-72.7-31.3-179-173.2-178.4-171.8-154.10.2112.4Y99 D167 P203Y99-R101 HydrophobicContact CE1-CB 3.82Å; Y99-R101 HydrophobicContact CE1-CG 4.21Å; R101-D167 IonicContact CZ-OD2 3.12Å; R101-D167 IonicContact NE-OD1 2.64Å; R101-D167 PolarHBondContact NE-OD1 3.27Å; R101-D167 IonicContact NE-OD2 2.68Å; R101-D167 PolarHBondContact NE-OD2 3.33Å; R101-D167 IonicContact NH2-OD2 2.7Å; R101-D167 PolarHBondContact NH2-OD2 2.88Å; R101-P203 HydrophobicContact CB-CB 4.19Å
102A91.1Very high96.6Very high96 Ų9634.5 Ų34.579%0.79318%0.181SC*.THydrogen-bonded Turntrans-73.3-39.8-174.900000111.5D100D100-A102 PolarHBondContact OD1-N 3.33Å
103S90.5Very high96.7Very high42 Ų4231.1 Ų31.129%0.29417%0.165SC..THydrogen-bonded Turntrans-88.5-9.3176.459.60000113.6D100 T105D100-S103 VanDerWaalsContact CB-OG 3.26Å; D100-S103 WeakPolarHBondContact CB-OG 3.38Å; D100-S103 PolarHBondContact O-OG 2.68Å; D100-S103 PolarHBondContact OD2-OG 3.4Å; S103-T105 VanDerWaalsContact C-N 3.34Å; S103-T105 PolarHBondContact OG-N 3.37Å; S103-T105 PolarHBondContact OG-OG1 3.49Å
104C94.4Very high96.7Very high27 Ų2735.6 Ų35.618%0.18219%0.185CC..THydrogen-bonded Turntrans52.749.4-168.1-59.60000111.8D100 G164 I165D100-C104 CarbonylContact O-C 3.47Å; D100-C104 WeakPolarHBondContact O-CA 3.3Å; D100-C104 PolarHBondContact O-N 2.82Å; D100-C104 VanDerWaalsContact O-N 3.11Å; C104-G164 CarbonylContact O-C 3.48Å; C104-G164 WeakPolarHBondContact O-CA 3.44Å; C104-G164 PolarHBondContact O-N 3.01Å; C104-I165 CarbonylContact C-O 3.58Å; C104-I165 VanDerWaalsContact CA-O 3.3Å; C104-I165 WeakPolarHBondContact CA-O 3.4Å; C104-I165 VanDerWaalsContact CB-O 3.28Å; C104-I165 WeakPolarHBondContact CB-O 3.4Å; C104-I165 PolarHBondContact O-N 3.42Å
105T95.4Very high96.5Very high10 Ų1036.5 Ų36.56%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-120.1143.9179.457.70000112.4Y99 D100 S103 H107 T161 Y162Y99-T105 WeakPolarHBondContact CD2-O 3.47Å; D100-T105 PolarHBondContact N-O 2.84Å; D100-T105 PolarHBondContact O-N 2.76Å; S103-T105 VanDerWaalsContact C-N 3.34Å; S103-T105 PolarHBondContact OG-N 3.37Å; S103-T105 PolarHBondContact OG-OG1 3.49Å; T105-H107 PolarHBondContact OG1-NE2 2.99Å; T105-T161 HydrophobicContact CG2-CG2 4.24Å; T105-Y162 CarbonylContact C-O 3.5Å; T105-Y162 VanDerWaalsContact CA-O 3.26Å; T105-Y162 WeakPolarHBondContact CA-O 3.42Å
106L97.3Very high96.2Very high0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-111.7112.1166.9175.768.9000108.2L133 T161 Y162 I165 L198 L201L106-L133 HydrophobicContact CD2-CD2 4.27Å; L106-T161 WeakPolarHBondContact O-CA 3.31Å; L106-Y162 HydrophobicContact CD2-CD2 4.22Å; L106-Y162 PolarHBondContact N-O 3.32Å; L106-Y162 PolarHBondContact O-N 3.15Å; L106-I165 HydrophobicContact CB-CB 4.41Å; L106-I165 HydrophobicContact CB-CG1 3.98Å; L106-I165 HydrophobicContact CB-CG2 4.39Å; L106-L198 HydrophobicContact CD2-CD1 4.09Å; L106-L198 HydrophobicContact CD2-CD2 3.83Å; L106-L201 HydrophobicContact CD1-CD1 3.63Å
107H97.8Very high95.9Very high58 Ų5838.8 Ų38.827%0.26921%0.21SC..EExtended strand (participates in β ladder)trans-89.6126174.6-58.7-76000109.8L97 L98 T105 T161L97-H107 WeakPolarHBondContact CA-O 3.24Å; L98-H107 HydrophobicContact CB-CB 4.26Å; L98-H107 PolarHBondContact N-O 2.66Å; L98-H107 PolarHBondContact O-N 2.91Å; T105-H107 PolarHBondContact OG1-NE2 2.99Å; H107-T161 PolarHBondContact ND1-OG1 3.49Å; H107-T161 VanDerWaalsContact ND1-OG1 3.12Å
108C98.1Very high95.5Very high0 Ų041.8 Ų41.80%023%0.23CC..EExtended strand (participates in β ladder)trans-117.598.3176.9-54.70000108.7L97 I110 L131 L160L97-C108 HydrophobicContact CD2-CB 3.95Å; C108-I110 PolarHBondContact O-N 3.17Å; C108-L131 HydrophobicContact CB-CD1 3.6Å; C108-L160 WeakPolarHBondContact CA-O 3.48Å; C108-L160 HydrophobicContact CB-CB 4.4Å; C108-L160 VanDerWaalsContact CB-O 3.28Å; C108-L160 WeakPolarHBondContact CB-O 3.2Å; C108-L160 PolarHBondContact N-O 3.19Å; C108-L160 PolarHBondContact O-N 2.79Å
109S98.4Very high95Very high9 Ų941.7 Ų41.76%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-87103177.1-54.40000109.5F95 D96 L111 D159F95-S109 CarbonylContact C-O 3.49Å; F95-S109 WeakPolarHBondContact CA-O 3.35Å; F95-S109 WeakPolarHBondContact CB-O 3.47Å; D96-S109 PolarHBondContact N-O 3.17Å; D96-S109 PolarHBondContact O-N 2.76Å; S109-L111 PolarHBondContact O-N 3.16Å; S109-D159 WeakPolarHBondContact CA-OD1 3.46Å; S109-D159 WeakPolarHBondContact CB-OD1 3.47Å; S109-D159 PolarHBondContact OG-OD1 3.23Å
110I98.4Very high94.4Very high0 Ų043.3 Ų43.30%024%0.237CC..EExtended strand (participates in β ladder)trans-86.7108177.9-51.4-53.8000108.4L93 F95 C108 V129 L131 T145 W156 N157 E158 L160L93-I110 HydrophobicContact CD1-CG2 4.46Å; F95-I110 HydrophobicContact CB-CD1 4.04Å; C108-I110 PolarHBondContact O-N 3.17Å; I110-V129 HydrophobicContact CD1-CG1 4.46Å; I110-V129 HydrophobicContact CG2-CB 4.11Å; I110-V129 HydrophobicContact CG2-CG1 4.36Å; I110-V129 HydrophobicContact CG2-CG2 3.72Å; I110-L131 HydrophobicContact CD1-CD1 4.49Å; I110-L131 HydrophobicContact CD1-CD2 4.16Å; I110-T145 HydrophobicContact CB-CG2 3.97Å; I110-T145 HydrophobicContact CG1-CG2 4.01Å; I110-T145 HydrophobicContact CG2-CG2 4.06Å; I110-W156 HydrophobicContact CG2-CB 4.49Å; I110-W156 HydrophobicContact CG2-CD2 4.28Å; I110-W156 HydrophobicContact CG2-CE3 3.8Å; I110-W156 HydrophobicContact CG2-CZ3 4.37Å; I110-N157 CarbonylContact O-C 3.39Å; I110-N157 VanDerWaalsContact O-CA 3.3Å; I110-N157 WeakPolarHBondContact O-CA 3.22Å; I110-N157 PolarHBondContact O-N 3.22Å; I110-E158 PolarHBondContact N-O 3.44Å; I110-E158 PolarHBondContact O-N 3.24Å; I110-L160 HydrophobicContact CG1-CD1 4.24Å
111L98.4Very high93.9Very high35 Ų3551.4 Ų51.418%0.18327%0.27CS..EExtended strand (participates in β ladder)trans-88.6-66.7-169.3-56.3177.2000110.8E94 S109 W156 N157E94-L111 HydrophobicContact CG-CD1 4.2Å; E94-L111 WeakPolarHBondContact O-CB 3.36Å; E94-L111 PolarHBondContact O-N 3.4Å; S109-L111 PolarHBondContact O-N 3.16Å; L111-W156 PolarHBondContact O-N 3.28Å; L111-N157 PolarHBondContact O-N 3.08Å; L111-N157 PolarHBondContact O-OD1 3.04Å
112R98.2Very high93.5Very high92 Ų9248.5 Ų48.535%0.34727%0.266SS..EExtended strand (participates in β ladder)trans-161.9163.5-175.560.8-179177.2-138.8-13111.9E94 P154 V155E94-R112 HydrophobicContact CB-CG 4.03Å; E94-R112 VanDerWaalsContact CD-NH2 3.34Å; E94-R112 PolarHBondContact N-O 3.39Å; E94-R112 PolarHBondContact O-N 2.92Å; E94-R112 IonicContact OE1-CZ 3.79Å; E94-R112 IonicContact OE1-NE 3.75Å; E94-R112 IonicContact OE1-NH2 3.09Å; E94-R112 PolarHBondContact OE1-NH2 2.79Å; E94-R112 VanDerWaalsContact OE1-NH2 3.11Å; E94-R112 IonicContact OE2-CZ 3.82Å; E94-R112 IonicContact OE2-NE 2.6Å; E94-R112 PolarHBondContact OE2-NE 3.19Å; E94-R112 IonicContact OE2-NH2 3.2Å; E94-R112 PolarHBondContact OE2-NH2 2.78Å; R112-P154 CarbonylContact C-O 3.21Å; R112-P154 WeakPolarHBondContact CA-O 3.46Å; R112-P154 WeakPolarHBondContact CB-O 3.2Å; R112-V155 HydrophobicContact CB-CB 4.36Å; R112-V155 HydrophobicContact CB-CG1 4.48Å; R112-V155 HydrophobicContact CB-CG2 4Å
113A97.8Very high93.3Very high2 Ų245.7 Ų45.72%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-120.4160163.500000110.8M92 L93 L116 N153 P154 W156M92-A113 CarbonylContact O-C 3.33Å; M92-A113 WeakPolarHBondContact O-CA 3.37Å; M92-A113 VanDerWaalsContact O-CB 3.29Å; M92-A113 WeakPolarHBondContact O-CB 3.26Å; L93-A113 HydrophobicContact CD1-CB 4.03Å; A113-L116 HydrophobicContact CB-CD1 4Å; A113-L116 HydrophobicContact CB-CD2 3.71Å; A113-L116 HydrophobicContact CB-CG 3.88Å; A113-N153 CarbonylContact O-C 3.45Å; A113-N153 VanDerWaalsContact O-CA 3.29Å; A113-N153 WeakPolarHBondContact O-CA 3.37Å; A113-P154 HydrophobicContact CB-CG 3.85Å; A113-P154 PolarHBondContact N-O 2.76Å; A113-W156 HydrophobicContact CB-CH2 3.89Å; A113-W156 HydrophobicContact CB-CZ3 3.73Å
114K95.9Very high93.3Very high95 Ų9546.4 Ų46.441%0.41325%0.247SC..EExtended strand (participates in β ladder)trans-135.7139.7177.8-68.5-177.6179.7175.30111.1G91 M92 L116 N153G91-K114 CarbonylContact C-O 3.48Å; G91-K114 VanDerWaalsContact CA-O 3.3Å; G91-K114 WeakPolarHBondContact CA-O 3.36Å; M92-K114 PolarHBondContact N-O 3.34Å; M92-K114 PolarHBondContact O-N 3.06Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.88Å; K114-N153 VanDerWaalsContact CA-OD1 3.31Å; K114-N153 WeakPolarHBondContact CA-OD1 3.41Å
115G94.3Very high93.1Very high45 Ų4545.1 Ų45.146%0.46424%0.238SC..SBendtrans58.440.8175.700000113G91 L152 N153G91-G115 WeakPolarHBondContact CA-O 3.25Å; G91-G115 PolarHBondContact N-O 3.29Å; G115-L152 PolarHBondContact N-O 3.41Å; G115-N153 PolarHBondContact N-OD1 2.77Å
116L94.1Very high93.1Very high4 Ų445.8 Ų45.82%0.02124%0.241CC..PPolyproline II helixtrans-60151175-65.8-178.7000110.8A113 K114 P127 L152 P154 V179 I191 L213A113-L116 HydrophobicContact CB-CD1 4Å; A113-L116 HydrophobicContact CB-CD2 3.71Å; A113-L116 HydrophobicContact CB-CG 3.88Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 2.88Å; L116-P127 HydrophobicContact CD1-CB 3.54Å; L116-P127 HydrophobicContact CD1-CG 3.81Å; L116-L152 HydrophobicContact CB-CB 4.38Å; L116-L152 HydrophobicContact CB-CD2 4.47Å; L116-L152 PolarHBondContact N-O 3.37Å; L116-L152 WeakPolarHBondContact O-CD2 3.15Å; L116-P154 HydrophobicContact CD1-CG 3.7Å; L116-V179 HydrophobicContact CD1-CG1 4.09Å; L116-V179 HydrophobicContact CD2-CG1 4.18Å; L116-I191 HydrophobicContact CD1-CD1 4.42Å; L116-I191 HydrophobicContact CD2-CG2 4.32Å; L116-L213 HydrophobicContact CD2-CD1 3.49Å; L116-L213 VanDerWaalsContact CD2-CD1 3.49Å
117K90.5Very high93Very high60 Ų6045.8 Ų45.826%0.26124%0.241SC..PPolyproline II helixtrans-63.3130.4173.1-171179.8175.3700109.7D86 L90 M119 I191D86-K117 IonicContact OD2-NZ 2.85Å; D86-K117 PolarHBondContact OD2-NZ 3.38Å; L90-K117 HydrophobicContact CD2-CB 4.48Å; L90-K117 HydrophobicContact CD2-CD 4.06Å; L90-K117 PolarHBondContact O-N 2.85Å; K117-M119 HydrophobicContact CD-SD 4.41Å; K117-M119 PolarHBondContact O-N 3.47Å; K117-I191 HydrophobicContact CB-CG2 4.3Å
118P90.4Very high92.9Very high64 Ų6443.4 Ų43.442%0.41623%0.23SC..PPolyproline II helixtrans-57.7133.6167.4-2332.9000111.5L152P118-L152 HydrophobicContact CB-CD2 4.44Å; P118-L152 HydrophobicContact CG-CD1 3.85Å; P118-L152 HydrophobicContact CG-CD2 4.32Å
119M87.2Confident92.8Very high43 Ų4343.4 Ų43.421%0.21223%0.23CC..  trans-121.7-28.7-179.2-65.3-58-67.300112.1K117 L124 A125 D181 N188 I191K117-M119 HydrophobicContact CD-SD 4.41Å; K117-M119 PolarHBondContact O-N 3.47Å; M119-L124 PolarHBondContact N-O 3.49Å; M119-A125 HydrophobicContact CB-CB 4.32Å; M119-D181 HydrophobicContact CB-CB 4.06Å; M119-D181 WeakPolarHBondContact CB-OD2 3.37Å; M119-D181 HydrophobicContact CG-CB 4.1Å; M119-N188 WeakPolarHBondContact CE-O 2.95Å; M119-I191 HydrophobicContact CG-CD1 4.11Å; M119-I191 HydrophobicContact CG-CG1 3.66Å; M119-I191 HydrophobicContact SD-CG1 4.23Å
120D85.4Confident92.6Very high34 Ų3444.4 Ų44.418%0.18223%0.233CC..SBendtrans-87.9156.2179-74.7-48.2000113N122 G123 L124 A125D120-N122 WeakPolarHBondContact CB-OD1 3.29Å; D120-N122 PolarHBondContact O-N 2.8Å; D120-N122 VanDerWaalsContact O-N 3.11Å; D120-G123 PolarHBondContact O-N 3.02Å; D120-L124 WeakPolarHBondContact CB-O 3.41Å; D120-L124 PolarHBondContact N-O 3.12Å; D120-A125 WeakPolarHBondContact OD2-CA 3.39Å
121F84.9Confident92.5Very high217 Ų21744.4 Ų44.495%0.95223%0.233SC*.THydrogen-bonded Turntrans-59.7-22.3173.9-64-75.1000114.2G123F121-G123 PolarHBondContact O-N 3.22Å
122N85.6Confident92.1Very high85 Ų8544.2 Ų44.246%0.45523%0.231SC..THydrogen-bonded Turntrans-79.31.7176.566.46.4000112.8D120 L124 N150D120-N122 WeakPolarHBondContact CB-OD1 3.29Å; D120-N122 PolarHBondContact O-N 2.8Å; D120-N122 VanDerWaalsContact O-N 3.11Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 WeakPolarHBondContact OD1-CA 3.34Å; N122-L124 VanDerWaalsContact OD1-CB 3.3Å; N122-L124 WeakPolarHBondContact OD1-CB 3.43Å; N122-L124 PolarHBondContact OD1-N 2.82Å; N122-N150 PolarHBondContact ND2-OD1 2.86Å
123G86.3Confident91.7Very high37 Ų3739.9 Ų39.938%0.38122%0.215SC..SBendtrans76.115.6-176.900000114D120 F121D120-G123 PolarHBondContact O-N 3.02Å; F121-G123 PolarHBondContact O-N 3.22Å
124L90.6Very high91Very high58 Ų5841.6 Ų41.630%0.30422%0.223SC..  trans-120-161.7177.1-57.9170.4000110M119 D120 N122 N150 L152M119-L124 PolarHBondContact N-O 3.49Å; D120-L124 WeakPolarHBondContact CB-O 3.41Å; D120-L124 PolarHBondContact N-O 3.12Å; N122-L124 VanDerWaalsContact C-N 3.3Å; N122-L124 WeakPolarHBondContact OD1-CA 3.34Å; N122-L124 VanDerWaalsContact OD1-CB 3.3Å; N122-L124 WeakPolarHBondContact OD1-CB 3.43Å; N122-L124 PolarHBondContact OD1-N 2.82Å; L124-N150 HydrophobicContact CD1-CB 3.84Å; L124-L152 HydrophobicContact CD2-CG 4.17Å
125A91.2Very high90.2Very high0 Ų040 Ų400%022%0.223CC..  trans-153.1161.317400000108.8M119 D120 P127 N150 T151 L152 D181 I191M119-A125 HydrophobicContact CB-CB 4.32Å; D120-A125 WeakPolarHBondContact OD2-CA 3.39Å; A125-P127 WeakPolarHBondContact O-CD 3.46Å; A125-N150 CarbonylContact O-C 3.46Å; A125-N150 VanDerWaalsContact O-CA 3.25Å; A125-N150 WeakPolarHBondContact O-CA 3.48Å; A125-N150 PolarHBondContact O-N 2.76Å; A125-T151 PolarHBondContact O-N 2.75Å; A125-L152 HydrophobicContact CB-CD2 4.05Å; A125-D181 WeakPolarHBondContact CB-OD1 3.4Å; A125-I191 HydrophobicContact CB-CD1 4.38Å
126D93.4Very high89Confident23 Ų2339.5 Ų39.512%0.12322%0.218CC..  trans-105.167.6166.4-74.1-13.5000110.8T147 Q148 R149 N150 D181 E182D126-T147 HydrophobicContact CB-CG2 3.93Å; D126-T147 WeakPolarHBondContact O-CG2 3.28Å; D126-Q148 CarbonylContact C-O 3.48Å; D126-Q148 WeakPolarHBondContact CA-O 3.41Å; D126-R149 WeakPolarHBondContact OD1-CA 3.23Å; D126-R149 WeakPolarHBondContact OD1-CB 3.14Å; D126-N150 PolarHBondContact OD1-N 2.83Å; D126-D181 VanDerWaalsContact C-OD1 3.27Å; D126-D181 VanDerWaalsContact CA-OD1 3.31Å; D126-D181 WeakPolarHBondContact CA-OD1 3.26Å; D126-D181 PolarHBondContact N-OD1 2.83Å; D126-E182 HydrophobicContact CB-CB 4.21Å; D126-E182 PolarHBondContact O-N 2.84Å
127P95.2Very high87.5Confident0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-74.6146-168.831.5-41.6000115.1L116 A125 Q148 T151 P154 W156 V179 C180 I191L116-P127 HydrophobicContact CD1-CB 3.54Å; L116-P127 HydrophobicContact CD1-CG 3.81Å; A125-P127 WeakPolarHBondContact O-CD 3.46Å; P127-Q148 WeakPolarHBondContact CD-O 3.28Å; P127-Q148 VanDerWaalsContact N-O 3.12Å; P127-Q148 PolarHBondContact O-N 3.04Å; P127-T151 VanDerWaalsContact CD-O 3.3Å; P127-T151 WeakPolarHBondContact CD-O 3.38Å; P127-T151 HydrophobicContact CG-CG2 4.15Å; P127-T151 WeakPolarHBondContact CG-O 3.46Å; P127-P154 HydrophobicContact CB-CG 4.15Å; P127-P154 HydrophobicContact CG-CB 3.7Å; P127-P154 HydrophobicContact CG-CG 3.54Å; P127-W156 HydrophobicContact CB-CH2 4.48Å; P127-W156 HydrophobicContact CB-CZ2 3.98Å; P127-W156 HydrophobicContact CG-CZ2 4.31Å; P127-W156 PolarHBondContact O-NE1 3.04Å; P127-V179 HydrophobicContact CB-CG1 4.34Å; P127-C180 CarbonylContact C-O 3.53Å; P127-C180 VanDerWaalsContact CA-O 3.25Å; P127-C180 WeakPolarHBondContact CA-O 3.37Å; P127-I191 HydrophobicContact CB-CD1 4.29Å
128Y96.4Very high86.6Confident8 Ų840.9 Ų40.93%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-145.4161.9167.667.2-86.8000111.2K130 K144 T147 C180 E182 E189Y128-K130 HydrophobicContact CD2-CG 4.03Å; Y128-K130 HydrophobicContact CE2-CD 3.8Å; Y128-K130 VanDerWaalsContact CE2-CE 3.44Å; Y128-K130 HydrophobicContact CE2-CG 3.49Å; Y128-K130 VanDerWaalsContact CE2-CG 3.49Å; Y128-K130 WeakPolarHBondContact OH-CE 3.21Å; Y128-K130 PolarHBondContact OH-NZ 2.77Å; Y128-K144 HydrophobicContact CD2-CD 3.4Å; Y128-K144 VanDerWaalsContact CD2-CD 3.4Å; Y128-K144 HydrophobicContact CD2-CG 3.74Å; Y128-K144 HydrophobicContact CE2-CD 3.45Å; Y128-K144 VanDerWaalsContact CE2-CD 3.45Å; Y128-K144 VanDerWaalsContact CE2-CE 3.44Å; Y128-K144 HydrophobicContact CE2-CG 4.19Å; Y128-K144 VanDerWaalsContact CE2-NZ 3.31Å; Y128-K144 HydrophobicContact CG-CD 4.24Å; Y128-K144 VanDerWaalsContact CG-CE 3.46Å; Y128-T147 HydrophobicContact CD1-CG2 4.49Å; Y128-C180 HydrophobicContact CD1-CB 4.25Å; Y128-C180 WeakPolarHBondContact CD1-O 3.45Å; Y128-C180 HydrophobicContact CD2-CB 4.3Å; Y128-C180 HydrophobicContact CE1-CB 3.69Å; Y128-C180 HydrophobicContact CE2-CB 3.79Å; Y128-C180 VanDerWaalsContact CZ-CB 3.44Å; Y128-C180 PolarHBondContact N-O 3.11Å; Y128-C180 PolarHBondContact O-N 2.97Å; Y128-E182 HydrophobicContact CD1-CB 3.85Å; Y128-E182 HydrophobicContact CE1-CB 3.78Å; Y128-E182 HydrophobicContact CE1-CG 4.48Å; Y128-E189 PolarHBondContact OH-OE2 2.77Å; Y128-E189 VanDerWaalsContact OH-OE2 3.04Å
129V96.8Very high85.9Confident0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.1132.2-178.7-175.10000110.7L93 I110 L131 K144 T145 W156 I177 A178 V179L93-V129 HydrophobicContact CD1-CG2 4.26Å; I110-V129 HydrophobicContact CD1-CG1 4.46Å; I110-V129 HydrophobicContact CG2-CB 4.11Å; I110-V129 HydrophobicContact CG2-CG1 4.36Å; I110-V129 HydrophobicContact CG2-CG2 3.72Å; V129-L131 HydrophobicContact CG1-CD2 4.19Å; V129-K144 CarbonylContact O-C 3.56Å; V129-K144 VanDerWaalsContact O-CA 3.23Å; V129-K144 WeakPolarHBondContact O-CA 3.31Å; V129-T145 HydrophobicContact CB-CG2 3.94Å; V129-T145 PolarHBondContact N-OG1 2.9Å; V129-T145 PolarHBondContact O-N 2.8Å; V129-W156 HydrophobicContact CG2-CD2 4.31Å; V129-W156 HydrophobicContact CG2-CE3 4.14Å; V129-W156 HydrophobicContact CG2-CH2 3.6Å; V129-W156 HydrophobicContact CG2-CZ2 3.81Å; V129-W156 HydrophobicContact CG2-CZ3 3.79Å; V129-I177 HydrophobicContact CG1-CG2 3.5Å; V129-A178 CarbonylContact C-O 3.6Å; V129-A178 WeakPolarHBondContact CA-O 3.06Å; V129-V179 HydrophobicContact CG2-CG2 4.19Å
130K94.6Very high85.4Confident30 Ų3040.4 Ų40.413%0.1323%0.228CC..EExtended strand (participates in β ladder)trans-107.6129.6172-68.2170.8169.4138.60109.4Y128 L143 A178 E189Y128-K130 HydrophobicContact CD2-CG 4.03Å; Y128-K130 HydrophobicContact CE2-CD 3.8Å; Y128-K130 VanDerWaalsContact CE2-CE 3.44Å; Y128-K130 HydrophobicContact CE2-CG 3.49Å; Y128-K130 VanDerWaalsContact CE2-CG 3.49Å; Y128-K130 WeakPolarHBondContact OH-CE 3.21Å; Y128-K130 PolarHBondContact OH-NZ 2.77Å; K130-L143 CarbonylContact C-O 3.52Å; K130-L143 WeakPolarHBondContact CA-O 3.42Å; K130-A178 PolarHBondContact N-O 2.88Å; K130-A178 PolarHBondContact O-N 3.16Å; K130-E189 IonicContact NZ-OE2 2.76Å; K130-E189 PolarHBondContact NZ-OE2 3.48Å
131L95.1Very high85.3Confident0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-108139173.4-55.9-177.1000110.8C108 I110 V129 K142 L143 L160 Y162 L175 R176 I177C108-L131 HydrophobicContact CB-CD1 3.6Å; I110-L131 HydrophobicContact CD1-CD1 4.49Å; I110-L131 HydrophobicContact CD1-CD2 4.16Å; V129-L131 HydrophobicContact CG1-CD2 4.19Å; L131-K142 WeakPolarHBondContact O-CA 3.49Å; L131-L143 HydrophobicContact CB-CB 4.2Å; L131-L143 HydrophobicContact CD1-CB 4.42Å; L131-L143 PolarHBondContact N-O 2.91Å; L131-L143 PolarHBondContact O-N 3.4Å; L131-L143 VanDerWaalsContact O-N 3.14Å; L131-L160 HydrophobicContact CD1-CB 3.7Å; L131-L160 HydrophobicContact CD1-CD1 3.55Å; L131-L160 HydrophobicContact CD1-CG 4.25Å; L131-L160 HydrophobicContact CG-CD1 3.9Å; L131-Y162 VanDerWaalsContact C-OH 3.24Å; L131-Y162 HydrophobicContact CB-CE2 4.25Å; L131-Y162 WeakPolarHBondContact CB-OH 3.44Å; L131-Y162 HydrophobicContact CD1-CE2 4.38Å; L131-Y162 PolarHBondContact O-OH 3.32Å; L131-Y162 VanDerWaalsContact O-OH 3.13Å; L131-L175 HydrophobicContact CB-CD1 4.25Å; L131-R176 WeakPolarHBondContact CA-O 3.26Å; L131-I177 HydrophobicContact CD2-CB 3.96Å; L131-I177 HydrophobicContact CD2-CD1 4.27Å; L131-I177 HydrophobicContact CD2-CG1 3.68Å; L131-I177 HydrophobicContact CD2-CG2 3.66Å
132H90.1Very high85.5Confident31 Ų3133.1 Ų33.114%0.14420%0.195CC..EExtended strand (participates in β ladder)trans-139.8143.1169.3-60.485.6000110.6A137 K142 R176H132-A137 HydrophobicContact CB-CB 4.28Å; H132-K142 WeakPolarHBondContact NE2-CD 3.25Å; H132-K142 WeakPolarHBondContact NE2-CG 3.49Å; H132-R176 PolarHBondContact N-O 3.25Å; H132-R176 PolarHBondContact O-N 2.8Å
133L89.1Confident85.9Confident1 Ų131 Ų311%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-92.2131.9168.8-68.8171.4000109.6L106 A137 N141 Y162 I165 K173 L175 L198L106-L133 HydrophobicContact CD2-CD2 4.27Å; L133-A137 PolarHBondContact O-N 3.38Å; L133-N141 PolarHBondContact O-ND2 3.31Å; L133-Y162 HydrophobicContact CD1-CD1 3.67Å; L133-Y162 HydrophobicContact CD1-CD2 4.07Å; L133-Y162 HydrophobicContact CD1-CE1 3.9Å; L133-Y162 HydrophobicContact CD1-CE2 4.28Å; L133-Y162 HydrophobicContact CD1-CG 3.75Å; L133-Y162 HydrophobicContact CD2-CE2 4.44Å; L133-Y162 HydrophobicContact CG-CD1 4.34Å; L133-Y162 HydrophobicContact CG-CD2 4.29Å; L133-Y162 HydrophobicContact CG-CE1 4.12Å; L133-Y162 HydrophobicContact CG-CE2 4.05Å; L133-Y162 HydrophobicContact CG-CG 4.42Å; L133-I165 HydrophobicContact CD1-CD1 3.54Å; L133-K173 HydrophobicContact CB-CD 4.47Å; L133-L175 HydrophobicContact CD2-CB 4.38Å; L133-L175 HydrophobicContact CD2-CD1 3.96Å; L133-L198 HydrophobicContact CD2-CD1 3.91Å
134L84.8Confident86.3Confident38 Ų3832.7 Ų32.720%0.19918%0.18CC..EExtended strand (participates in β ladder)trans-119.3143.4178.7-60.9175.2000110.2A137 K173 V174 R176L134-A137 HydrophobicContact CD2-CB 3.55Å; L134-K173 CarbonylContact O-C 3.47Å; L134-K173 WeakPolarHBondContact O-CA 3.47Å; L134-K173 VanDerWaalsContact O-CB 3.26Å; L134-K173 WeakPolarHBondContact O-CB 3.41Å; L134-V174 HydrophobicContact CB-CB 4.41Å; L134-V174 PolarHBondContact N-O 3.34Å; L134-V174 PolarHBondContact O-N 2.99Å; L134-R176 HydrophobicContact CD1-CB 3.92Å; L134-R176 HydrophobicContact CG-CB 4.37Å
135P78.3Confident86.6Confident61 Ų6130.1 Ų30.140%0.39617%0.167SC..SBendcis-67168.3-10.330.7-36.5000111.9
136G68.8Low86.8Confident35 Ų3537.3 Ų37.336%0.36120%0.198SC..SBendtrans91.125.7178.200000114.9C138 N141G136-C138 PolarHBondContact O-N 3.47Å; G136-N141 PolarHBondContact O-ND2 2.93Å
137A62.8Low86.9Confident37 Ų3737.6 Ų37.631%0.30620%0.2SC..  trans-54.8116.1171.400000110.2H132 L133 L134H132-A137 HydrophobicContact CB-CB 4.28Å; L133-A137 PolarHBondContact O-N 3.38Å; L134-A137 HydrophobicContact CD2-CB 3.55Å
138C71.1Confident87Confident56 Ų5640.9 Ų40.938%0.37822%0.216SC..  trans-143.9171.4-178.770.10000108.8G136 A140 N141 K142G136-C138 PolarHBondContact O-N 3.47Å; C138-A140 PolarHBondContact O-N 3.46Å; C138-A140 VanDerWaalsContact O-N 3.17Å; C138-A140 VanDerWaalsContact SG-CB 3.56Å; C138-N141 PolarHBondContact N-OD1 2.91Å; C138-N141 PolarHBondContact O-N 2.77Å; C138-N141 PolarHBondContact O-OD1 3.15Å; C138-K142 PolarHBondContact O-N 3.35Å
139K76.3Confident86.9Confident94 Ų9448.6 Ų48.641%0.40925%0.245SC..G310 helixtrans-60.7-29.1178.5-157-173.2-159.8171.10112.3N141 K142 N284 G285 Y286 L314K139-N141 VanDerWaalsContact C-N 3.34Å; K139-N141 PolarHBondContact O-N 2.92Å; K139-K142 PolarHBondContact O-N 3.35Å; K139-N284 PolarHBondContact NZ-O 2.98Å; K139-G285 WeakPolarHBondContact CD-O 3.41Å; K139-Y286 HydrophobicContact CD-CD1 4.42Å; K139-Y286 HydrophobicContact CD-CE1 4.05Å; K139-Y286 HydrophobicContact CD-CE2 4.21Å; K139-Y286 WeakPolarHBondContact CE-OH 3.33Å; K139-L314 HydrophobicContact CB-CD1 4.08Å
140A76.7Confident86.7Confident4 Ų452.7 Ų52.73%0.03327%0.267CS..G310 helixtrans-70.3-28.2-176.700000113.9C138 H277 L278 L314 N315C138-A140 PolarHBondContact O-N 3.46Å; C138-A140 VanDerWaalsContact O-N 3.17Å; C138-A140 VanDerWaalsContact SG-CB 3.56Å; A140-H277 HydrophobicContact CB-CB 4.33Å; A140-L278 VanDerWaalsContact CB-O 3.31Å; A140-L278 WeakPolarHBondContact CB-O 3.46Å; A140-L314 HydrophobicContact CB-CB 3.49Å; A140-L314 VanDerWaalsContact CB-CB 3.49Å; A140-L314 HydrophobicContact CB-CD1 3.57Å; A140-L314 HydrophobicContact CB-CG 4.12Å; A140-N315 PolarHBondContact O-ND2 2.81Å; A140-N315 VanDerWaalsContact O-ND2 3.11Å
141N83.3Confident86.7Confident5 Ų553 Ų533%0.02727%0.271CS..G310 helixtrans-107.514.6-179.674.36.8000113.2L133 G136 C138 K139 Y162L133-N141 PolarHBondContact O-ND2 3.31Å; G136-N141 PolarHBondContact O-ND2 2.93Å; C138-N141 PolarHBondContact N-OD1 2.91Å; C138-N141 PolarHBondContact O-N 2.77Å; C138-N141 PolarHBondContact O-OD1 3.15Å; K139-N141 VanDerWaalsContact C-N 3.34Å; K139-N141 PolarHBondContact O-N 2.92Å; N141-Y162 HydrophobicContact CB-CE1 4.1Å; N141-Y162 WeakPolarHBondContact O-CE1 3.39Å; N141-Y162 VanDerWaalsContact O-CZ 3.31Å; N141-Y162 PolarHBondContact O-OH 2.84Å
142K88.9Confident86.7Confident93 Ų9354.6 Ų54.640%0.40428%0.279SS..  trans-87.3119.2172.5-178.8175.4178.5-177.90109.7L131 H132 C138 K139L131-K142 WeakPolarHBondContact O-CA 3.49Å; H132-K142 WeakPolarHBondContact NE2-CD 3.25Å; H132-K142 WeakPolarHBondContact NE2-CG 3.49Å; C138-K142 PolarHBondContact O-N 3.35Å; K139-K142 PolarHBondContact O-N 3.35Å
143L93.5Very high87Confident40 Ų4057.4 Ų57.421%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-111.1147.9168.1-54.2177.3000109.1K130 L131 L160 Y162K130-L143 CarbonylContact C-O 3.52Å; K130-L143 WeakPolarHBondContact CA-O 3.42Å; L131-L143 HydrophobicContact CB-CB 4.2Å; L131-L143 HydrophobicContact CD1-CB 4.42Å; L131-L143 PolarHBondContact N-O 2.91Å; L131-L143 PolarHBondContact O-N 3.4Å; L131-L143 VanDerWaalsContact O-N 3.14Å; L143-L160 HydrophobicContact CB-CB 4.15Å; L143-L160 HydrophobicContact CB-CD1 4Å; L143-L160 HydrophobicContact CB-CD2 4.43Å; L143-L160 HydrophobicContact CB-CG 4.43Å; L143-L160 HydrophobicContact CD1-CB 3.89Å; L143-Y162 HydrophobicContact CD1-CD1 3.91Å; L143-Y162 HydrophobicContact CD1-CD2 3.89Å; L143-Y162 HydrophobicContact CD1-CE1 3.69Å; L143-Y162 HydrophobicContact CD1-CE2 3.68Å; L143-Y162 HydrophobicContact CD1-CG 4.01Å; L143-Y162 HydrophobicContact CG-CD1 4.36Å; L143-Y162 HydrophobicContact CG-CE1 3.75Å; L143-Y162 HydrophobicContact CG-CE2 4.33Å
144K94.6Very high87.4Confident73 Ų7357.5 Ų57.532%0.31730%0.296SS..EExtended strand (participates in β ladder)trans-140.1138.9179.7162.7170.9174167.60109.8Y128 V129 E182Y128-K144 HydrophobicContact CD2-CD 3.4Å; Y128-K144 VanDerWaalsContact CD2-CD 3.4Å; Y128-K144 HydrophobicContact CD2-CG 3.74Å; Y128-K144 HydrophobicContact CE2-CD 3.45Å; Y128-K144 VanDerWaalsContact CE2-CD 3.45Å; Y128-K144 VanDerWaalsContact CE2-CE 3.44Å; Y128-K144 HydrophobicContact CE2-CG 4.19Å; Y128-K144 VanDerWaalsContact CE2-NZ 3.31Å; Y128-K144 HydrophobicContact CG-CD 4.24Å; Y128-K144 VanDerWaalsContact CG-CE 3.46Å; V129-K144 CarbonylContact O-C 3.56Å; V129-K144 VanDerWaalsContact O-CA 3.23Å; V129-K144 WeakPolarHBondContact O-CA 3.31Å; K144-E182 IonicContact NZ-OE1 2.78Å; K144-E182 PolarHBondContact NZ-OE1 2.73Å
145T97.4Very high88.1Confident4 Ų459 Ų593%0.02531%0.307CS..PPolyproline II helixtrans-77.6170.5170.465.40000111.4I110 V129 W156 E158 L160I110-T145 HydrophobicContact CB-CG2 3.97Å; I110-T145 HydrophobicContact CG1-CG2 4.01Å; I110-T145 HydrophobicContact CG2-CG2 4.06Å; V129-T145 HydrophobicContact CB-CG2 3.94Å; V129-T145 PolarHBondContact N-OG1 2.9Å; V129-T145 PolarHBondContact O-N 2.8Å; T145-W156 HydrophobicContact CG2-CG 4.47Å; T145-W156 PolarHBondContact OG1-NE1 3.42Å; T145-E158 VanDerWaalsContact CA-OE2 3.27Å; T145-E158 WeakPolarHBondContact CA-OE2 3.38Å; T145-E158 HydrophobicContact CG2-CB 4.25Å; T145-L160 HydrophobicContact CG2-CD1 3.77Å; T145-L160 HydrophobicContact CG2-CG 4.41Å
146K96.3Very high89Confident150 Ų15056.9 Ų56.965%0.65229%0.291SS*.PPolyproline II helixtrans-63.8154.4164.7-58.1169.5-174.9170.50110.5W156 E158K146-W156 PolarHBondContact O-NE1 3.38Å; K146-E158 WeakPolarHBondContact CB-OE1 3.34Å; K146-E158 WeakPolarHBondContact CG-OE1 3.26Å; K146-E158 PolarHBondContact N-OE1 3.11Å; K146-E158 PolarHBondContact N-OE2 2.84Å
147T95.7Very high90.4Very high29 Ų2960.3 Ų60.318%0.17830%0.301CS..PPolyproline II helixtrans-81.9129171.9-50.10000109.7D126 Y128 E182D126-T147 HydrophobicContact CB-CG2 3.93Å; D126-T147 WeakPolarHBondContact O-CG2 3.28Å; Y128-T147 HydrophobicContact CD1-CG2 4.49Å; T147-E182 WeakPolarHBondContact CB-OE2 3.25Å; T147-E182 HydrophobicContact CG2-CB 3.52Å; T147-E182 HydrophobicContact CG2-CG 4.29Å; T147-E182 VanDerWaalsContact CG2-OE2 3.3Å; T147-E182 WeakPolarHBondContact CG2-OE2 3.03Å; T147-E182 PolarHBondContact OG1-OE1 3.36Å; T147-E182 PolarHBondContact OG1-OE2 3.43Å
148Q96.1Very high92.1Very high70 Ų7060.2 Ų60.233%0.32729%0.294SS..PPolyproline II helixtrans-98.7128.9169.9-68.5-64.9-10.700108.1D126 P127 T151 P154 V155D126-Q148 CarbonylContact C-O 3.48Å; D126-Q148 WeakPolarHBondContact CA-O 3.41Å; P127-Q148 WeakPolarHBondContact CD-O 3.28Å; P127-Q148 VanDerWaalsContact N-O 3.12Å; P127-Q148 PolarHBondContact O-N 3.04Å; Q148-T151 HydrophobicContact CB-CG2 3.86Å; Q148-P154 HydrophobicContact CB-CB 3.82Å; Q148-P154 HydrophobicContact CG-CB 3.98Å; Q148-V155 PolarHBondContact NE2-O 3.1Å; Q148-V155 VanDerWaalsContact NE2-O 3.15Å
149R93.8Very high93.3Very high169 Ų16962.9 Ų62.964%0.63831%0.305SS*.PPolyproline II helixtrans-92.3146.8-172.3-66.6-173.9-179.41613.7113.4D126 T151D126-R149 WeakPolarHBondContact OD1-CA 3.23Å; D126-R149 WeakPolarHBondContact OD1-CB 3.14Å; R149-T151 PolarHBondContact O-N 2.83Å
150N92.8Very high94.3Very high86 Ų8659.4 Ų59.446%0.4629%0.291SS..SBendtrans48.352.4170.8-62-54.2000112.7N122 L124 A125 D126N122-N150 PolarHBondContact ND2-OD1 2.86Å; L124-N150 HydrophobicContact CD1-CB 3.84Å; A125-N150 CarbonylContact O-C 3.46Å; A125-N150 VanDerWaalsContact O-CA 3.25Å; A125-N150 WeakPolarHBondContact O-CA 3.48Å; A125-N150 PolarHBondContact O-N 2.76Å; D126-N150 PolarHBondContact OD1-N 2.83Å
151T95.3Very high95.2Very high36 Ų3661.9 Ų61.922%0.22131%0.306CS..  trans-150139.8-179.1-175.50000113A125 P127 Q148 R149 N153 P154A125-T151 PolarHBondContact O-N 2.75Å; P127-T151 VanDerWaalsContact CD-O 3.3Å; P127-T151 WeakPolarHBondContact CD-O 3.38Å; P127-T151 HydrophobicContact CG-CG2 4.15Å; P127-T151 WeakPolarHBondContact CG-O 3.46Å; Q148-T151 HydrophobicContact CB-CG2 3.86Å; R149-T151 PolarHBondContact O-N 2.83Å; T151-N153 PolarHBondContact OG1-N 3.21Å; T151-N153 VanDerWaalsContact OG1-N 3.09Å; T151-P154 HydrophobicContact CG2-CB 3.92Å
152L95.2Very high95.8Very high34 Ų3461.8 Ų61.818%0.17831%0.305CS..SBendtrans-97.4-1.9170.2-54.1179.1000112.6G115 L116 P118 L124 A125G115-L152 PolarHBondContact N-O 3.41Å; L116-L152 HydrophobicContact CB-CB 4.38Å; L116-L152 HydrophobicContact CB-CD2 4.47Å; L116-L152 PolarHBondContact N-O 3.37Å; L116-L152 WeakPolarHBondContact O-CD2 3.15Å; P118-L152 HydrophobicContact CB-CD2 4.44Å; P118-L152 HydrophobicContact CG-CD1 3.85Å; P118-L152 HydrophobicContact CG-CD2 4.32Å; L124-L152 HydrophobicContact CD2-CG 4.17Å; A125-L152 HydrophobicContact CB-CD2 4.05Å
153N97.1Very high96Very high91 Ų9158.5 Ų58.549%0.48729%0.294SS..SBendtrans-130.758.1-179.1-58.5-77.9000110.3A113 K114 G115 T151A113-N153 CarbonylContact O-C 3.45Å; A113-N153 VanDerWaalsContact O-CA 3.29Å; A113-N153 WeakPolarHBondContact O-CA 3.37Å; K114-N153 VanDerWaalsContact CA-OD1 3.31Å; K114-N153 WeakPolarHBondContact CA-OD1 3.41Å; G115-N153 PolarHBondContact N-OD1 2.77Å; T151-N153 PolarHBondContact OG1-N 3.21Å; T151-N153 VanDerWaalsContact OG1-N 3.09Å
154P97.6Very high96Very high2 Ų256.6 Ų56.61%0.01328%0.284CS..  trans-66145-176.430-38.1000111.7R112 A113 L116 P127 Q148 T151 W156R112-P154 CarbonylContact C-O 3.21Å; R112-P154 WeakPolarHBondContact CA-O 3.46Å; R112-P154 WeakPolarHBondContact CB-O 3.2Å; A113-P154 HydrophobicContact CB-CG 3.85Å; A113-P154 PolarHBondContact N-O 2.76Å; L116-P154 HydrophobicContact CD1-CG 3.7Å; P127-P154 HydrophobicContact CB-CG 4.15Å; P127-P154 HydrophobicContact CG-CB 3.7Å; P127-P154 HydrophobicContact CG-CG 3.54Å; Q148-P154 HydrophobicContact CB-CB 3.82Å; Q148-P154 HydrophobicContact CG-CB 3.98Å; T151-P154 HydrophobicContact CG2-CB 3.92Å; P154-W156 HydrophobicContact CB-CD2 4.28Å; P154-W156 HydrophobicContact CB-CE3 4.41Å; P154-W156 HydrophobicContact CB-CH2 3.83Å; P154-W156 HydrophobicContact CB-CZ2 3.62Å; P154-W156 HydrophobicContact CB-CZ3 4.21Å; P154-W156 HydrophobicContact CG-CE3 4.33Å; P154-W156 HydrophobicContact CG-CH2 3.16Å; P154-W156 HydrophobicContact CG-CZ2 3.43Å; P154-W156 VanDerWaalsContact CG-CZ2 3.43Å; P154-W156 HydrophobicContact CG-CZ3 3.66Å
155V98.3Very high95.9Very high71 Ų7153.1 Ų53.143%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-120.1113.8169.8-178.90000107.2R112 Q148 N157R112-V155 HydrophobicContact CB-CB 4.36Å; R112-V155 HydrophobicContact CB-CG1 4.48Å; R112-V155 HydrophobicContact CB-CG2 4Å; Q148-V155 PolarHBondContact NE2-O 3.1Å; Q148-V155 VanDerWaalsContact NE2-O 3.15Å; V155-N157 VanDerWaalsContact CG1-ND2 3.25Å; V155-N157 WeakPolarHBondContact CG1-ND2 3.28Å
156W98.2Very high95.6Very high15 Ų1554.9 Ų54.96%0.05728%0.279CS..EExtended strand (participates in β ladder)trans-95.2-51179-63.8-80.2000110.9L93 I110 L111 A113 P127 V129 T145 K146 P154 E158 V179L93-W156 HydrophobicContact CD1-CH2 4.42Å; L93-W156 HydrophobicContact CD1-CZ3 3.74Å; I110-W156 HydrophobicContact CG2-CB 4.49Å; I110-W156 HydrophobicContact CG2-CD2 4.28Å; I110-W156 HydrophobicContact CG2-CE3 3.8Å; I110-W156 HydrophobicContact CG2-CZ3 4.37Å; L111-W156 PolarHBondContact O-N 3.28Å; A113-W156 HydrophobicContact CB-CH2 3.89Å; A113-W156 HydrophobicContact CB-CZ3 3.73Å; P127-W156 HydrophobicContact CB-CH2 4.48Å; P127-W156 HydrophobicContact CB-CZ2 3.98Å; P127-W156 HydrophobicContact CG-CZ2 4.31Å; P127-W156 PolarHBondContact O-NE1 3.04Å; V129-W156 HydrophobicContact CG2-CD2 4.31Å; V129-W156 HydrophobicContact CG2-CE3 4.14Å; V129-W156 HydrophobicContact CG2-CH2 3.6Å; V129-W156 HydrophobicContact CG2-CZ2 3.81Å; V129-W156 HydrophobicContact CG2-CZ3 3.79Å; T145-W156 HydrophobicContact CG2-CG 4.47Å; T145-W156 PolarHBondContact OG1-NE1 3.42Å; K146-W156 PolarHBondContact O-NE1 3.38Å; P154-W156 HydrophobicContact CB-CD2 4.28Å; P154-W156 HydrophobicContact CB-CE3 4.41Å; P154-W156 HydrophobicContact CB-CH2 3.83Å; P154-W156 HydrophobicContact CB-CZ2 3.62Å; P154-W156 HydrophobicContact CB-CZ3 4.21Å; P154-W156 HydrophobicContact CG-CE3 4.33Å; P154-W156 HydrophobicContact CG-CH2 3.16Å; P154-W156 HydrophobicContact CG-CZ2 3.43Å; P154-W156 VanDerWaalsContact CG-CZ2 3.43Å; P154-W156 HydrophobicContact CG-CZ3 3.66Å; W156-E158 HydrophobicContact CB-CB 4.32Å; W156-E158 HydrophobicContact CB-CG 4.17Å; W156-E158 PolarHBondContact O-N 3.01Å; W156-V179 HydrophobicContact CH2-CG1 4.42Å
157N97.4Very high95.3Very high108 Ų10850.7 Ų50.758%0.57826%0.264SS*.EExtended strand (participates in β ladder)trans46.947.9-169.4-61.6-36.7000111.7I110 L111 V155I110-N157 CarbonylContact O-C 3.39Å; I110-N157 VanDerWaalsContact O-CA 3.3Å; I110-N157 WeakPolarHBondContact O-CA 3.22Å; I110-N157 PolarHBondContact O-N 3.22Å; L111-N157 PolarHBondContact O-N 3.08Å; L111-N157 PolarHBondContact O-OD1 3.04Å; V155-N157 VanDerWaalsContact CG1-ND2 3.25Å; V155-N157 WeakPolarHBondContact CG1-ND2 3.28Å
158E98.1Very high95Very high34 Ų3454.2 Ų54.216%0.15928%0.282CS..EExtended strand (participates in β ladder)trans-111.1131.3-176.5-73.6-176.9-134.100111.2I110 T145 K146 W156I110-E158 PolarHBondContact N-O 3.44Å; I110-E158 PolarHBondContact O-N 3.24Å; T145-E158 VanDerWaalsContact CA-OE2 3.27Å; T145-E158 WeakPolarHBondContact CA-OE2 3.38Å; T145-E158 HydrophobicContact CG2-CB 4.25Å; K146-E158 WeakPolarHBondContact CB-OE1 3.34Å; K146-E158 WeakPolarHBondContact CG-OE1 3.26Å; K146-E158 PolarHBondContact N-OE1 3.11Å; K146-E158 PolarHBondContact N-OE2 2.84Å; W156-E158 HydrophobicContact CB-CB 4.32Å; W156-E158 HydrophobicContact CB-CG 4.17Å; W156-E158 PolarHBondContact O-N 3.01Å
159D97Very high94.7Very high112 Ų11251 Ų5160%0.59927%0.266SS*.EExtended strand (participates in β ladder)trans-94.2114.5174.5-68.9-38.8000110.5S109S109-D159 WeakPolarHBondContact CA-OD1 3.46Å; S109-D159 WeakPolarHBondContact CB-OD1 3.47Å; S109-D159 PolarHBondContact OG-OD1 3.23Å
160L97.3Very high94.7Very high22 Ų2243.5 Ų43.512%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-105.1121.9173.8-60.4-179.5000108.5C108 I110 L131 L143 T145C108-L160 WeakPolarHBondContact CA-O 3.48Å; C108-L160 HydrophobicContact CB-CB 4.4Å; C108-L160 VanDerWaalsContact CB-O 3.28Å; C108-L160 WeakPolarHBondContact CB-O 3.2Å; C108-L160 PolarHBondContact N-O 3.19Å; C108-L160 PolarHBondContact O-N 2.79Å; I110-L160 HydrophobicContact CG1-CD1 4.24Å; L131-L160 HydrophobicContact CD1-CB 3.7Å; L131-L160 HydrophobicContact CD1-CD1 3.55Å; L131-L160 HydrophobicContact CD1-CG 4.25Å; L131-L160 HydrophobicContact CG-CD1 3.9Å; L143-L160 HydrophobicContact CB-CB 4.15Å; L143-L160 HydrophobicContact CB-CD1 4Å; L143-L160 HydrophobicContact CB-CD2 4.43Å; L143-L160 HydrophobicContact CB-CG 4.43Å; L143-L160 HydrophobicContact CD1-CB 3.89Å; T145-L160 HydrophobicContact CG2-CD1 3.77Å; T145-L160 HydrophobicContact CG2-CG 4.41Å
161T96.1Very high94.7Very high56 Ų5643.2 Ų43.234%0.34424%0.241SC..EExtended strand (participates in β ladder)trans-117.4126-173-59.90000111.7T105 L106 H107T105-T161 HydrophobicContact CG2-CG2 4.24Å; L106-T161 WeakPolarHBondContact O-CA 3.31Å; H107-T161 PolarHBondContact ND1-OG1 3.49Å; H107-T161 VanDerWaalsContact ND1-OG1 3.12Å
162Y95.3Very high94.3Very high3 Ų347.5 Ų47.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-89.5133.2165.6-69.7-75.6000110.3T105 L106 L131 L133 N141 L143 L175 H277T105-Y162 CarbonylContact C-O 3.5Å; T105-Y162 VanDerWaalsContact CA-O 3.26Å; T105-Y162 WeakPolarHBondContact CA-O 3.42Å; L106-Y162 HydrophobicContact CD2-CD2 4.22Å; L106-Y162 PolarHBondContact N-O 3.32Å; L106-Y162 PolarHBondContact O-N 3.15Å; L131-Y162 VanDerWaalsContact C-OH 3.24Å; L131-Y162 HydrophobicContact CB-CE2 4.25Å; L131-Y162 WeakPolarHBondContact CB-OH 3.44Å; L131-Y162 HydrophobicContact CD1-CE2 4.38Å; L131-Y162 PolarHBondContact O-OH 3.32Å; L131-Y162 VanDerWaalsContact O-OH 3.13Å; L133-Y162 HydrophobicContact CD1-CD1 3.67Å; L133-Y162 HydrophobicContact CD1-CD2 4.07Å; L133-Y162 HydrophobicContact CD1-CE1 3.9Å; L133-Y162 HydrophobicContact CD1-CE2 4.28Å; L133-Y162 HydrophobicContact CD1-CG 3.75Å; L133-Y162 HydrophobicContact CD2-CE2 4.44Å; L133-Y162 HydrophobicContact CG-CD1 4.34Å; L133-Y162 HydrophobicContact CG-CD2 4.29Å; L133-Y162 HydrophobicContact CG-CE1 4.12Å; L133-Y162 HydrophobicContact CG-CE2 4.05Å; L133-Y162 HydrophobicContact CG-CG 4.42Å; N141-Y162 HydrophobicContact CB-CE1 4.1Å; N141-Y162 WeakPolarHBondContact O-CE1 3.39Å; N141-Y162 VanDerWaalsContact O-CZ 3.31Å; N141-Y162 PolarHBondContact O-OH 2.84Å; L143-Y162 HydrophobicContact CD1-CD1 3.91Å; L143-Y162 HydrophobicContact CD1-CD2 3.89Å; L143-Y162 HydrophobicContact CD1-CE1 3.69Å; L143-Y162 HydrophobicContact CD1-CE2 3.68Å; L143-Y162 HydrophobicContact CD1-CG 4.01Å; L143-Y162 HydrophobicContact CG-CD1 4.36Å; L143-Y162 HydrophobicContact CG-CE1 3.75Å; L143-Y162 HydrophobicContact CG-CE2 4.33Å; Y162-L175 HydrophobicContact CE2-CD1 3.86Å; Y162-H277 AromaticContact CD1-NE2 3.58Å
163S94.3Very high94Very high24 Ų2446.5 Ų46.517%0.16825%0.252CS..EExtended strand (participates in β ladder)trans-104.4152.7175.5-64.60000111.2R274 A276 H277S163-R274 PolarHBondContact OG-NH1 3.32Å; S163-A276 WeakPolarHBondContact O-CB 3.41Å; S163-H277 PolarHBondContact O-CE1 2.68Å
164G91.7Very high93.8Very high0 Ų044 Ų440%024%0.24CC..SBendtrans7227.9178.800000113.6C104 R254 W383C104-G164 CarbonylContact O-C 3.48Å; C104-G164 WeakPolarHBondContact O-CA 3.44Å; C104-G164 PolarHBondContact O-N 3.01Å; G164-R254 WeakPolarHBondContact O-CD 3.28Å; G164-R254 PolarHBondContact O-NH1 3.21Å; G164-W383 VanDerWaalsContact CA-CE2 3.45Å
165I93.1Very high93.6Very high0 Ų044 Ų440%024%0.24CC..  trans-83.4118174.9-57.1-55.2000109.6Y99 C104 L106 L133 D169 I170Y99-I165 HydrophobicContact CD2-CG2 4.31Å; Y99-I165 HydrophobicContact CE2-CB 4.39Å; Y99-I165 HydrophobicContact CE2-CG2 4.05Å; Y99-I165 WeakPolarHBondContact CE2-O 3.34Å; Y99-I165 PolarHBondContact OH-O 2.79Å; C104-I165 CarbonylContact C-O 3.58Å; C104-I165 VanDerWaalsContact CA-O 3.3Å; C104-I165 WeakPolarHBondContact CA-O 3.4Å; C104-I165 VanDerWaalsContact CB-O 3.28Å; C104-I165 WeakPolarHBondContact CB-O 3.4Å; C104-I165 PolarHBondContact O-N 3.42Å; L106-I165 HydrophobicContact CB-CB 4.41Å; L106-I165 HydrophobicContact CB-CG1 3.98Å; L106-I165 HydrophobicContact CB-CG2 4.39Å; L133-I165 HydrophobicContact CD1-CD1 3.54Å; I165-D169 WeakPolarHBondContact CA-OD2 3.44Å; I165-D169 HydrophobicContact CG2-CB 3.89Å; I165-I170 HydrophobicContact CG2-CD1 3.8Å; I165-I170 HydrophobicContact CG2-CG1 4.13Å
166T90.9Very high93.4Very high41 Ų4143.2 Ų43.225%0.25223%0.229SC..  trans-98.2168.3-176.558.40000111.8D168 D169 I170 R254T166-D168 PolarHBondContact O-N 2.83Å; T166-D169 PolarHBondContact N-OD2 3.36Å; T166-D169 WeakPolarHBondContact O-CB 3.28Å; T166-D169 PolarHBondContact O-N 3.39Å; T166-D169 VanDerWaalsContact O-N 3.11Å; T166-D169 PolarHBondContact OG1-N 3Å; T166-D169 PolarHBondContact OG1-OD2 3.19Å; T166-I170 WeakPolarHBondContact O-CG1 3.49Å; T166-I170 PolarHBondContact O-N 3.33Å; T166-R254 PolarHBondContact OG1-NH1 3.01Å
167D90.9Very high93.3Very high62 Ų6242.5 Ų42.533%0.33223%0.227SC..Hα-helixtrans-58-31.5173.3-69.4-43.8000112.2Y99 R101 I170 T171Y99-D167 PolarHBondContact OH-N 3.17Å; Y99-D167 PolarHBondContact OH-OD1 2.86Å; R101-D167 IonicContact CZ-OD2 3.12Å; R101-D167 IonicContact NE-OD1 2.64Å; R101-D167 PolarHBondContact NE-OD1 3.27Å; R101-D167 IonicContact NE-OD2 2.68Å; R101-D167 PolarHBondContact NE-OD2 3.33Å; R101-D167 IonicContact NH2-OD2 2.7Å; R101-D167 PolarHBondContact NH2-OD2 2.88Å; D167-I170 PolarHBondContact O-N 2.95Å; D167-T171 PolarHBondContact O-N 2.67Å; D167-T171 PolarHBondContact O-OG1 3.11Å
168D89Confident93.1Very high102 Ų10237.6 Ų37.655%0.54520%0.201SC..Hα-helixtrans-64.2-45.9175.2-169.573.9000111.2T166 I170 T171 H172T166-D168 PolarHBondContact O-N 2.83Å; D168-I170 VanDerWaalsContact C-N 3.34Å; D168-I170 PolarHBondContact O-N 3.09Å; D168-T171 WeakPolarHBondContact O-CB 3.44Å; D168-T171 PolarHBondContact O-N 2.85Å; D168-T171 VanDerWaalsContact O-N 3.1Å; D168-H172 PolarHBondContact O-CD2 3.36Å; D168-H172 VanDerWaalsContact O-CD2 3.24Å; D168-H172 PolarHBondContact O-N 2.72Å; D168-H172 IonicContact OD1-CD2 2.64Å; D168-H172 IonicContact OD1-NE2 2.82Å
169D90.1Very high93Very high2 Ų236 Ų361%0.01119%0.194CC..Hα-helixtrans-60.6-43.5173.5-65-47.2000112.1I165 T166 T171 H172 K173 R254I165-D169 WeakPolarHBondContact CA-OD2 3.44Å; I165-D169 HydrophobicContact CG2-CB 3.89Å; T166-D169 PolarHBondContact N-OD2 3.36Å; T166-D169 WeakPolarHBondContact O-CB 3.28Å; T166-D169 PolarHBondContact O-N 3.39Å; T166-D169 VanDerWaalsContact O-N 3.11Å; T166-D169 PolarHBondContact OG1-N 3Å; T166-D169 PolarHBondContact OG1-OD2 3.19Å; D169-T171 PolarHBondContact O-N 2.95Å; D169-H172 PolarHBondContact O-N 3Å; D169-K173 HydrophobicContact CB-CD 3.89Å; D169-K173 HydrophobicContact CB-CG 4.27Å; D169-K173 WeakPolarHBondContact O-CA 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.26Å; D169-K173 PolarHBondContact O-N 2.65Å; D169-K173 WeakPolarHBondContact OD1-CD 3.4Å; D169-K173 WeakPolarHBondContact OD1-CE 3.43Å; D169-K173 IonicContact OD1-NZ 3.21Å; D169-K173 PolarHBondContact OD1-NZ 3.28Å; D169-R254 VanDerWaalsContact CG-NH2 3.26Å; D169-R254 IonicContact OD1-CZ 2.69Å; D169-R254 IonicContact OD1-NH1 2.76Å; D169-R254 IonicContact OD1-NH2 3.07Å; D169-R254 PolarHBondContact OD1-NH2 3.46Å; D169-R254 IonicContact OD2-CZ 3.72Å; D169-R254 IonicContact OD2-NH1 3.85Å; D169-R254 PolarHBondContact OD2-NH1 3.45Å; D169-R254 IonicContact OD2-NH2 3.34Å; D169-R254 PolarHBondContact OD2-NH2 3.45Å; D169-R254 VanDerWaalsContact OD2-NH2 3.09Å
170I93.8Very high92.8Very high13 Ų1331 Ų317%0.06717%0.167CC..Hα-helixtrans-60.4-35178.3-65.6-61.3000110.5Y99 I165 T166 D167 D168 L198 R199Y99-I170 HydrophobicContact CD1-CD1 3.98Å; Y99-I170 HydrophobicContact CD1-CG1 3.68Å; Y99-I170 HydrophobicContact CD2-CD1 3.57Å; Y99-I170 HydrophobicContact CD2-CG1 3.8Å; Y99-I170 HydrophobicContact CE1-CD1 4.37Å; Y99-I170 HydrophobicContact CE1-CG1 3.62Å; Y99-I170 HydrophobicContact CE2-CD1 4Å; Y99-I170 HydrophobicContact CE2-CG1 3.75Å; Y99-I170 HydrophobicContact CG-CD1 3.56Å; Y99-I170 HydrophobicContact CG-CG1 3.76Å; I165-I170 HydrophobicContact CG2-CD1 3.8Å; I165-I170 HydrophobicContact CG2-CG1 4.13Å; T166-I170 WeakPolarHBondContact O-CG1 3.49Å; T166-I170 PolarHBondContact O-N 3.33Å; D167-I170 PolarHBondContact O-N 2.95Å; D168-I170 VanDerWaalsContact C-N 3.34Å; D168-I170 PolarHBondContact O-N 3.09Å; I170-L198 HydrophobicContact CD1-CB 4.07Å; I170-L198 HydrophobicContact CD1-CD1 4.06Å; I170-L198 CarbonylContact O-C 3.58Å; I170-L198 WeakPolarHBondContact O-CB 3.4Å; I170-R199 VanDerWaalsContact O-CA 3.25Å; I170-R199 WeakPolarHBondContact O-CA 3.35Å; I170-R199 PolarHBondContact O-N 2.75Å
171T91.9Very high92.5Very high80 Ų8029.9 Ų29.949%0.49116%0.161SC..Hα-helixtrans-73.1-39.9-179.8-56.70000112.2D167 D168 D169D167-T171 PolarHBondContact O-N 2.67Å; D167-T171 PolarHBondContact O-OG1 3.11Å; D168-T171 WeakPolarHBondContact O-CB 3.44Å; D168-T171 PolarHBondContact O-N 2.85Å; D168-T171 VanDerWaalsContact O-N 3.1Å; D169-T171 PolarHBondContact O-N 2.95Å
172H87.6Confident92.1Very high125 Ų12530.8 Ų30.858%0.57916%0.162SC*.Hα-helixtrans-108.6-23.3-166.9-64.9-63.1000115.1D168 D169D168-H172 PolarHBondContact O-CD2 3.36Å; D168-H172 VanDerWaalsContact O-CD2 3.24Å; D168-H172 PolarHBondContact O-N 2.72Å; D168-H172 IonicContact OD1-CD2 2.64Å; D168-H172 IonicContact OD1-NE2 2.82Å; D169-H172 PolarHBondContact O-N 3Å
173K89.3Confident91.4Very high13 Ų1332 Ų326%0.05717%0.168CC..  trans-91156.7-174.3-64.5-173.8172163.80113.8L133 L134 D169 L198 E251L133-K173 HydrophobicContact CB-CD 4.47Å; L134-K173 CarbonylContact O-C 3.47Å; L134-K173 WeakPolarHBondContact O-CA 3.47Å; L134-K173 VanDerWaalsContact O-CB 3.26Å; L134-K173 WeakPolarHBondContact O-CB 3.41Å; D169-K173 HydrophobicContact CB-CD 3.89Å; D169-K173 HydrophobicContact CB-CG 4.27Å; D169-K173 WeakPolarHBondContact O-CA 3.3Å; D169-K173 WeakPolarHBondContact O-CB 3.26Å; D169-K173 PolarHBondContact O-N 2.65Å; D169-K173 WeakPolarHBondContact OD1-CD 3.4Å; D169-K173 WeakPolarHBondContact OD1-CE 3.43Å; D169-K173 IonicContact OD1-NZ 3.21Å; D169-K173 PolarHBondContact OD1-NZ 3.28Å; K173-L198 HydrophobicContact CB-CD1 4Å; K173-L198 WeakPolarHBondContact O-CB 3.19Å; K173-L198 WeakPolarHBondContact O-CG 3.42Å; K173-L198 PolarHBondContact O-N 2.85Å; K173-E251 IonicContact NZ-OE1 3.48Å; K173-E251 PolarHBondContact NZ-OE1 3.43Å; K173-E251 IonicContact NZ-OE2 2.74Å; K173-E251 PolarHBondContact NZ-OE2 2.76Å
174V91.8Very high89.8Confident40 Ų4039.3 Ų39.324%0.24220%0.197CC..EExtended strand (participates in β ladder)trans-121.8129.4175.8-179.50000108.1L134 R195 P197L134-V174 HydrophobicContact CB-CB 4.41Å; L134-V174 PolarHBondContact N-O 3.34Å; L134-V174 PolarHBondContact O-N 2.99Å; V174-R195 HydrophobicContact CG1-CB 3.87Å; V174-P197 HydrophobicContact CG2-CB 4.43Å
175L94.7Very high87.9Confident0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-85.2116170.3179.767000109.1L97 L131 L133 Y162 I177 R195 V196 L198L97-L175 HydrophobicContact CD1-CD2 3.94Å; L97-L175 HydrophobicContact CD2-CD2 3.55Å; L97-L175 HydrophobicContact CG-CD2 4.44Å; L131-L175 HydrophobicContact CB-CD1 4.25Å; L133-L175 HydrophobicContact CD2-CB 4.38Å; L133-L175 HydrophobicContact CD2-CD1 3.96Å; Y162-L175 HydrophobicContact CE2-CD1 3.86Å; L175-I177 HydrophobicContact CD2-CD1 3.89Å; L175-I177 HydrophobicContact CD2-CG1 4.03Å; L175-I177 HydrophobicContact CG-CD1 4.29Å; L175-I177 HydrophobicContact CG-CG1 3.87Å; L175-R195 WeakPolarHBondContact O-CA 3.34Å; L175-V196 PolarHBondContact N-O 2.76Å; L175-V196 PolarHBondContact O-N 2.79Å; L175-L198 HydrophobicContact CB-CD2 3.81Å
176R93.2Very high86.2Confident56 Ų5649.5 Ų49.521%0.21125%0.254CS..EExtended strand (participates in β ladder)trans-90.7124.2170-178.7-177.1177.4-158.41.4109L131 H132 L134 E193 R195L131-R176 WeakPolarHBondContact CA-O 3.26Å; H132-R176 PolarHBondContact N-O 3.25Å; H132-R176 PolarHBondContact O-N 2.8Å; L134-R176 HydrophobicContact CD1-CB 3.92Å; L134-R176 HydrophobicContact CG-CB 4.37Å; R176-E193 IonicContact CZ-OE2 2.74Å; R176-E193 IonicContact NE-OE1 3.38Å; R176-E193 IonicContact NE-OE2 2.7Å; R176-E193 PolarHBondContact NE-OE2 2.87Å; R176-E193 IonicContact NH2-OE2 3.11Å; R176-E193 PolarHBondContact NH2-OE2 3.09Å; R176-R195 HydrophobicContact CG-CG 4.48Å
177I95.2Very high84.5Confident0 Ų057.2 Ų57.20%029%0.287CS..EExtended strand (participates in β ladder)trans-118.1110179.2-48.7-174.6000107.1L93 F95 V129 L131 L175 E193 I194L93-I177 HydrophobicContact CD2-CG2 3.46Å; L93-I177 VanDerWaalsContact CD2-CG2 3.46Å; F95-I177 HydrophobicContact CD1-CD1 4.42Å; F95-I177 HydrophobicContact CD2-CD1 3.77Å; F95-I177 HydrophobicContact CE1-CD1 4.12Å; F95-I177 HydrophobicContact CE2-CD1 3.42Å; F95-I177 VanDerWaalsContact CE2-CD1 3.42Å; F95-I177 HydrophobicContact CG-CD1 4.26Å; F95-I177 HydrophobicContact CZ-CD1 3.61Å; V129-I177 HydrophobicContact CG1-CG2 3.5Å; L131-I177 HydrophobicContact CD2-CB 3.96Å; L131-I177 HydrophobicContact CD2-CD1 4.27Å; L131-I177 HydrophobicContact CD2-CG1 3.68Å; L131-I177 HydrophobicContact CD2-CG2 3.66Å; L175-I177 HydrophobicContact CD2-CD1 3.89Å; L175-I177 HydrophobicContact CD2-CG1 4.03Å; L175-I177 HydrophobicContact CG-CD1 4.29Å; L175-I177 HydrophobicContact CG-CG1 3.87Å; I177-E193 CarbonylContact O-C 3.53Å; I177-E193 VanDerWaalsContact O-CA 3.24Å; I177-E193 WeakPolarHBondContact O-CA 3.11Å; I177-I194 PolarHBondContact N-O 2.68Å; I177-I194 PolarHBondContact O-N 2.6Å
178A93.9Very high83.1Confident5 Ų558.9 Ų58.94%0.04130%0.296CS..EExtended strand (participates in β ladder)trans-113.4129.6-178.900000110.3V129 K130 F190 G192 E193V129-A178 CarbonylContact C-O 3.6Å; V129-A178 WeakPolarHBondContact CA-O 3.06Å; K130-A178 PolarHBondContact N-O 2.88Å; K130-A178 PolarHBondContact O-N 3.16Å; A178-F190 HydrophobicContact CB-CE2 4.17Å; A178-G192 CarbonylContact C-O 3.52Å; A178-G192 WeakPolarHBondContact CA-O 3.31Å; A178-E193 HydrophobicContact CB-CB 4.2Å
179V95.5Very high82.7Confident0 Ų057.9 Ų57.90%029%0.288CS..EExtended strand (participates in β ladder)trans-92.5125.1169.9-172.60000107.6L93 L116 P127 V129 W156 I191 G192 L213L93-V179 HydrophobicContact CD1-CG2 4.19Å; L93-V179 HydrophobicContact CD2-CG2 4.07Å; L116-V179 HydrophobicContact CD1-CG1 4.09Å; L116-V179 HydrophobicContact CD2-CG1 4.18Å; P127-V179 HydrophobicContact CB-CG1 4.34Å; V129-V179 HydrophobicContact CG2-CG2 4.19Å; W156-V179 HydrophobicContact CH2-CG1 4.42Å; V179-I191 HydrophobicContact CB-CB 4.47Å; V179-I191 HydrophobicContact CG1-CB 4.39Å; V179-I191 HydrophobicContact CG1-CD1 4.15Å; V179-I191 WeakPolarHBondContact O-CB 3.1Å; V179-I191 PolarHBondContact O-N 2.95Å; V179-G192 PolarHBondContact N-O 3.4Å; V179-G192 PolarHBondContact O-N 3.25Å; V179-L213 HydrophobicContact CB-CD1 4.06Å; V179-L213 HydrophobicContact CB-CD2 4.41Å; V179-L213 HydrophobicContact CG2-CD1 3.8Å; V179-L213 HydrophobicContact CG2-CD2 3.63Å; V179-L213 HydrophobicContact CG2-CG 4.38Å
180C93.1Very high82.6Confident6 Ų660 Ų604%0.04130%0.297CS..EExtended strand (participates in β ladder)trans-125.4157.3-177.8-71.80000110.5P127 Y128 E189P127-C180 CarbonylContact C-O 3.53Å; P127-C180 VanDerWaalsContact CA-O 3.25Å; P127-C180 WeakPolarHBondContact CA-O 3.37Å; Y128-C180 HydrophobicContact CD1-CB 4.25Å; Y128-C180 WeakPolarHBondContact CD1-O 3.45Å; Y128-C180 HydrophobicContact CD2-CB 4.3Å; Y128-C180 HydrophobicContact CE1-CB 3.69Å; Y128-C180 HydrophobicContact CE2-CB 3.79Å; Y128-C180 VanDerWaalsContact CZ-CB 3.44Å; Y128-C180 PolarHBondContact N-O 3.11Å; Y128-C180 PolarHBondContact O-N 2.97Å; C180-E189 CarbonylContact C-O 3.54Å; C180-E189 WeakPolarHBondContact CA-O 3.47Å; C180-E189 WeakPolarHBondContact CB-O 3.37Å; C180-E189 PolarHBondContact SG-O 2.85Å
181D91.3Very high82.4Confident0 Ų059.6 Ų59.60%030%0.295CS..EExtended strand (participates in β ladder)trans-99.2136.5172.7-166.535.4000110.7M119 A125 D126 D183 E189 I191M119-D181 HydrophobicContact CB-CB 4.06Å; M119-D181 WeakPolarHBondContact CB-OD2 3.37Å; M119-D181 HydrophobicContact CG-CB 4.1Å; A125-D181 WeakPolarHBondContact CB-OD1 3.4Å; D126-D181 VanDerWaalsContact C-OD1 3.27Å; D126-D181 VanDerWaalsContact CA-OD1 3.31Å; D126-D181 WeakPolarHBondContact CA-OD1 3.26Å; D126-D181 PolarHBondContact N-OD1 2.83Å; D181-D183 PolarHBondContact O-N 3.43Å; D181-E189 PolarHBondContact N-O 2.84Å; D181-E189 WeakPolarHBondContact O-CB 3.2Å; D181-I191 HydrophobicContact CB-CD1 4.13Å; D181-I191 HydrophobicContact CB-CG1 4.28Å
182E88.8Confident82.4Confident74 Ų7455.8 Ų55.835%0.34627%0.272SS..  trans-92.978.2177.9-168.6158.9-10800111.3D126 Y128 K144 T147D126-E182 HydrophobicContact CB-CB 4.21Å; D126-E182 PolarHBondContact O-N 2.84Å; Y128-E182 HydrophobicContact CD1-CB 3.85Å; Y128-E182 HydrophobicContact CE1-CB 3.78Å; Y128-E182 HydrophobicContact CE1-CG 4.48Å; K144-E182 IonicContact NZ-OE1 2.78Å; K144-E182 PolarHBondContact NZ-OE1 2.73Å; T147-E182 WeakPolarHBondContact CB-OE2 3.25Å; T147-E182 HydrophobicContact CG2-CB 3.52Å; T147-E182 HydrophobicContact CG2-CG 4.29Å; T147-E182 VanDerWaalsContact CG2-OE2 3.3Å; T147-E182 WeakPolarHBondContact CG2-OE2 3.03Å; T147-E182 PolarHBondContact OG1-OE1 3.36Å; T147-E182 PolarHBondContact OG1-OE2 3.43Å
183D78.6Confident82.7Confident28 Ų2850.4 Ų50.415%0.1525%0.247CC..  trans-78135.5176.5-91.5-55.2000112.9D181 S186D181-D183 PolarHBondContact O-N 3.43Å; D183-S186 VanDerWaalsContact CG-CB 3.41Å; D183-S186 VanDerWaalsContact CG-OG 3.3Å; D183-S186 WeakPolarHBondContact OD2-CB 3.26Å; D183-S186 PolarHBondContact OD2-OG 2.84Å
184K60.7Low82.9Confident178 Ų17850.2 Ų50.277%0.77425%0.246SC*.SBendtrans-86.2-16.3167.8-67.3-177.9-176.4174.40113
185L53.7Low83Confident170 Ų17054 Ų5489%0.8926%0.256SS*.SBendtrans-140.8-13.1-164.9-64172000114.8
186S55.8Low82.9Confident45 Ų4554 Ų5432%0.31526%0.257SS..  trans-102.1149.2177.6128.30000111.7D183 N188D183-S186 VanDerWaalsContact CG-CB 3.41Å; D183-S186 VanDerWaalsContact CG-OG 3.3Å; D183-S186 WeakPolarHBondContact OD2-CB 3.26Å; D183-S186 PolarHBondContact OD2-OG 2.84Å; S186-N188 PolarHBondContact OG-N 2.84Å; S186-N188 VanDerWaalsContact OG-N 3.17Å
187H55.8Low83Confident202 Ų20253.1 Ų53.194%0.93526%0.258SS*.SBendtrans-86.4-3.4178.1-74.1-62.3000113.7
188N61.4Low82.9Confident98 Ų9853.1 Ų53.152%0.52426%0.258SS..  trans-115.874.3-171.9-165.535000112.6M119 S186 F190M119-N188 WeakPolarHBondContact CE-O 2.95Å; S186-N188 PolarHBondContact OG-N 2.84Å; S186-N188 VanDerWaalsContact OG-N 3.17Å; N188-F190 PolarHBondContact O-N 2.86Å
189E79.9Confident82.9Confident81 Ų8161.9 Ų61.938%0.37929%0.29SS..  trans-71.50.9179.3-62.4-178-171.600114.6Y128 K130 C180 D181Y128-E189 PolarHBondContact OH-OE2 2.77Å; Y128-E189 VanDerWaalsContact OH-OE2 3.04Å; K130-E189 IonicContact NZ-OE2 2.76Å; K130-E189 PolarHBondContact NZ-OE2 3.48Å; C180-E189 CarbonylContact C-O 3.54Å; C180-E189 WeakPolarHBondContact CA-O 3.47Å; C180-E189 WeakPolarHBondContact CB-O 3.37Å; C180-E189 PolarHBondContact SG-O 2.85Å; D181-E189 PolarHBondContact N-O 2.84Å; D181-E189 WeakPolarHBondContact O-CB 3.2Å
190F88.7Confident82.7Confident47 Ų4768 Ų6821%0.20631%0.313CS..EExtended strand (participates in β ladder)trans-103.6122.1-169-178.8-94.9000112.8A178 N188 E193 Q216A178-F190 HydrophobicContact CB-CE2 4.17Å; N188-F190 PolarHBondContact O-N 2.86Å; F190-E193 HydrophobicContact CE2-CB 3.98Å; F190-E193 HydrophobicContact CZ-CB 3.88Å; F190-E193 HydrophobicContact CZ-CG 4.08Å; F190-Q216 HydrophobicContact CD1-CB 4.34Å; F190-Q216 HydrophobicContact CE1-CB 3.55Å; F190-Q216 HydrophobicContact CE2-CB 4.35Å; F190-Q216 HydrophobicContact CZ-CB 3.54Å
191I90.6Very high82.8Confident4 Ų468.2 Ų68.22%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-95.3-55.6175.6-61171.6000109.9L90 L116 K117 M119 A125 P127 V179 D181L90-I191 VanDerWaalsContact CD1-O 3.26Å; L90-I191 WeakPolarHBondContact CD1-O 3.41Å; L90-I191 WeakPolarHBondContact CD2-O 3.41Å; L116-I191 HydrophobicContact CD1-CD1 4.42Å; L116-I191 HydrophobicContact CD2-CG2 4.32Å; K117-I191 HydrophobicContact CB-CG2 4.3Å; M119-I191 HydrophobicContact CG-CD1 4.11Å; M119-I191 HydrophobicContact CG-CG1 3.66Å; M119-I191 HydrophobicContact SD-CG1 4.23Å; A125-I191 HydrophobicContact CB-CD1 4.38Å; P127-I191 HydrophobicContact CB-CD1 4.29Å; V179-I191 HydrophobicContact CB-CB 4.47Å; V179-I191 HydrophobicContact CG1-CB 4.39Å; V179-I191 HydrophobicContact CG1-CD1 4.15Å; V179-I191 WeakPolarHBondContact O-CB 3.1Å; V179-I191 PolarHBondContact O-N 2.95Å; D181-I191 HydrophobicContact CB-CD1 4.13Å; D181-I191 HydrophobicContact CB-CG1 4.28Å
192G91.8Very high82.9Confident0 Ų074.9 Ų74.90%034%0.343CS..EExtended strand (participates in β ladder)trans-175.8165.6-176.400000113.8A178 V179 E214A178-G192 CarbonylContact C-O 3.52Å; A178-G192 WeakPolarHBondContact CA-O 3.31Å; V179-G192 PolarHBondContact N-O 3.4Å; V179-G192 PolarHBondContact O-N 3.25Å; G192-E214 WeakPolarHBondContact CA-O 3.42Å
193E93.3Very high83.1Confident12 Ų1274.6 Ų74.66%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-136.8162.2178.374.2176.1-141.500114.1R176 I177 A178 F190 R195 E214R176-E193 IonicContact CZ-OE2 2.74Å; R176-E193 IonicContact NE-OE1 3.38Å; R176-E193 IonicContact NE-OE2 2.7Å; R176-E193 PolarHBondContact NE-OE2 2.87Å; R176-E193 IonicContact NH2-OE2 3.11Å; R176-E193 PolarHBondContact NH2-OE2 3.09Å; I177-E193 CarbonylContact O-C 3.53Å; I177-E193 VanDerWaalsContact O-CA 3.24Å; I177-E193 WeakPolarHBondContact O-CA 3.11Å; A178-E193 HydrophobicContact CB-CB 4.2Å; F190-E193 HydrophobicContact CE2-CB 3.98Å; F190-E193 HydrophobicContact CZ-CB 3.88Å; F190-E193 HydrophobicContact CZ-CG 4.08Å; E193-R195 IonicContact OE1-CZ 3.06Å; E193-R195 IonicContact OE1-NE 3.19Å; E193-R195 PolarHBondContact OE1-NE 2.81Å; E193-R195 IonicContact OE1-NH2 3.94Å; E193-R195 PolarHBondContact OE1-NH2 3.3Å; E193-E214 PolarHBondContact N-O 2.64Å; E193-E214 PolarHBondContact O-N 2.77Å
194I92.7Very high83.8Confident8 Ų877.6 Ų77.64%0.04137%0.37CS..EExtended strand (participates in β ladder)trans-134.2142.9169.7-64.2153000108L93 F95 I177 V196 I211 L213L93-I194 HydrophobicContact CB-CD1 4.01Å; L93-I194 HydrophobicContact CD2-CD1 4.32Å; F95-I194 HydrophobicContact CE1-CD1 4.25Å; I177-I194 PolarHBondContact N-O 2.68Å; I177-I194 PolarHBondContact O-N 2.6Å; I194-V196 HydrophobicContact CG2-CG2 3.99Å; I194-I211 HydrophobicContact CD1-CB 3.86Å; I194-I211 HydrophobicContact CD1-CG2 3.91Å; I194-I211 HydrophobicContact CG1-CB 4.46Å; I194-I211 HydrophobicContact CG1-CG2 3.97Å; I194-I211 HydrophobicContact CG2-CD1 4.28Å; I194-I211 HydrophobicContact CG2-CG2 4.27Å; I194-L213 HydrophobicContact CD1-CD2 3.75Å; I194-L213 HydrophobicContact CG1-CD2 4.08Å
195R93.4Very high85.5Confident120 Ų12074.3 Ų74.345%0.45336%0.357SS..EExtended strand (participates in β ladder)trans-116.6122.1174-64.8-176.8-175.9-160.80.1110.3V174 L175 R176 E193V174-R195 HydrophobicContact CG1-CB 3.87Å; L175-R195 WeakPolarHBondContact O-CA 3.34Å; R176-R195 HydrophobicContact CG-CG 4.48Å; E193-R195 IonicContact OE1-CZ 3.06Å; E193-R195 IonicContact OE1-NE 3.19Å; E193-R195 PolarHBondContact OE1-NE 2.81Å; E193-R195 IonicContact OE1-NH2 3.94Å; E193-R195 PolarHBondContact OE1-NH2 3.3Å
196V93.4Very high87.5Confident1 Ų171.5 Ų71.51%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-114.7107.2179.9-173.60000109.7F95 L97 L175 I194 L198 F209F95-V196 HydrophobicContact CE2-CG2 4.22Å; F95-V196 HydrophobicContact CZ-CG2 3.94Å; L97-V196 HydrophobicContact CD1-CB 4.3Å; L97-V196 HydrophobicContact CD1-CG1 3.93Å; L175-V196 PolarHBondContact N-O 2.76Å; L175-V196 PolarHBondContact O-N 2.79Å; I194-V196 HydrophobicContact CG2-CG2 3.99Å; V196-L198 PolarHBondContact O-N 2.73Å; V196-F209 HydrophobicContact CG1-CE1 4.23Å; V196-F209 HydrophobicContact CG1-CZ 3.93Å
197P94.9Very high89.5Confident36 Ų3672.6 Ų72.623%0.23434%0.337CS..EExtended strand (participates in β ladder)trans-59.7123.6169.4-23.633.8000110.4V174 R199 R200V174-P197 HydrophobicContact CG2-CB 4.43Å; P197-R199 HydrophobicContact CB-CG 4.03Å; P197-R199 PolarHBondContact O-N 2.7Å; P197-R200 HydrophobicContact CB-CG 4.45Å; P197-R200 WeakPolarHBondContact O-CB 3.09Å; P197-R200 WeakPolarHBondContact O-CG 2.88Å; P197-R200 PolarHBondContact O-N 3Å; P197-R200 VanDerWaalsContact O-N 3.15Å
198L94.4Very high91.5Very high0 Ų067.9 Ų67.90%032%0.315CS..G310 helixtrans-66-24.1-173.4-65.6-173.9000112.5L106 L133 I170 K173 L175 V196 R200 L201L106-L198 HydrophobicContact CD2-CD1 4.09Å; L106-L198 HydrophobicContact CD2-CD2 3.83Å; L133-L198 HydrophobicContact CD2-CD1 3.91Å; I170-L198 HydrophobicContact CD1-CB 4.07Å; I170-L198 HydrophobicContact CD1-CD1 4.06Å; I170-L198 CarbonylContact O-C 3.58Å; I170-L198 WeakPolarHBondContact O-CB 3.4Å; K173-L198 HydrophobicContact CB-CD1 4Å; K173-L198 WeakPolarHBondContact O-CB 3.19Å; K173-L198 WeakPolarHBondContact O-CG 3.42Å; K173-L198 PolarHBondContact O-N 2.85Å; L175-L198 HydrophobicContact CB-CD2 3.81Å; V196-L198 PolarHBondContact O-N 2.73Å; L198-R200 PolarHBondContact O-N 2.9Å; L198-L201 HydrophobicContact CD2-CD1 3.91Å; L198-L201 VanDerWaalsContact O-CB 3.28Å; L198-L201 WeakPolarHBondContact O-CB 3.17Å; L198-L201 WeakPolarHBondContact O-CG 3.25Å; L198-L201 PolarHBondContact O-N 2.84Å
199R94Very high93.2Very high189 Ų18963.8 Ų63.871%0.71329%0.293SS*.G310 helixtrans-57.2-14.2174.366.6-179.5-178.3176-0.6114.3I170 P197 L201I170-R199 VanDerWaalsContact O-CA 3.25Å; I170-R199 WeakPolarHBondContact O-CA 3.35Å; I170-R199 PolarHBondContact O-N 2.75Å; P197-R199 HydrophobicContact CB-CG 4.03Å; P197-R199 PolarHBondContact O-N 2.7Å; R199-L201 VanDerWaalsContact C-N 3.31Å
200R91.2Very high94Very high130 Ų13064 Ų6449%0.49130%0.297SS..G310 helixtrans-82.8-7.5175.2-61.2177.470-169.10.7113.1P197 L198 K207P197-R200 HydrophobicContact CB-CG 4.45Å; P197-R200 WeakPolarHBondContact O-CB 3.09Å; P197-R200 WeakPolarHBondContact O-CG 2.88Å; P197-R200 PolarHBondContact O-N 3Å; P197-R200 VanDerWaalsContact O-N 3.15Å; L198-R200 PolarHBondContact O-N 2.9Å; R200-K207 PolarHBondContact O-NZ 3.03Å
201L94Very high94.2Very high10 Ų1064.1 Ų64.15%0.05230%0.299CS..PPolyproline II helixtrans-90.5142175.9-55.4-178000109.4L97 L106 L198 R199 K207 F209L97-L201 HydrophobicContact CB-CD1 3.99Å; L97-L201 HydrophobicContact CB-CD2 3.8Å; L97-L201 HydrophobicContact CD1-CD1 4.26Å; L97-L201 HydrophobicContact CD1-CD2 4.13Å; L106-L201 HydrophobicContact CD1-CD1 3.63Å; L198-L201 HydrophobicContact CD2-CD1 3.91Å; L198-L201 VanDerWaalsContact O-CB 3.28Å; L198-L201 WeakPolarHBondContact O-CB 3.17Å; L198-L201 WeakPolarHBondContact O-CG 3.25Å; L198-L201 PolarHBondContact O-N 2.84Å; R199-L201 VanDerWaalsContact C-N 3.31Å; L201-K207 HydrophobicContact CD2-CB 4.11Å; L201-K207 HydrophobicContact CD2-CD 4.03Å; L201-F209 HydrophobicContact CD2-CE2 4.25Å; L201-F209 HydrophobicContact CD2-CZ 4.2Å
202K93.9Very high94.4Very high140 Ų14067.8 Ų67.861%0.60932%0.324SS*.PPolyproline II helixtrans-103141.1168.6-65.4-171.9-175.5173.70108.4S204 Q205K202-S204 PolarHBondContact O-N 3.28Å; K202-Q205 HydrophobicContact CB-CB 4.09Å; K202-Q205 PolarHBondContact O-N 2.84Å
203P93.9Very high94.4Very high68 Ų6868.1 Ų68.144%0.44233%0.326SS..BIsolated β-bridgetrans-53.3138.4176.1-26.734.6000112.2Y99 R101 Q205Y99-P203 HydrophobicContact CD1-CB 4.16Å; Y99-P203 HydrophobicContact CD1-CG 4.07Å; Y99-P203 HydrophobicContact CE1-CB 4.46Å; Y99-P203 HydrophobicContact CE1-CG 4.23Å; R101-P203 HydrophobicContact CB-CB 4.19Å; P203-Q205 PolarHBondContact O-N 3.04Å
204S93Very high94.2Very high90 Ų9073.8 Ų73.863%0.62935%0.352SS*.THydrogen-bonded Turntrans57.312.7178.1-500000115.1Y99 K202Y99-S204 PolarHBondContact O-N 3.06Å; K202-S204 PolarHBondContact O-N 3.28Å
205Q95.6Very high93.7Very high109 Ų10979.8 Ų79.851%0.50937%0.374SS..  trans-109.1114.5175-172.7176.435.200109.9K202 P203 K207K202-Q205 HydrophobicContact CB-CB 4.09Å; K202-Q205 PolarHBondContact O-N 2.84Å; P203-Q205 PolarHBondContact O-N 3.04Å; Q205-K207 PolarHBondContact O-N 2.8Å
206K96.9Very high92.4Very high112 Ų11277.6 Ų77.649%0.48737%0.369SS..  trans-68.4127.4172.7-178.4177.3-100.3-146.30109.1D96 L98D96-K206 HydrophobicContact CB-CD 3.97Å; D96-K206 HydrophobicContact CB-CG 3.92Å; D96-K206 WeakPolarHBondContact OD2-CD 3.14Å; D96-K206 WeakPolarHBondContact OD2-CE 3.34Å; D96-K206 IonicContact OD2-NZ 3.79Å; D96-K206 PolarHBondContact OD2-NZ 3Å; L98-K206 HydrophobicContact CB-CB 4.43Å; L98-K206 HydrophobicContact CD1-CB 4.38Å
207K97.2Very high90.6Very high67 Ų6783.4 Ų83.429%0.29140%0.404SS..EExtended strand (participates in β ladder)trans-115.4120.4178.2-170.2170-177178.60109.9D96 L97 R200 L201 Q205 F209D96-K207 WeakPolarHBondContact CA-O 3Å; L97-K207 PolarHBondContact N-O 2.76Å; L97-K207 PolarHBondContact O-N 2.74Å; R200-K207 PolarHBondContact O-NZ 3.03Å; L201-K207 HydrophobicContact CD2-CB 4.11Å; L201-K207 HydrophobicContact CD2-CD 4.03Å; Q205-K207 PolarHBondContact O-N 2.8Å; K207-F209 HydrophobicContact CB-CE2 3.91Å; K207-F209 HydrophobicContact CB-CZ 4.31Å; K207-F209 HydrophobicContact CD-CE1 4.15Å; K207-F209 HydrophobicContact CD-CE2 3.96Å; K207-F209 HydrophobicContact CD-CZ 3.48Å; K207-F209 VanDerWaalsContact CD-CZ 3.48Å; K207-F209 HydrophobicContact CG-CD2 4.4Å; K207-F209 HydrophobicContact CG-CE1 4.36Å; K207-F209 HydrophobicContact CG-CE2 3.69Å; K207-F209 HydrophobicContact CG-CZ 3.7Å; K207-F209 WeakPolarHBondContact O-CD2 3.35Å; K207-F209 WeakPolarHBondContact O-CE2 3.39Å
208H97.9Very high88.2Confident103 Ų10386.6 Ų86.648%0.47743%0.425SS..EExtended strand (participates in β ladder)trans-86.7139.7177.8-175.275.5000111E94 D96E94-H208 VanDerWaalsContact CG-CE1 3.43Å; E94-H208 WeakPolarHBondContact CG-CE1 3.49Å; E94-H208 IonicContact OE1-CE1 2.8Å; E94-H208 PolarHBondContact OE1-CE1 2.76Å; E94-H208 IonicContact OE1-NE2 2.79Å; D96-H208 WeakPolarHBondContact OD1-CA 3.36Å; D96-H208 IonicContact OD1-CE1 3.83Å; D96-H208 IonicContact OD1-CG 2.95Å; D96-H208 IonicContact OD1-ND1 3.53Å; D96-H208 PolarHBondContact OD1-ND1 2.95Å
209F96.9Very high86Confident12 Ų1289.8 Ų89.85%0.05344%0.442CS..EExtended strand (participates in β ladder)trans-131.4137.9177.6-62.2-89.2000110.1E94 F95 L97 V196 L201 K207 I211E94-F209 CarbonylContact C-O 3.52Å; E94-F209 VanDerWaalsContact CA-O 3.28Å; E94-F209 WeakPolarHBondContact CA-O 3.42Å; F95-F209 HydrophobicContact CD1-CB 3.97Å; F95-F209 HydrophobicContact CD2-CB 4.06Å; F95-F209 AromaticContact CD2-CD2 3.9Å; F95-F209 HydrophobicContact CD2-CD2 3.9Å; F95-F209 HydrophobicContact CD2-CG 4.29Å; F95-F209 HydrophobicContact CE1-CB 3.57Å; F95-F209 HydrophobicContact CE1-CG 4.34Å; F95-F209 HydrophobicContact CE2-CB 3.65Å; F95-F209 HydrophobicContact CE2-CD1 4.5Å; F95-F209 AromaticContact CE2-CD2 3.41Å; F95-F209 HydrophobicContact CE2-CD2 3.41Å; F95-F209 VanDerWaalsContact CE2-CD2 3.41Å; F95-F209 HydrophobicContact CE2-CE2 4.13Å; F95-F209 AromaticContact CE2-CG 3.62Å; F95-F209 HydrophobicContact CE2-CG 3.62Å; F95-F209 HydrophobicContact CG-CB 4.21Å; F95-F209 HydrophobicContact CZ-CB 3.4Å; F95-F209 HydrophobicContact CZ-CD1 4.3Å; F95-F209 AromaticContact CZ-CD2 3.97Å; F95-F209 HydrophobicContact CZ-CD2 3.97Å; F95-F209 AromaticContact CZ-CG 3.65Å; F95-F209 HydrophobicContact CZ-CG 3.65Å; F95-F209 PolarHBondContact N-O 2.95Å; F95-F209 PolarHBondContact O-N 3.25Å; L97-F209 HydrophobicContact CB-CE2 4.02Å; L97-F209 HydrophobicContact CD1-CD2 4.35Å; L97-F209 HydrophobicContact CD1-CE2 3.7Å; L97-F209 HydrophobicContact CD1-CZ 4.24Å; L97-F209 HydrophobicContact CG-CD2 4.15Å; L97-F209 HydrophobicContact CG-CE2 3.78Å; V196-F209 HydrophobicContact CG1-CE1 4.23Å; V196-F209 HydrophobicContact CG1-CZ 3.93Å; L201-F209 HydrophobicContact CD2-CE2 4.25Å; L201-F209 HydrophobicContact CD2-CZ 4.2Å; K207-F209 HydrophobicContact CB-CE2 3.91Å; K207-F209 HydrophobicContact CB-CZ 4.31Å; K207-F209 HydrophobicContact CD-CE1 4.15Å; K207-F209 HydrophobicContact CD-CE2 3.96Å; K207-F209 HydrophobicContact CD-CZ 3.48Å; K207-F209 VanDerWaalsContact CD-CZ 3.48Å; K207-F209 HydrophobicContact CG-CD2 4.4Å; K207-F209 HydrophobicContact CG-CE1 4.36Å; K207-F209 HydrophobicContact CG-CE2 3.69Å; K207-F209 HydrophobicContact CG-CZ 3.7Å; K207-F209 WeakPolarHBondContact O-CD2 3.35Å; K207-F209 WeakPolarHBondContact O-CE2 3.39Å; F209-I211 HydrophobicContact CB-CD1 4.19Å; F209-I211 HydrophobicContact CB-CG1 4.37Å; F209-I211 HydrophobicContact CD1-CD1 3.73Å; F209-I211 HydrophobicContact CG-CD1 4.38Å
210N96.6Very high83.4Confident87 Ų8782.4 Ų82.447%0.46542%0.421SS..EExtended strand (participates in β ladder)trans-139.497.5168.5-178.514.5000106.5L93 E94L93-N210 WeakPolarHBondContact O-CA 3.38Å; E94-N210 HydrophobicContact CG-CB 4.36Å
211I93.5Very high81.2Confident49 Ų4978.9 Ų78.925%0.25142%0.416SS..EExtended strand (participates in β ladder)trans-128141.8-165.6-62.9175.9000109.6M92 L93 I194 F209M92-I211 WeakPolarHBondContact CA-O 3.45Å; L93-I211 PolarHBondContact N-O 3.15Å; L93-I211 PolarHBondContact O-N 2.64Å; I194-I211 HydrophobicContact CD1-CB 3.86Å; I194-I211 HydrophobicContact CD1-CG2 3.91Å; I194-I211 HydrophobicContact CG1-CB 4.46Å; I194-I211 HydrophobicContact CG1-CG2 3.97Å; I194-I211 HydrophobicContact CG2-CD1 4.28Å; I194-I211 HydrophobicContact CG2-CG2 4.27Å; F209-I211 HydrophobicContact CB-CD1 4.19Å; F209-I211 HydrophobicContact CB-CG1 4.37Å; F209-I211 HydrophobicContact CD1-CD1 3.73Å; F209-I211 HydrophobicContact CG-CD1 4.38Å
212C93.6Very high79.1Confident80 Ų8080.9 Ų80.954%0.54143%0.43SS..EExtended strand (participates in β ladder)trans-66.2133.8171.2-60.40000111
213L92.6Very high77Confident8 Ų879.2 Ų79.24%0.04244%0.436CS..PPolyproline II helixtrans-68.6135.3175.7-67.8170000110.2L90 G91 L93 L116 V179 I194L90-L213 HydrophobicContact CB-CB 3.78Å; L90-L213 HydrophobicContact CD1-CB 4.48Å; G91-L213 WeakPolarHBondContact O-CB 3.49Å; G91-L213 PolarHBondContact O-N 2.88Å; L93-L213 HydrophobicContact CB-CD2 4.01Å; L93-L213 HydrophobicContact CB-CG 4.41Å; L93-L213 HydrophobicContact CD2-CD2 4.48Å; L116-L213 HydrophobicContact CD2-CD1 3.49Å; L116-L213 VanDerWaalsContact CD2-CD1 3.49Å; V179-L213 HydrophobicContact CB-CD1 4.06Å; V179-L213 HydrophobicContact CB-CD2 4.41Å; V179-L213 HydrophobicContact CG2-CD1 3.8Å; V179-L213 HydrophobicContact CG2-CD2 3.63Å; V179-L213 HydrophobicContact CG2-CG 4.38Å; I194-L213 HydrophobicContact CD1-CD2 3.75Å; I194-L213 HydrophobicContact CG1-CD2 4.08Å
214E88.5Confident74.8Confident130 Ų13080 Ų8061%0.60744%0.443SS*.BIsolated β-bridgetrans-99.4146.1177.8-64176.8179.900109.8L90 G192 E193 Q216L90-E214 WeakPolarHBondContact CD1-O 3.39Å; G192-E214 WeakPolarHBondContact CA-O 3.42Å; E193-E214 PolarHBondContact N-O 2.64Å; E193-E214 PolarHBondContact O-N 2.77Å; E214-Q216 PolarHBondContact O-N 3.24Å
215R81.4Confident73Confident135 Ų13577.1 Ų77.151%0.50942%0.42SS..PPolyproline II helixtrans-64.1132.3169.5-72.4177.7-173.4-97.25.9106.2L90 V217L90-R215 HydrophobicContact CD1-CB 4.15Å; L90-R215 HydrophobicContact CD1-CG 3.5Å; L90-R215 VanDerWaalsContact CD1-N 3.25Å; L90-R215 HydrophobicContact CD2-CG 4.12Å; L90-R215 HydrophobicContact CG-CG 4.07Å; R215-V217 PolarHBondContact O-N 3.49Å
216Q66.8Low71.3Confident74 Ų7475.2 Ų75.235%0.34642%0.419SS..PPolyproline II helixtrans-53.9122.1162.6-177.6174.8-6.200106F190 E214 P218F190-Q216 HydrophobicContact CD1-CB 4.34Å; F190-Q216 HydrophobicContact CE1-CB 3.55Å; F190-Q216 HydrophobicContact CE2-CB 4.35Å; F190-Q216 HydrophobicContact CZ-CB 3.54Å; E214-Q216 PolarHBondContact O-N 3.24Å; Q216-P218 WeakPolarHBondContact O-CD 3.45Å
217V55.3Low69.6Low123 Ų12373.4 Ų73.475%0.74542%0.424SS*.  trans-52111175.3177.40000105.9R215 L219R215-V217 PolarHBondContact O-N 3.49Å; V217-L219 PolarHBondContact O-N 2.99Å
218P45.7Very low67.5Low103 Ų10373.9 Ų73.967%0.66944%0.441SS*.  trans-69.6108.5-177.1-13.728.3000106.1Q216 A220Q216-P218 WeakPolarHBondContact O-CD 3.45Å; P218-A220 PolarHBondContact O-N 2.87Å
219L47.8Very low65.2Low67 Ų6773 Ų7335%0.35144%0.439SS..  trans-68.595.6142.6-65.6174.1000103.4V217 L236V217-L219 PolarHBondContact O-N 2.99Å; L219-L236 HydrophobicContact CD1-CB 3.68Å; L219-L236 HydrophobicContact CD2-CB 3.89Å; L219-L236 HydrophobicContact CD2-CD1 3.41Å; L219-L236 VanDerWaalsContact CD2-CD1 3.41Å; L219-L236 HydrophobicContact CD2-CG 4.26Å; L219-L236 HydrophobicContact CG-CB 4.46Å
220A39.7Very low63.4Low34 Ų3477.3 Ų77.328%0.28146%0.455SS..  trans-49.5151.6178.200000109.1P218 M225 S233P218-A220 PolarHBondContact O-N 2.87Å; A220-M225 HydrophobicContact CB-CE 4.11Å; A220-M225 HydrophobicContact CB-CG 3.54Å; A220-M225 HydrophobicContact CB-SD 3.61Å; A220-M225 WeakPolarHBondContact O-CE 3.5Å; A220-S233 PolarHBondContact O-OG 2.87Å
221S44.9Very low61.4Low55 Ų5575.3 Ų75.339%0.38546%0.455SS..  trans-60.5145-179.277.40000109S223 S224S221-S223 PolarHBondContact O-N 2.81Å; S221-S223 PolarHBondContact OG-OG 2.84Å; S221-S224 PolarHBondContact O-N 2.91Å; S221-S224 PolarHBondContact O-OG 3.12Å; S221-S224 PolarHBondContact OG-N 2.94Å; S221-S224 PolarHBondContact OG-OG 2.84Å
222P48.7Very low59.6Low52 Ų5277.2 Ų77.234%0.33847%0.465SS..THydrogen-bonded Turntrans-54.4-26.1175.6-23.931.5000112.4R230P222-R230 HydrophobicContact CB-CG 4.18Å; P222-R230 WeakPolarHBondContact O-CD 3.33Å; P222-R230 WeakPolarHBondContact O-CG 3.48Å; P222-R230 PolarHBondContact O-NH1 2.94Å
223S50.7Low57.6Low105 Ų10573.7 Ų73.773%0.73444%0.441SS*.THydrogen-bonded Turntrans-75.6-21.517933.90000114.7S221S221-S223 PolarHBondContact O-N 2.81Å; S221-S223 PolarHBondContact OG-OG 2.84Å
224S47.9Very low55.6Low85 Ų8576.4 Ų76.459%0.59446%0.46SS*.THydrogen-bonded Turntrans-102.5-0.6178.568.50000114.7S221S221-S224 PolarHBondContact O-N 2.91Å; S221-S224 PolarHBondContact O-OG 3.12Å; S221-S224 PolarHBondContact OG-N 2.94Å; S221-S224 PolarHBondContact OG-OG 2.84Å
225M55.9Low53.8Low30 Ų3077 Ų7715%0.14846%0.458CS..SBendtrans-103.5155.7-174.3-76.7-168.2-69.900114.5A220 L229 R230 S233A220-M225 HydrophobicContact CB-CE 4.11Å; A220-M225 HydrophobicContact CB-CG 3.54Å; A220-M225 HydrophobicContact CB-SD 3.61Å; A220-M225 WeakPolarHBondContact O-CE 3.5Å; M225-L229 HydrophobicContact CB-CB 3.97Å; M225-L229 HydrophobicContact CG-CB 4.2Å; M225-L229 HydrophobicContact SD-CB 3.67Å; M225-R230 HydrophobicContact CB-CG 4.39Å; M225-R230 PolarHBondContact O-NH1 2.92Å; M225-S233 WeakPolarHBondContact CE-OG 3.26Å
226S59.8Low52.5Low68 Ų6873.5 Ų73.548%0.47645%0.449SS..  trans-62.4157.8168.271.10000110.9A228 L229 R230S226-A228 PolarHBondContact O-N 2.95Å; S226-A228 VanDerWaalsContact O-N 3.12Å; S226-L229 PolarHBondContact O-N 2.83Å; S226-L229 VanDerWaalsContact O-N 3.09Å; S226-R230 PolarHBondContact O-N 2.97Å
227A59.4Low51.7Low74 Ų7475.5 Ų75.561%0.61246%0.456SS*.Hα-helixtrans-56.9-30.9-175.600000114
228A53.5Low51.4Low77 Ų7775.3 Ų75.364%0.63645%0.448SS*.Hα-helixtrans-72.9-39.7177.200000112.9S226 G231S226-A228 PolarHBondContact O-N 2.95Å; S226-A228 VanDerWaalsContact O-N 3.12Å; A228-G231 PolarHBondContact O-N 3.29Å
229L49.8Very low51.5Low85 Ų8573.6 Ų73.645%0.44543%0.432SS..Hα-helixtrans-78.3-24.9179.1-71.7168.6000112.6M225 S226 G231 I232 S233M225-L229 HydrophobicContact CB-CB 3.97Å; M225-L229 HydrophobicContact CG-CB 4.2Å; M225-L229 HydrophobicContact SD-CB 3.67Å; S226-L229 PolarHBondContact O-N 2.83Å; S226-L229 VanDerWaalsContact O-N 3.09Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 3.48Å; L229-I232 HydrophobicContact CD2-CD1 4.12Å; L229-I232 PolarHBondContact O-N 3.38Å; L229-S233 WeakPolarHBondContact O-CB 3.33Å; L229-S233 PolarHBondContact O-N 3.02Å
230R59.1Low51.7Low102 Ų10274.6 Ų74.639%0.38544%0.435SS..Hα-helixtrans-56-44.5167-92.7-166.6-78.2-87.3-0.8112.2P222 M225 S226 I232 S233 C234P222-R230 HydrophobicContact CB-CG 4.18Å; P222-R230 WeakPolarHBondContact O-CD 3.33Å; P222-R230 WeakPolarHBondContact O-CG 3.48Å; P222-R230 PolarHBondContact O-NH1 2.94Å; M225-R230 HydrophobicContact CB-CG 4.39Å; M225-R230 PolarHBondContact O-NH1 2.92Å; S226-R230 PolarHBondContact O-N 2.97Å; R230-I232 VanDerWaalsContact C-N 3.32Å; R230-I232 PolarHBondContact O-N 3.06Å; R230-S233 PolarHBondContact O-N 3.17Å; R230-C234 WeakPolarHBondContact O-CB 3.21Å; R230-C234 PolarHBondContact O-N 2.84Å; R230-C234 PolarHBondContact O-SG 3.2Å; R230-C234 VanDerWaalsContact O-SG 3.33Å
231G55.2Low52Low45 Ų4578.5 Ų78.546%0.46445%0.448SS..Hα-helixtrans-60.9-42.117700000112.1A228 L229 Y235A228-G231 PolarHBondContact O-N 3.29Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 3.48Å; G231-Y235 VanDerWaalsContact O-CB 3.23Å; G231-Y235 WeakPolarHBondContact O-CB 3.38Å; G231-Y235 PolarHBondContact O-N 2.86Å
232I55Low51.8Low90 Ų9078.7 Ų78.746%0.46245%0.453SS..Hα-helixtrans-67.8-39.1178.1-66.9164.2000111.7L229 R230 Y235 L236L229-I232 HydrophobicContact CD2-CD1 4.12Å; L229-I232 PolarHBondContact O-N 3.38Å; R230-I232 VanDerWaalsContact C-N 3.32Å; R230-I232 PolarHBondContact O-N 3.06Å; I232-Y235 PolarHBondContact O-N 2.88Å; I232-L236 HydrophobicContact CG2-CD1 3.58Å; I232-L236 HydrophobicContact CG2-CG 4.36Å; I232-L236 VanDerWaalsContact O-CB 3.28Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 VanDerWaalsContact O-CG 3.24Å; I232-L236 WeakPolarHBondContact O-CG 3.31Å; I232-L236 PolarHBondContact O-N 2.82Å
233S51.1Low51.6Low6 Ų683.1 Ų83.14%0.04247%0.469CS..Hα-helixtrans-71.7-39.5177.1173.80000113.7A220 M225 L229 R230 Y235 L236 K237A220-S233 PolarHBondContact O-OG 2.87Å; M225-S233 WeakPolarHBondContact CE-OG 3.26Å; L229-S233 WeakPolarHBondContact O-CB 3.33Å; L229-S233 PolarHBondContact O-N 3.02Å; R230-S233 PolarHBondContact O-N 3.17Å; S233-Y235 VanDerWaalsContact C-N 3.34Å; S233-L236 PolarHBondContact O-N 2.85Å; S233-K237 WeakPolarHBondContact O-CB 3.11Å; S233-K237 PolarHBondContact O-N 2.76Å
234C50.9Low51.5Low64 Ų6484.7 Ų84.743%0.43247%0.465SS..Hα-helixtrans-63-43.9171.3-69.20000110.7R230 K237 E238R230-C234 WeakPolarHBondContact O-CB 3.21Å; R230-C234 PolarHBondContact O-N 2.84Å; R230-C234 PolarHBondContact O-SG 3.2Å; R230-C234 VanDerWaalsContact O-SG 3.33Å; C234-K237 PolarHBondContact O-N 3.28Å; C234-E238 VanDerWaalsContact O-CB 3.32Å; C234-E238 WeakPolarHBondContact O-CB 3.26Å; C234-E238 PolarHBondContact O-N 2.73Å
235Y51.1Low50.9Low142 Ų14281.3 Ų81.356%0.55744%0.444SS*.Hα-helixtrans-64.3-39.9176.4-175.3-106.2000112.5G231 I232 S233 E238 L239G231-Y235 VanDerWaalsContact O-CB 3.23Å; G231-Y235 WeakPolarHBondContact O-CB 3.38Å; G231-Y235 PolarHBondContact O-N 2.86Å; I232-Y235 PolarHBondContact O-N 2.88Å; S233-Y235 VanDerWaalsContact C-N 3.34Å; Y235-E238 CarbonylContact O-C 3.13Å; Y235-E238 WeakPolarHBondContact O-CB 3.49Å; Y235-E238 PolarHBondContact O-N 3.34Å; Y235-L239 HydrophobicContact CD1-CD1 3.66Å; Y235-L239 HydrophobicContact CD1-CG 4.34Å; Y235-L239 HydrophobicContact CE1-CD1 3.36Å; Y235-L239 HydrophobicContact CE1-CG 4.12Å; Y235-L239 WeakPolarHBondContact O-CB 3.23Å; Y235-L239 VanDerWaalsContact O-CG 3.25Å; Y235-L239 WeakPolarHBondContact O-CG 3.31Å; Y235-L239 PolarHBondContact O-N 2.85Å
236L53.8Low50Low63 Ų6386.6 Ų86.633%0.3348%0.48SS..Hα-helixtrans-75.1-31177.6-74165.8000112.9L219 I232 S233 L239 E240L219-L236 HydrophobicContact CD1-CB 3.68Å; L219-L236 HydrophobicContact CD2-CB 3.89Å; L219-L236 HydrophobicContact CD2-CD1 3.41Å; L219-L236 VanDerWaalsContact CD2-CD1 3.41Å; L219-L236 HydrophobicContact CD2-CG 4.26Å; L219-L236 HydrophobicContact CG-CB 4.46Å; I232-L236 HydrophobicContact CG2-CD1 3.58Å; I232-L236 HydrophobicContact CG2-CG 4.36Å; I232-L236 VanDerWaalsContact O-CB 3.28Å; I232-L236 WeakPolarHBondContact O-CB 3.44Å; I232-L236 VanDerWaalsContact O-CG 3.24Å; I232-L236 WeakPolarHBondContact O-CG 3.31Å; I232-L236 PolarHBondContact O-N 2.82Å; S233-L236 PolarHBondContact O-N 2.85Å; L236-L239 HydrophobicContact CD2-CD1 3.83Å; L236-L239 CarbonylContact O-C 3.58Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 PolarHBondContact O-N 3.35Å; L236-E240 PolarHBondContact O-N 2.93Å
237K51.1Low48.9Very low115 Ų11586.9 Ų86.950%0.549%0.493SS..Hα-helixtrans-71.5-37.2170.4-170.6176.2-176.5178.60111.4S233 C234 L239 E240 Q241S233-K237 WeakPolarHBondContact O-CB 3.11Å; S233-K237 PolarHBondContact O-N 2.76Å; C234-K237 PolarHBondContact O-N 3.28Å; K237-L239 VanDerWaalsContact C-N 3.28Å; K237-E240 PolarHBondContact O-N 2.89Å; K237-Q241 VanDerWaalsContact O-CB 3.27Å; K237-Q241 WeakPolarHBondContact O-CB 3.29Å; K237-Q241 VanDerWaalsContact O-CG 3.28Å; K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.24Å
238E47.7Very low48.2Very low120 Ų12089.9 Ų89.956%0.56150%0.498SS*.Hα-helixtrans-63.1-34.4165.3-88.4177.7149.300111.1C234 Y235 Q241 A242C234-E238 VanDerWaalsContact O-CB 3.32Å; C234-E238 WeakPolarHBondContact O-CB 3.26Å; C234-E238 PolarHBondContact O-N 2.73Å; Y235-E238 CarbonylContact O-C 3.13Å; Y235-E238 WeakPolarHBondContact O-CB 3.49Å; Y235-E238 PolarHBondContact O-N 3.34Å; E238-Q241 CarbonylContact O-C 3.56Å; E238-A242 WeakPolarHBondContact O-CA 3.32Å; E238-A242 WeakPolarHBondContact O-CB 3.38Å; E238-A242 PolarHBondContact O-N 3.31Å
239L48.9Very low47.8Very low67 Ų6794 Ų9435%0.35151%0.509SS..Hα-helixtrans-74.2-34.3173.7-74.3169000113Y235 L236 K237 A242 E243Y235-L239 HydrophobicContact CD1-CD1 3.66Å; Y235-L239 HydrophobicContact CD1-CG 4.34Å; Y235-L239 HydrophobicContact CE1-CD1 3.36Å; Y235-L239 HydrophobicContact CE1-CG 4.12Å; Y235-L239 WeakPolarHBondContact O-CB 3.23Å; Y235-L239 VanDerWaalsContact O-CG 3.25Å; Y235-L239 WeakPolarHBondContact O-CG 3.31Å; Y235-L239 PolarHBondContact O-N 2.85Å; L236-L239 HydrophobicContact CD2-CD1 3.83Å; L236-L239 CarbonylContact O-C 3.58Å; L236-L239 WeakPolarHBondContact O-CB 3.46Å; L236-L239 PolarHBondContact O-N 3.35Å; K237-L239 VanDerWaalsContact C-N 3.28Å; L239-A242 CarbonylContact O-C 3.5Å; L239-A242 PolarHBondContact O-N 3.32Å; L239-E243 WeakPolarHBondContact O-CB 3.43Å; L239-E243 WeakPolarHBondContact O-CG 3.24Å; L239-E243 PolarHBondContact O-N 2.92Å
240E52.4Low48.1Very low88 Ų8896 Ų9641%0.41152%0.516SS..Hα-helixtrans-69.3-36.9169.8-78.4-175.2161.500111L236 K237 A242 Q244L236-E240 PolarHBondContact O-N 2.93Å; K237-E240 PolarHBondContact O-N 2.89Å; E240-A242 VanDerWaalsContact C-N 3.3Å; E240-Q244 VanDerWaalsContact O-CG 3.32Å; E240-Q244 WeakPolarHBondContact O-CG 3.44Å; E240-Q244 PolarHBondContact O-N 3.05Å
241Q45.4Very low48.4Very low115 Ų11595 Ų9554%0.53752%0.516SS..Hα-helixtrans-71.2-23.8169.6-74.7177.3-8.300112.5K237 E238 Q244 G245K237-Q241 VanDerWaalsContact O-CB 3.27Å; K237-Q241 WeakPolarHBondContact O-CB 3.29Å; K237-Q241 VanDerWaalsContact O-CG 3.28Å; K237-Q241 WeakPolarHBondContact O-CG 3.45Å; K237-Q241 PolarHBondContact O-N 3.24Å; E238-Q241 CarbonylContact O-C 3.56Å; Q241-Q244 CarbonylContact O-C 3.58Å; Q241-Q244 WeakPolarHBondContact O-CA 3.28Å; Q241-Q244 WeakPolarHBondContact O-CB 3.46Å; Q241-Q244 PolarHBondContact O-N 3.46Å; Q241-G245 WeakPolarHBondContact O-CA 3.5Å; Q241-G245 PolarHBondContact O-N 3.01Å
242A40.8Very low49.8Very low60 Ų6095.1 Ų95.150%0.49650%0.502SS..Hα-helixtrans-92.2-19.3175.200000113E238 L239 E240 G245E238-A242 WeakPolarHBondContact O-CA 3.32Å; E238-A242 WeakPolarHBondContact O-CB 3.38Å; E238-A242 PolarHBondContact O-N 3.31Å; L239-A242 CarbonylContact O-C 3.5Å; L239-A242 PolarHBondContact O-N 3.32Å; E240-A242 VanDerWaalsContact C-N 3.3Å; A242-G245 WeakPolarHBondContact O-CA 3.28Å; A242-G245 PolarHBondContact O-N 2.89Å
243E44.8Very low51.5Low144 Ų14491.1 Ų91.167%0.67348%0.483SS*.Hα-helixtrans-72.3-25.2158.7-78.8-173.4171.900110.1L239L239-E243 WeakPolarHBondContact O-CB 3.43Å; L239-E243 WeakPolarHBondContact O-CG 3.24Å; L239-E243 PolarHBondContact O-N 2.92Å
244Q48.3Very low53.5Low138 Ų13891.6 Ų91.665%0.64548%0.484SS*.THydrogen-bonded Turntrans-87.611.3157.7-63169.618.300112.3E240 Q241E240-Q244 VanDerWaalsContact O-CG 3.32Å; E240-Q244 WeakPolarHBondContact O-CG 3.44Å; E240-Q244 PolarHBondContact O-N 3.05Å; Q241-Q244 CarbonylContact O-C 3.58Å; Q241-Q244 WeakPolarHBondContact O-CA 3.28Å; Q241-Q244 WeakPolarHBondContact O-CB 3.46Å; Q241-Q244 PolarHBondContact O-N 3.46Å
245G35.3Very low55.7Low15 Ų1588.5 Ų88.516%0.15546%0.463CS..  trans-72162.4-16700000113.8Q241 A242 G247Q241-G245 WeakPolarHBondContact O-CA 3.5Å; Q241-G245 PolarHBondContact O-N 3.01Å; A242-G245 WeakPolarHBondContact O-CA 3.28Å; A242-G245 PolarHBondContact O-N 2.89Å; G245-G247 PolarHBondContact O-N 2.9Å
246P36Very low57.9Low141 Ų14182.3 Ų82.392%0.91644%0.44SS*.THydrogen-bonded Turntrans-77.842.5-163.634.7-39000113.9
247G38.2Very low59.9Low73 Ų7379.3 Ų79.375%0.75342%0.424SS*.THydrogen-bonded Turntrans-146.3-11-172.400000117.1G245G245-G247 PolarHBondContact O-N 2.9Å
248L43.8Very low62.2Low137 Ų13774.5 Ų74.572%0.71741%0.405SS*.SBendtrans-100.287.8168-93.1152.5000107E250L248-E250 PolarHBondContact O-N 3Å; L248-E250 VanDerWaalsContact O-N 3.15Å
249L45.8Very low64.5Low163 Ų16368.8 Ų68.885%0.85338%0.378SS*.  trans12.192.4171.1-71.5163.4000112.3E251L249-E251 PolarHBondContact O-N 3.12Å
250E55.4Low66.8Low128 Ų12866.2 Ų66.260%0.59837%0.366SS*.  trans-40.6106.2176.7-73.8174.6154.500108.5L248 R252L248-E250 PolarHBondContact O-N 3Å; L248-E250 VanDerWaalsContact O-N 3.15Å; E250-R252 HydrophobicContact CB-CG 4.24Å; E250-R252 WeakPolarHBondContact O-CG 3.27Å; E250-R252 PolarHBondContact O-N 3.45Å; E250-R252 IonicContact OE2-CZ 3.8Å; E250-R252 VanDerWaalsContact OE2-CZ 3.28Å; E250-R252 IonicContact OE2-NE 3.12Å; E250-R252 PolarHBondContact OE2-NE 3.48Å; E250-R252 IonicContact OE2-NH2 3.4Å; E250-R252 PolarHBondContact OE2-NH2 2.8Å
251E65.5Low68.9Low82 Ų8262.4 Ų62.438%0.38335%0.348SS..  trans-67.194.7-178.9-88.7-164.4136.200106.2K173 L249 G253 R254K173-E251 IonicContact NZ-OE1 3.48Å; K173-E251 PolarHBondContact NZ-OE1 3.43Å; K173-E251 IonicContact NZ-OE2 2.74Å; K173-E251 PolarHBondContact NZ-OE2 2.76Å; L249-E251 PolarHBondContact O-N 3.12Å; E251-G253 PolarHBondContact O-N 2.77Å; E251-R254 IonicContact OE1-CZ 2.86Å; E251-R254 IonicContact OE1-NE 2.68Å; E251-R254 IonicContact OE1-NH2 3.09Å; E251-R254 PolarHBondContact OE1-NH2 2.81Å
252R84.4Confident71.3Confident47 Ų4757.3 Ų57.318%0.17733%0.325CS..  trans-77.213-177.9-54.9-144.7169.5-151.70112.6E250 A279 I352 L386E250-R252 HydrophobicContact CB-CG 4.24Å; E250-R252 WeakPolarHBondContact O-CG 3.27Å; E250-R252 PolarHBondContact O-N 3.45Å; E250-R252 IonicContact OE2-CZ 3.8Å; E250-R252 VanDerWaalsContact OE2-CZ 3.28Å; E250-R252 IonicContact OE2-NE 3.12Å; E250-R252 PolarHBondContact OE2-NE 3.48Å; E250-R252 IonicContact OE2-NH2 3.4Å; E250-R252 PolarHBondContact OE2-NH2 2.8Å; R252-A279 PolarHBondContact O-N 3.42Å; R252-I352 WeakPolarHBondContact CD-O 3.23Å; R252-I352 PolarHBondContact NH1-O 3.44Å; R252-L386 HydrophobicContact CB-CB 4.3Å
253G90.8Very high73.7Confident5 Ų557.1 Ų57.15%0.05232%0.32CS..  trans88.9-172.4-172.500000113.7E251 A276 H277 L386E251-G253 PolarHBondContact O-N 2.77Å; G253-A276 CarbonylContact C-O 3.44Å; G253-A276 VanDerWaalsContact CA-O 3.25Å; G253-A276 WeakPolarHBondContact CA-O 3.32Å; G253-H277 WeakPolarHBondContact CA-O 3.43Å; G253-H277 PolarHBondContact N-O 2.9Å; G253-L386 WeakPolarHBondContact O-CB 3.44Å; G253-L386 PolarHBondContact O-N 3.35Å
254R93.1Very high76Confident16 Ų1660.9 Ų60.96%0.0633%0.327CS..EExtended strand (participates in β ladder)trans-137.4153.1-174.1-54.8-175.9-176-175.1-0109.6G164 T166 D169 E251 C275 A276 W383 H384G164-R254 WeakPolarHBondContact O-CD 3.28Å; G164-R254 PolarHBondContact O-NH1 3.21Å; T166-R254 PolarHBondContact OG1-NH1 3.01Å; D169-R254 VanDerWaalsContact CG-NH2 3.26Å; D169-R254 IonicContact OD1-CZ 2.69Å; D169-R254 IonicContact OD1-NH1 2.76Å; D169-R254 IonicContact OD1-NH2 3.07Å; D169-R254 PolarHBondContact OD1-NH2 3.46Å; D169-R254 IonicContact OD2-CZ 3.72Å; D169-R254 IonicContact OD2-NH1 3.85Å; D169-R254 PolarHBondContact OD2-NH1 3.45Å; D169-R254 IonicContact OD2-NH2 3.34Å; D169-R254 PolarHBondContact OD2-NH2 3.45Å; D169-R254 VanDerWaalsContact OD2-NH2 3.09Å; E251-R254 IonicContact OE1-CZ 2.86Å; E251-R254 IonicContact OE1-NE 2.68Å; E251-R254 IonicContact OE1-NH2 3.09Å; E251-R254 PolarHBondContact OE1-NH2 2.81Å; R254-C275 CarbonylContact O-C 3.54Å; R254-C275 WeakPolarHBondContact O-CA 3.33Å; R254-C275 VanDerWaalsContact O-CB 3.26Å; R254-C275 WeakPolarHBondContact O-CB 3.41Å; R254-A276 PolarHBondContact N-O 3.24Å; R254-A276 PolarHBondContact O-N 2.94Å; R254-W383 HydrophobicContact CB-CE3 3.92Å; R254-W383 HydrophobicContact CB-CZ3 4.31Å; R254-H384 CarbonylContact C-O 3.59Å; R254-H384 WeakPolarHBondContact CA-O 3.3Å; R254-H384 WeakPolarHBondContact CB-O 3.43Å
255I96.4Very high78.2Confident0 Ų059.9 Ų59.90%032%0.318CS..EExtended strand (participates in β ladder)trans-124.8133.5178.3-172.1165.1000110.1L257 I272 V291 V338 V340 V355 W383 H384 L386I255-L257 HydrophobicContact CD1-CD2 3.78Å; I255-L257 HydrophobicContact CG1-CD2 3.79Å; I255-L257 HydrophobicContact CG1-CG 4.22Å; I255-L257 HydrophobicContact CG2-CD1 4.41Å; I255-L257 HydrophobicContact CG2-CG 4.25Å; I255-I272 HydrophobicContact CD1-CG2 4.27Å; I255-V291 HydrophobicContact CD1-CG1 4.07Å; I255-V291 HydrophobicContact CD1-CG2 4.02Å; I255-V338 HydrophobicContact CD1-CG1 3.89Å; I255-V340 HydrophobicContact CD1-CG2 4.06Å; I255-V355 HydrophobicContact CG2-CG1 4.1Å; I255-W383 CarbonylContact O-C 3.52Å; I255-W383 WeakPolarHBondContact O-CA 3.48Å; I255-H384 HydrophobicContact CG2-CB 4.14Å; I255-H384 PolarHBondContact N-O 3.41Å; I255-H384 PolarHBondContact O-N 2.91Å; I255-L386 HydrophobicContact CB-CD2 4.19Å; I255-L386 HydrophobicContact CG2-CD2 3.7Å; I255-L386 HydrophobicContact CG2-CG 4.45Å
256L97.2Very high81Confident12 Ų1265.8 Ų65.86%0.06334%0.336CS..EExtended strand (participates in β ladder)trans-93.3117.5171.6-178.659.3000108.7L273 R274 E381 R382 W383L256-L273 HydrophobicContact CB-CB 4.35Å; L256-L273 HydrophobicContact CD2-CB 4.15Å; L256-L273 HydrophobicContact CD2-CD1 3.93Å; L256-L273 HydrophobicContact CG-CB 4.11Å; L256-L273 HydrophobicContact CG-CD1 3.96Å; L256-L273 HydrophobicContact CG-CG 4.5Å; L256-L273 PolarHBondContact O-N 2.85Å; L256-L273 VanDerWaalsContact O-N 3.17Å; L256-R274 HydrophobicContact CB-CG 4.05Å; L256-R274 HydrophobicContact CD2-CG 4.13Å; L256-R274 PolarHBondContact N-O 2.67Å; L256-E381 HydrophobicContact CD1-CB 4.3Å; L256-R382 VanDerWaalsContact CD1-C 3.48Å; L256-W383 HydrophobicContact CB-CD2 3.83Å; L256-W383 HydrophobicContact CB-CE3 3.76Å; L256-W383 HydrophobicContact CB-CH2 3.84Å; L256-W383 HydrophobicContact CB-CZ2 3.88Å; L256-W383 HydrophobicContact CB-CZ3 3.77Å; L256-W383 HydrophobicContact CD1-CD2 4.08Å; L256-W383 HydrophobicContact CD1-CG 4.04Å; L256-W383 HydrophobicContact CD2-CZ2 3.99Å; L256-W383 HydrophobicContact CG-CD2 4.43Å; L256-W383 HydrophobicContact CG-CZ2 4.39Å
257L97.6Very high83.8Confident0 Ų059.1 Ų59.10%029%0.292CS..EExtended strand (participates in β ladder)trans-113.5141.4-180-61.1177.5000109.9I255 G271 I272 V338 V355 L357 H368 E381 R382I255-L257 HydrophobicContact CD1-CD2 3.78Å; I255-L257 HydrophobicContact CG1-CD2 3.79Å; I255-L257 HydrophobicContact CG1-CG 4.22Å; I255-L257 HydrophobicContact CG2-CD1 4.41Å; I255-L257 HydrophobicContact CG2-CG 4.25Å; L257-G271 CarbonylContact C-O 3.58Å; L257-G271 WeakPolarHBondContact CA-O 3.47Å; L257-I272 HydrophobicContact CD2-CD1 3.41Å; L257-I272 VanDerWaalsContact CD2-CD1 3.41Å; L257-V338 HydrophobicContact CD1-CB 4.45Å; L257-V338 HydrophobicContact CD1-CG2 3.96Å; L257-V338 HydrophobicContact CD2-CG1 4.21Å; L257-V355 HydrophobicContact CD1-CG1 4.14Å; L257-L357 HydrophobicContact CD1-CD1 3.85Å; L257-L357 HydrophobicContact CD1-CD2 4.4Å; L257-H368 PolarHBondContact O-CE1 3.5Å; L257-E381 CarbonylContact O-C 3.52Å; L257-E381 VanDerWaalsContact O-CA 3.31Å; L257-E381 WeakPolarHBondContact O-CA 3.32Å; L257-R382 PolarHBondContact N-O 2.96Å; L257-R382 PolarHBondContact O-N 3.38Å
258S97.6Very high86.6Confident14 Ų1455.6 Ų55.610%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-106.6124.8166.2-172.50000109.4V270 G271 L380S258-V270 CarbonylContact O-C 3.48Å; S258-G271 PolarHBondContact N-O 2.94Å; S258-G271 PolarHBondContact O-N 2.8Å; S258-L380 CarbonylContact C-O 3.47Å; S258-L380 WeakPolarHBondContact CA-O 3.06Å
259L97.4Very high89.1Confident0 Ų050.1 Ų50.10%023%0.227CC..EExtended strand (participates in β ladder)trans-117.3133.2173.9-63.6-175.2000110.3V270 L336 L357 W369 C372 L380L259-V270 HydrophobicContact CD2-CB 4.3Å; L259-V270 HydrophobicContact CD2-CG1 4.04Å; L259-V270 HydrophobicContact CD2-CG2 3.91Å; L259-L336 HydrophobicContact CD2-CD2 3.67Å; L259-L357 HydrophobicContact CD1-CD2 4.01Å; L259-W369 HydrophobicContact CD1-CE3 4.07Å; L259-C372 HydrophobicContact CB-CB 4.05Å; L259-L380 PolarHBondContact N-O 2.81Å; L259-L380 PolarHBondContact O-N 3Å
260S96.6Very high91.6Very high13 Ų1342.4 Ų42.49%0.09119%0.187CC..EExtended strand (participates in β ladder)trans-147129172.6-169.30000110.7L269 A378S260-L269 PolarHBondContact N-O 2.86Å; S260-L269 WeakPolarHBondContact O-CB 3.41Å; S260-L269 PolarHBondContact O-N 2.84Å; S260-A378 WeakPolarHBondContact CA-O 3.25Å; S260-A378 WeakPolarHBondContact CB-O 3.35Å; S260-A378 PolarHBondContact OG-O 2.55Å
261Y96.6Very high93.7Very high8 Ų836.5 Ų36.53%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-90.7114.3168.8-173.9-97.5000109.7S263 I326 L328 L331 P376 D377Y261-S263 PolarHBondContact O-N 3.25Å; Y261-I326 VanDerWaalsContact CE2-O 3.25Å; Y261-I326 WeakPolarHBondContact CE2-O 3.5Å; Y261-I326 PolarHBondContact OH-O 3.46Å; Y261-L328 HydrophobicContact CD1-CB 4.46Å; Y261-L328 HydrophobicContact CD1-CD1 3.84Å; Y261-L328 HydrophobicContact CD2-CD1 4.11Å; Y261-L328 HydrophobicContact CE1-CB 3.83Å; Y261-L328 HydrophobicContact CE1-CD1 4.07Å; Y261-L328 HydrophobicContact CE1-CG 4.4Å; Y261-L328 HydrophobicContact CE2-CB 4.36Å; Y261-L328 HydrophobicContact CE2-CD1 4.32Å; Y261-L328 HydrophobicContact CG-CD1 3.85Å; Y261-L328 PolarHBondContact OH-N 3.12Å; Y261-L331 HydrophobicContact CD2-CD2 3.39Å; Y261-L331 HydrophobicContact CE2-CD2 3.82Å; Y261-L331 HydrophobicContact CG-CD2 4.36Å; Y261-P376 HydrophobicContact CD1-CB 4.19Å; Y261-D377 PolarHBondContact O-N 2.84Å
262S95.4Very high95.2Very high8 Ų832.6 Ų32.66%0.05614%0.142CC..EExtended strand (participates in β ladder)trans-84.4111.2176.3-175.30000110.6R264 R265 R266 G267 D377S262-R264 VanDerWaalsContact C-N 3.26Å; S262-R264 PolarHBondContact O-N 2.92Å; S262-R265 PolarHBondContact O-N 2.96Å; S262-R265 PolarHBondContact OG-N 2.87Å; S262-R266 WeakPolarHBondContact O-CA 3.28Å; S262-R266 PolarHBondContact O-N 3.34Å; S262-G267 PolarHBondContact N-O 3.48Å; S262-G267 PolarHBondContact O-N 2.74Å; S262-D377 WeakPolarHBondContact CA-OD1 3.13Å
263S92.4Very high95.8Very high56 Ų5631.8 Ų31.839%0.39214%0.141SC..THydrogen-bonded Turntrans-63.4-37.8177-530000111.2Y261 R266 P376 D377Y261-S263 PolarHBondContact O-N 3.25Å; S263-R266 PolarHBondContact O-N 3.46Å; S263-P376 WeakPolarHBondContact OG-CB 3.18Å; S263-D377 WeakPolarHBondContact CB-OD2 3.33Å; S263-D377 PolarHBondContact N-OD1 2.96Å; S263-D377 PolarHBondContact OG-OD2 2.86Å
264R92.6Very high96.1Very high222 Ų22234.6 Ų34.684%0.83815%0.15SC*.THydrogen-bonded Turntrans-65.8-41.8179.6178.2178.556.2-172.1-6.5112.6S262S262-R264 VanDerWaalsContact C-N 3.26Å; S262-R264 PolarHBondContact O-N 2.92Å
265R93.6Very high96.3Very high117 Ų11734 Ų3444%0.44215%0.148SC..THydrogen-bonded Turntrans-91.1-6.9-179-63.1177.963.1-175-1.4112.8S262 F323S262-R265 PolarHBondContact O-N 2.96Å; S262-R265 PolarHBondContact OG-N 2.87Å; R265-F323 HydrophobicContact CB-CE2 3.75Å; R265-F323 HydrophobicContact CB-CZ 3.71Å; R265-F323 VanDerWaalsContact NH2-CG 3.32Å
266R94.6Very high96.2Very high140 Ų14034.1 Ų34.153%0.52815%0.149SC..THydrogen-bonded Turntrans49.957.9-174.2-58.1179.981.4-173.19.1111.4S262 S263 I326 E327S262-R266 WeakPolarHBondContact O-CA 3.28Å; S262-R266 PolarHBondContact O-N 3.34Å; S263-R266 PolarHBondContact O-N 3.46Å; R266-I326 CarbonylContact C-O 3.47Å; R266-I326 CarbonylContact O-C 3.48Å; R266-I326 PolarHBondContact O-N 3.37Å; R266-E327 IonicContact CZ-OE1 2.71Å; R266-E327 IonicContact CZ-OE2 3.2Å; R266-E327 VanDerWaalsContact NE-CD 3.32Å; R266-E327 IonicContact NE-OE1 2.79Å; R266-E327 PolarHBondContact NE-OE1 2.55Å; R266-E327 IonicContact NE-OE2 3.09Å; R266-E327 PolarHBondContact NE-OE2 2.87Å; R266-E327 VanDerWaalsContact NE-OE2 3.09Å; R266-E327 IonicContact NH1-OE1 3.38Å; R266-E327 PolarHBondContact NH1-OE1 2.9Å; R266-E327 IonicContact NH2-OE1 3.62Å; R266-E327 PolarHBondContact NH2-OE1 2.85Å; R266-E327 IonicContact NH2-OE2 2.75Å; R266-E327 PolarHBondContact NH2-OE2 2.69Å
267G95.4Very high95.9Very high0 Ų034.1 Ų34.10%015%0.149CC..EExtended strand (participates in β ladder)trans-168.4159.7-178.500000115S262 Y324S262-G267 PolarHBondContact N-O 3.48Å; S262-G267 PolarHBondContact O-N 2.74Å; G267-Y324 CarbonylContact C-O 3.6Å; G267-Y324 WeakPolarHBondContact CA-O 3.33Å
268L96.6Very high95.7Very high0 Ų034.2 Ų34.20%015%0.149CC..EExtended strand (participates in β ladder)trans-85.6126.7177.6176.572000110V270 L295 F323 Y324 I326 L331 L336 W369L268-V270 HydrophobicContact CD2-CG2 3.54Å; L268-V270 HydrophobicContact CG-CG2 3.73Å; L268-L295 HydrophobicContact CD2-CD2 4.28Å; L268-F323 WeakPolarHBondContact O-CA 3.1Å; L268-Y324 HydrophobicContact CD2-CD2 4.38Å; L268-Y324 PolarHBondContact N-O 3.03Å; L268-Y324 PolarHBondContact O-N 2.87Å; L268-I326 HydrophobicContact CB-CG2 4.46Å; L268-L331 HydrophobicContact CB-CD1 4.25Å; L268-L331 HydrophobicContact CB-CD2 4.04Å; L268-L331 HydrophobicContact CD1-CD2 4.3Å; L268-L331 HydrophobicContact CD2-CD1 4.06Å; L268-L336 HydrophobicContact CD2-CD2 4.48Å; L268-W369 HydrophobicContact CD2-CH2 4.04Å; L268-W369 HydrophobicContact CD2-CZ3 3.96Å
269L97.1Very high95.3Very high22 Ų2234.8 Ų34.812%0.11516%0.155CC..EExtended strand (participates in β ladder)trans-94.7125.5166.3-62.9165.8000108.6S260 E321 F322 F323S260-L269 PolarHBondContact N-O 2.86Å; S260-L269 WeakPolarHBondContact O-CB 3.41Å; S260-L269 PolarHBondContact O-N 2.84Å; L269-E321 HydrophobicContact CB-CG 4.39Å; L269-E321 HydrophobicContact CD2-CG 4.29Å; L269-E321 WeakPolarHBondContact CD2-OE1 3.49Å; L269-F322 WeakPolarHBondContact CA-O 3.33Å; L269-F323 HydrophobicContact CD2-CB 4.02Å; L269-F323 HydrophobicContact CD2-CD2 3.48Å; L269-F323 VanDerWaalsContact CD2-CD2 3.48Å; L269-F323 HydrophobicContact CD2-CE2 4.41Å; L269-F323 HydrophobicContact CD2-CG 4.18Å; L269-F323 HydrophobicContact CG-CD2 4.12Å
270V98Very high94.9Very high0 Ų037 Ų370%017%0.173CC..EExtended strand (participates in β ladder)trans-118.8103.3177.5-177.20000108.3S258 L259 L268 I272 T293 E321 F322 Y324 L336S258-V270 CarbonylContact O-C 3.48Å; L259-V270 HydrophobicContact CD2-CB 4.3Å; L259-V270 HydrophobicContact CD2-CG1 4.04Å; L259-V270 HydrophobicContact CD2-CG2 3.91Å; L268-V270 HydrophobicContact CD2-CG2 3.54Å; L268-V270 HydrophobicContact CG-CG2 3.73Å; V270-I272 HydrophobicContact CG1-CD1 3.98Å; V270-T293 HydrophobicContact CG1-CG2 4.37Å; V270-E321 WeakPolarHBondContact O-CA 3.47Å; V270-F322 PolarHBondContact N-O 2.83Å; V270-F322 PolarHBondContact O-N 2.77Å; V270-Y324 HydrophobicContact CB-CE2 4.27Å; V270-Y324 HydrophobicContact CG2-CD2 3.82Å; V270-Y324 HydrophobicContact CG2-CE2 3.69Å; V270-L336 HydrophobicContact CG1-CD2 3.96Å; V270-L336 HydrophobicContact CG2-CD1 4.22Å; V270-L336 HydrophobicContact CG2-CD2 3.8Å
271G98Very high94.6Very high4 Ų439.3 Ų39.34%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-84.9120.7171.900000111.3L257 S258 E320L257-G271 CarbonylContact C-O 3.58Å; L257-G271 WeakPolarHBondContact CA-O 3.47Å; S258-G271 PolarHBondContact N-O 2.94Å; S258-G271 PolarHBondContact O-N 2.8Å; G271-E320 CarbonylContact C-O 3.51Å; G271-E320 WeakPolarHBondContact CA-O 3.28Å
272I98.3Very high94.1Very high0 Ų040.4 Ų40.40%019%0.19CC..EExtended strand (participates in β ladder)trans-94.798.3167.5-51.4-53.1000107.1I255 L257 V270 V291 T293 T307 F318 N319 E320 F322 V338I255-I272 HydrophobicContact CD1-CG2 4.27Å; L257-I272 HydrophobicContact CD2-CD1 3.41Å; L257-I272 VanDerWaalsContact CD2-CD1 3.41Å; V270-I272 HydrophobicContact CG1-CD1 3.98Å; I272-V291 HydrophobicContact CD1-CG1 4.17Å; I272-V291 HydrophobicContact CG1-CG1 4.35Å; I272-V291 HydrophobicContact CG2-CB 4.01Å; I272-V291 HydrophobicContact CG2-CG1 4.16Å; I272-V291 HydrophobicContact CG2-CG2 3.81Å; I272-T293 HydrophobicContact CD1-CG2 3.81Å; I272-T293 HydrophobicContact CG1-CG2 4.36Å; I272-T307 HydrophobicContact CB-CG2 4.12Å; I272-T307 HydrophobicContact CG1-CG2 4.15Å; I272-T307 HydrophobicContact CG2-CG2 4.06Å; I272-F318 HydrophobicContact CG2-CB 4.06Å; I272-F318 HydrophobicContact CG2-CD2 3.83Å; I272-F318 HydrophobicContact CG2-CG 4.08Å; I272-F318 WeakPolarHBondContact O-CB 3.4Å; I272-N319 WeakPolarHBondContact O-CA 3.03Å; I272-N319 PolarHBondContact O-N 3.01Å; I272-E320 PolarHBondContact N-O 2.83Å; I272-E320 PolarHBondContact O-N 3.43Å; I272-F322 HydrophobicContact CG1-CD2 4.15Å; I272-F322 HydrophobicContact CG1-CE2 3.91Å; I272-V338 HydrophobicContact CD1-CG1 4.24Å
273L97.4Very high93.6Very high30 Ų3047.8 Ų47.816%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-83.2-65.2-173-59.2-174.5000110.7L256 F318 N319 E381L256-L273 HydrophobicContact CB-CB 4.35Å; L256-L273 HydrophobicContact CD2-CB 4.15Å; L256-L273 HydrophobicContact CD2-CD1 3.93Å; L256-L273 HydrophobicContact CG-CB 4.11Å; L256-L273 HydrophobicContact CG-CD1 3.96Å; L256-L273 HydrophobicContact CG-CG 4.5Å; L256-L273 PolarHBondContact O-N 2.85Å; L256-L273 VanDerWaalsContact O-N 3.17Å; L273-F318 PolarHBondContact O-N 2.94Å; L273-N319 PolarHBondContact O-N 2.68Å; L273-N319 PolarHBondContact O-OD1 3.13Å; L273-E381 VanDerWaalsContact CD1-CD 3.46Å; L273-E381 HydrophobicContact CD1-CG 3.88Å
274R97Very high93.2Very high65 Ų6548.8 Ų48.825%0.24524%0.235CC..EExtended strand (participates in β ladder)trans-161.3163.9-177.257-178.9174.1167.22.2112.5S163 L256 P316 E317 W383S163-R274 PolarHBondContact OG-NH1 3.32Å; L256-R274 HydrophobicContact CB-CG 4.05Å; L256-R274 HydrophobicContact CD2-CG 4.13Å; L256-R274 PolarHBondContact N-O 2.67Å; R274-P316 CarbonylContact C-O 3.6Å; R274-P316 WeakPolarHBondContact CA-O 3.24Å; R274-P316 VanDerWaalsContact CB-O 3.26Å; R274-P316 WeakPolarHBondContact CB-O 3.38Å; R274-E317 HydrophobicContact CB-CB 4.39Å; R274-E317 HydrophobicContact CB-CG 4.02Å; R274-W383 HydrophobicContact CG-CH2 3.9Å; R274-W383 HydrophobicContact CG-CZ2 4.41Å
275C96.8Very high92.8Very high3 Ų339.3 Ų39.32%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-113.1156.6165.9-58.20000111R254 L278 N315 P316R254-C275 CarbonylContact O-C 3.54Å; R254-C275 WeakPolarHBondContact O-CA 3.33Å; R254-C275 VanDerWaalsContact O-CB 3.26Å; R254-C275 WeakPolarHBondContact O-CB 3.41Å; C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.68Å; C275-L278 HydrophobicContact CB-CG 3.76Å; C275-N315 CarbonylContact O-C 3.59Å; C275-N315 WeakPolarHBondContact O-CA 3.1Å; C275-P316 HydrophobicContact CB-CG 3.75Å; C275-P316 PolarHBondContact N-O 2.84Å
276A94Very high92.6Very high2 Ų237.2 Ų37.22%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-130.8141.6173.700000110.2S163 G253 R254 L278 N315 W383S163-A276 WeakPolarHBondContact O-CB 3.41Å; G253-A276 CarbonylContact C-O 3.44Å; G253-A276 VanDerWaalsContact CA-O 3.25Å; G253-A276 WeakPolarHBondContact CA-O 3.32Å; R254-A276 PolarHBondContact N-O 3.24Å; R254-A276 PolarHBondContact O-N 2.94Å; A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 2.69Å; A276-N315 WeakPolarHBondContact CA-OD1 3.5Å; A276-W383 HydrophobicContact CB-CH2 3.78Å; A276-W383 HydrophobicContact CB-CZ3 3.75Å
277H91.1Very high92.5Very high13 Ų1330.6 Ų30.66%0.0617%0.174CC..SBendtrans57.837.8171.8-44.3144.4000114.4A140 Y162 S163 G253 L314 N315A140-H277 HydrophobicContact CB-CB 4.33Å; Y162-H277 AromaticContact CD1-NE2 3.58Å; S163-H277 PolarHBondContact O-CE1 2.68Å; G253-H277 WeakPolarHBondContact CA-O 3.43Å; G253-H277 PolarHBondContact N-O 2.9Å; H277-L314 PolarHBondContact N-O 3.05Å; H277-N315 PolarHBondContact N-OD1 2.96Å
278L92.8Very high92.5Very high1 Ų131.7 Ų31.71%0.00518%0.18CC..PPolyproline II helixtrans-59.5148.7178.9-64.7-177.3000111.8A140 C275 A276 P289 L314 P316 V340 I352 L386A140-L278 VanDerWaalsContact CB-O 3.31Å; A140-L278 WeakPolarHBondContact CB-O 3.46Å; C275-L278 HydrophobicContact CB-CD1 3.84Å; C275-L278 HydrophobicContact CB-CD2 3.68Å; C275-L278 HydrophobicContact CB-CG 3.76Å; A276-L278 VanDerWaalsContact C-N 3.33Å; A276-L278 PolarHBondContact O-N 2.69Å; L278-P289 HydrophobicContact CD1-CB 3.65Å; L278-P289 HydrophobicContact CD1-CG 3.92Å; L278-L314 HydrophobicContact CB-CB 4.35Å; L278-L314 HydrophobicContact CB-CD2 4.33Å; L278-L314 WeakPolarHBondContact CB-O 3.49Å; L278-L314 PolarHBondContact N-O 3.07Å; L278-P316 HydrophobicContact CD1-CG 3.78Å; L278-V340 HydrophobicContact CD1-CG1 4.21Å; L278-V340 HydrophobicContact CD2-CG1 4.4Å; L278-I352 HydrophobicContact CD2-CG2 4.31Å; L278-L386 HydrophobicContact CD2-CD1 3.5Å
279A89.6Confident92.6Very high27 Ų2731.7 Ų31.722%0.22318%0.18CC..PPolyproline II helixtrans-63.7144.116800000110.3R252 M281 S287 I352R252-A279 PolarHBondContact O-N 3.42Å; A279-M281 HydrophobicContact CB-SD 4.36Å; A279-S287 PolarHBondContact O-OG 3.48Å; A279-I352 HydrophobicContact CB-CG2 4.47Å
280A89.7Confident92.6Very high45 Ų4530.7 Ų30.737%0.37217%0.174SC..PPolyproline II helixtrans-89118173.700000109.6G285 L314A280-G285 WeakPolarHBondContact CB-O 3.31Å; A280-L314 HydrophobicContact CB-CD1 4.16Å; A280-L314 HydrophobicContact CB-CD2 4.04Å
281M89.3Confident92.6Very high63 Ų6330.7 Ų30.731%0.3117%0.174SC..  trans-98.3-24.5177.7-46.8-62.3-68.300112.2A279 Y286 S287 D342 D350 I352A279-M281 HydrophobicContact CB-SD 4.36Å; M281-Y286 PolarHBondContact N-O 3.17Å; M281-S287 PolarHBondContact N-OG 2.97Å; M281-D342 HydrophobicContact CB-CB 4.15Å; M281-D342 VanDerWaalsContact CB-OD2 3.31Å; M281-D342 WeakPolarHBondContact CB-OD2 3.27Å; M281-D342 HydrophobicContact CG-CB 4.18Å; M281-D350 HydrophobicContact CB-CB 4.14Å; M281-D350 HydrophobicContact CE-CB 3.98Å; M281-D350 HydrophobicContact CG-CB 4.28Å; M281-I352 HydrophobicContact CG-CD1 4.46Å; M281-I352 HydrophobicContact CG-CG1 3.76Å
282D87.4Confident92.6Very high31 Ų3131.4 Ų31.417%0.16618%0.176CC..SBendtrans-76149.9176.4-73.5-31.7000112.9N284 G285 Y286D282-N284 HydrophobicContact CB-CB 4.45Å; D282-N284 VanDerWaalsContact CB-CG 3.48Å; D282-N284 WeakPolarHBondContact CB-ND2 2.95Å; D282-N284 WeakPolarHBondContact CB-OD1 3.36Å; D282-N284 PolarHBondContact O-N 2.89Å; D282-N284 PolarHBondContact OD2-ND2 2.78Å; D282-G285 WeakPolarHBondContact O-CA 3.36Å; D282-G285 PolarHBondContact O-N 3.11Å; D282-Y286 VanDerWaalsContact CB-O 3.26Å; D282-Y286 WeakPolarHBondContact CB-O 3.08Å; D282-Y286 PolarHBondContact N-O 3.19Å
283V84.7Confident92.5Very high162 Ų16231.4 Ų31.498%0.98218%0.176SC*.THydrogen-bonded Turntrans-58.3-22.8169.6-137.10000113.1G285V283-G285 PolarHBondContact O-N 3.47Å
284N83.2Confident92.3Very high78 Ų7831.8 Ų31.842%0.41718%0.176SC..THydrogen-bonded Turntrans-76-4.7176.770.237.1000112.6K139 D282 Y286K139-N284 PolarHBondContact NZ-O 2.98Å; D282-N284 HydrophobicContact CB-CB 4.45Å; D282-N284 VanDerWaalsContact CB-CG 3.48Å; D282-N284 WeakPolarHBondContact CB-ND2 2.95Å; D282-N284 WeakPolarHBondContact CB-OD1 3.36Å; D282-N284 PolarHBondContact O-N 2.89Å; D282-N284 PolarHBondContact OD2-ND2 2.78Å; N284-Y286 WeakPolarHBondContact O-CD2 3.03Å; N284-Y286 WeakPolarHBondContact OD1-CA 3.46Å; N284-Y286 VanDerWaalsContact OD1-CB 3.23Å; N284-Y286 WeakPolarHBondContact OD1-CB 3.33Å; N284-Y286 WeakPolarHBondContact OD1-CD2 3.42Å; N284-Y286 PolarHBondContact OD1-N 3.29Å
285G84.6Confident92.2Very high22 Ų2229.2 Ų29.223%0.22717%0.167CC..SBendtrans75.622.4-177.800000114.3K139 A280 D282 V283K139-G285 WeakPolarHBondContact CD-O 3.41Å; A280-G285 WeakPolarHBondContact CB-O 3.31Å; D282-G285 WeakPolarHBondContact O-CA 3.36Å; D282-G285 PolarHBondContact O-N 3.11Å; V283-G285 PolarHBondContact O-N 3.47Å
286Y89.6Confident91.9Very high74 Ų7433.5 Ų33.529%0.2918%0.183SC..  trans-127-168.9171.8-63.6-84.8000109.6K139 M281 D282 N284 K312 L314K139-Y286 HydrophobicContact CD-CD1 4.42Å; K139-Y286 HydrophobicContact CD-CE1 4.05Å; K139-Y286 HydrophobicContact CD-CE2 4.21Å; K139-Y286 WeakPolarHBondContact CE-OH 3.33Å; M281-Y286 PolarHBondContact N-O 3.17Å; D282-Y286 VanDerWaalsContact CB-O 3.26Å; D282-Y286 WeakPolarHBondContact CB-O 3.08Å; D282-Y286 PolarHBondContact N-O 3.19Å; N284-Y286 WeakPolarHBondContact O-CD2 3.03Å; N284-Y286 WeakPolarHBondContact OD1-CA 3.46Å; N284-Y286 VanDerWaalsContact OD1-CB 3.23Å; N284-Y286 WeakPolarHBondContact OD1-CB 3.33Å; N284-Y286 WeakPolarHBondContact OD1-CD2 3.42Å; N284-Y286 PolarHBondContact OD1-N 3.29Å; Y286-K312 HydrophobicContact CD1-CG 4.3Å; Y286-K312 HydrophobicContact CD2-CD 4.26Å; Y286-K312 HydrophobicContact CD2-CG 3.56Å; Y286-K312 HydrophobicContact CE2-CD 4.45Å; Y286-K312 HydrophobicContact CE2-CG 4.11Å; Y286-K312 HydrophobicContact CG-CG 3.66Å; Y286-L314 HydrophobicContact CD1-CD1 4.41Å; Y286-L314 HydrophobicContact CD1-CG 4.21Å
287S92.9Very high91.6Very high0 Ų037.3 Ų37.30%021%0.207CC..  trans-141162.3166.9-78.60000109.5A279 M281 P289 K312 T313 D342A279-S287 PolarHBondContact O-OG 3.48Å; M281-S287 PolarHBondContact N-OG 2.97Å; S287-P289 WeakPolarHBondContact O-CD 3.43Å; S287-K312 CarbonylContact O-C 3.51Å; S287-K312 VanDerWaalsContact O-CA 3.31Å; S287-K312 WeakPolarHBondContact O-CA 3.41Å; S287-K312 PolarHBondContact O-N 3.11Å; S287-K312 VanDerWaalsContact O-N 3.12Å; S287-T313 PolarHBondContact O-N 2.84Å; S287-T313 VanDerWaalsContact O-O 3.12Å; S287-D342 WeakPolarHBondContact CA-OD2 3.47Å; S287-D342 WeakPolarHBondContact CB-OD2 3.05Å; S287-D342 PolarHBondContact OG-OD2 3.05Å
288D95.7Very high91.2Very high23 Ų2338.1 Ų38.112%0.12321%0.212CC..  trans-103.566.4167.3-72.2-12.1000110.4V309 K310 K311 K312 D342 Y343D288-V309 HydrophobicContact CB-CG1 3.96Å; D288-V309 WeakPolarHBondContact O-CG1 3.21Å; D288-K310 CarbonylContact C-O 3.58Å; D288-K310 VanDerWaalsContact C-O 3.22Å; D288-K310 WeakPolarHBondContact CA-O 3.43Å; D288-K311 WeakPolarHBondContact OD1-CA 3.45Å; D288-K312 PolarHBondContact OD1-N 2.7Å; D288-D342 WeakPolarHBondContact CA-OD1 3.34Å; D288-D342 WeakPolarHBondContact CB-OD1 3.16Å; D288-D342 PolarHBondContact N-OD1 3.47Å; D288-Y343 PolarHBondContact O-N 3.01Å; D288-Y343 VanDerWaalsContact O-N 3.1Å
289P97.1Very high90.4Very high0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-66.8143.2-168.426.7-38.6000114.6L278 S287 K310 T313 P316 F318 V340 W341 I352L278-P289 HydrophobicContact CD1-CB 3.65Å; L278-P289 HydrophobicContact CD1-CG 3.92Å; S287-P289 WeakPolarHBondContact O-CD 3.43Å; P289-K310 WeakPolarHBondContact CD-O 3.41Å; P289-K310 HydrophobicContact CG-CB 4.42Å; P289-K310 VanDerWaalsContact N-O 3.16Å; P289-K310 PolarHBondContact O-N 2.74Å; P289-T313 WeakPolarHBondContact CD-O 3.26Å; P289-T313 HydrophobicContact CG-CG2 3.97Å; P289-P316 HydrophobicContact CB-CG 4.07Å; P289-P316 HydrophobicContact CG-CB 3.75Å; P289-P316 HydrophobicContact CG-CG 3.52Å; P289-F318 HydrophobicContact CB-CZ 4.35Å; P289-V340 HydrophobicContact CB-CG1 4.32Å; P289-W341 CarbonylContact C-O 3.22Å; P289-W341 VanDerWaalsContact CA-O 3.26Å; P289-W341 WeakPolarHBondContact CA-O 3.06Å; P289-I352 HydrophobicContact CB-CD1 4.36Å
290Y97.9Very high89.7Confident1 Ų148.2 Ų48.20%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-143.3156.1163.669.8-86.1000111.1K292 K306 V309 W341 N349Y290-K292 HydrophobicContact CD2-CG 4.17Å; Y290-K292 HydrophobicContact CE2-CD 4.09Å; Y290-K292 HydrophobicContact CE2-CG 3.79Å; Y290-K292 PolarHBondContact OH-NZ 3.1Å; Y290-K306 HydrophobicContact CD2-CD 3.81Å; Y290-K306 HydrophobicContact CD2-CG 3.86Å; Y290-K306 HydrophobicContact CE2-CD 3.9Å; Y290-K306 HydrophobicContact CE2-CG 4.32Å; Y290-V309 HydrophobicContact CD1-CG2 4.08Å; Y290-V309 HydrophobicContact CG-CG2 4.2Å; Y290-W341 HydrophobicContact CD1-CB 4.04Å; Y290-W341 WeakPolarHBondContact CD1-O 3.3Å; Y290-W341 HydrophobicContact CD2-CB 4.3Å; Y290-W341 HydrophobicContact CE1-CB 3.45Å; Y290-W341 VanDerWaalsContact CE1-CB 3.45Å; Y290-W341 HydrophobicContact CE1-CG 4.46Å; Y290-W341 HydrophobicContact CE2-CB 3.76Å; Y290-W341 HydrophobicContact CE2-CG 4.05Å; Y290-W341 HydrophobicContact CG-CB 4.45Å; Y290-W341 AromaticContact CZ-CG 3.84Å; Y290-W341 PolarHBondContact N-O 2.94Å; Y290-W341 PolarHBondContact O-N 3.41Å; Y290-W341 WeakPolarHBondContact OH-CB 3.17Å; Y290-N349 HydrophobicContact CE1-CB 4.48Å; Y290-N349 PolarHBondContact OH-ND2 3.3Å; Y290-N349 VanDerWaalsContact OH-ND2 3.12Å
291V98.1Very high89.3Confident0 Ų054.9 Ų54.90%029%0.287CS..EExtended strand (participates in β ladder)trans-111.8140.5-175.9-174.10000110.1I255 I272 T293 K306 T307 F318 V338 T339 V340I255-V291 HydrophobicContact CD1-CG1 4.07Å; I255-V291 HydrophobicContact CD1-CG2 4.02Å; I272-V291 HydrophobicContact CD1-CG1 4.17Å; I272-V291 HydrophobicContact CG1-CG1 4.35Å; I272-V291 HydrophobicContact CG2-CB 4.01Å; I272-V291 HydrophobicContact CG2-CG1 4.16Å; I272-V291 HydrophobicContact CG2-CG2 3.81Å; V291-T293 HydrophobicContact CG1-CG2 4.5Å; V291-K306 CarbonylContact O-C 3.52Å; V291-K306 VanDerWaalsContact O-CA 3.29Å; V291-K306 WeakPolarHBondContact O-CA 3.11Å; V291-T307 HydrophobicContact CB-CG2 3.86Å; V291-T307 PolarHBondContact N-OG1 3.12Å; V291-T307 PolarHBondContact O-N 2.91Å; V291-F318 HydrophobicContact CG2-CD2 4.21Å; V291-F318 HydrophobicContact CG2-CE1 4.49Å; V291-F318 HydrophobicContact CG2-CE2 3.7Å; V291-F318 HydrophobicContact CG2-CZ 3.87Å; V291-V338 HydrophobicContact CG1-CG1 3.42Å; V291-V338 VanDerWaalsContact CG1-CG1 3.42Å; V291-T339 CarbonylContact C-O 3.58Å; V291-T339 VanDerWaalsContact CA-O 3.31Å; V291-T339 WeakPolarHBondContact CA-O 3.31Å; V291-V340 HydrophobicContact CG2-CG1 4.5Å; V291-V340 HydrophobicContact CG2-CG2 4.19Å
292K96.9Very high89Confident20 Ų2060.1 Ų60.19%0.08731%0.308CS..EExtended strand (participates in β ladder)trans-120.1138.5169.3-60.5174.7178.2112.70109.6Y290 Y294 H305 K306 T339Y290-K292 HydrophobicContact CD2-CG 4.17Å; Y290-K292 HydrophobicContact CE2-CD 4.09Å; Y290-K292 HydrophobicContact CE2-CG 3.79Å; Y290-K292 PolarHBondContact OH-NZ 3.1Å; K292-Y294 HydrophobicContact CB-CE2 3.75Å; K292-Y294 HydrophobicContact CD-CE2 4.37Å; K292-Y294 WeakPolarHBondContact CD-OH 3.46Å; K292-H305 VanDerWaalsContact CA-O 3.26Å; K292-H305 WeakPolarHBondContact CA-O 3.29Å; K292-K306 HydrophobicContact CG-CB 4.38Å; K292-K306 HydrophobicContact CG-CG 4.29Å; K292-T339 PolarHBondContact N-O 2.68Å; K292-T339 PolarHBondContact O-N 2.62Å; K292-T339 PolarHBondContact O-OG1 3.05Å
293T96.6Very high89.1Confident0 Ų059.2 Ų59.20%030%0.304CS..EExtended strand (participates in β ladder)trans-120.3145.2176.658.90000111V270 I272 V291 S303 K304 H305 F322 Y324 E337 V338V270-T293 HydrophobicContact CG1-CG2 4.37Å; I272-T293 HydrophobicContact CD1-CG2 3.81Å; I272-T293 HydrophobicContact CG1-CG2 4.36Å; V291-T293 HydrophobicContact CG1-CG2 4.5Å; T293-S303 VanDerWaalsContact O-O 3.09Å; T293-K304 WeakPolarHBondContact O-CA 3.14Å; T293-H305 PolarHBondContact N-O 3.33Å; T293-H305 PolarHBondContact O-N 2.8Å; T293-H305 WeakPolarHBondContact OG1-CB 3.42Å; T293-F322 HydrophobicContact CG2-CD2 4.29Å; T293-Y324 VanDerWaalsContact CB-OH 3.23Å; T293-Y324 WeakPolarHBondContact CB-OH 3.31Å; T293-Y324 PolarHBondContact O-OH 2.86Å; T293-Y324 PolarHBondContact OG1-OH 2.81Å; T293-E337 CarbonylContact C-O 3.58Å; T293-E337 VanDerWaalsContact CA-O 3.28Å; T293-E337 WeakPolarHBondContact CA-O 3.29Å; T293-V338 HydrophobicContact CG2-CG1 4.15Å; T293-V338 HydrophobicContact CG2-CG2 4.1Å
294Y94.3Very high89.5Confident38 Ų3856.8 Ų56.815%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-142.2142.8178.5-55.8-93.8000110.6K292 K304 L336 E337K292-Y294 HydrophobicContact CB-CE2 3.75Å; K292-Y294 HydrophobicContact CD-CE2 4.37Å; K292-Y294 WeakPolarHBondContact CD-OH 3.46Å; Y294-K304 HydrophobicContact CD1-CB 3.87Å; Y294-K304 HydrophobicContact CD1-CG 4.12Å; Y294-K304 HydrophobicContact CE1-CB 3.57Å; Y294-K304 HydrophobicContact CE1-CD 3.66Å; Y294-K304 HydrophobicContact CE1-CG 3.41Å; Y294-K304 VanDerWaalsContact CE1-CG 3.41Å; Y294-K304 VanDerWaalsContact OH-CE 3.31Å; Y294-K304 WeakPolarHBondContact OH-CE 3.39Å; Y294-L336 CarbonylContact O-C 3.52Å; Y294-L336 WeakPolarHBondContact O-CA 3.31Å; Y294-E337 PolarHBondContact N-O 2.91Å; Y294-E337 PolarHBondContact O-N 3.45Å
295L93.2Very high90.2Very high11 Ų1155.7 Ų55.76%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-101.6110.8168-78.3179.1000109.8L268 P297 D298 S303 Y324 I326 L331 K334 L336 W369L268-L295 HydrophobicContact CD2-CD2 4.28Å; L295-P297 CarbonylContact O-C 3.33Å; L295-D298 WeakPolarHBondContact O-CA 3.18Å; L295-D298 WeakPolarHBondContact O-CB 3.48Å; L295-D298 PolarHBondContact O-N 2.94Å; L295-S303 PolarHBondContact N-OG 2.99Å; L295-S303 PolarHBondContact O-OG 3.03Å; L295-Y324 HydrophobicContact CB-CE1 4.45Å; L295-Y324 HydrophobicContact CD1-CD1 3.39Å; L295-Y324 HydrophobicContact CD1-CD2 4.14Å; L295-Y324 HydrophobicContact CD1-CE1 3.98Å; L295-Y324 HydrophobicContact CD1-CG 3.44Å; L295-Y324 VanDerWaalsContact CD1-CG 3.44Å; L295-Y324 HydrophobicContact CG-CD1 3.84Å; L295-Y324 HydrophobicContact CG-CD2 4.43Å; L295-Y324 HydrophobicContact CG-CE1 3.89Å; L295-Y324 HydrophobicContact CG-CE2 4.5Å; L295-Y324 HydrophobicContact CG-CG 4.09Å; L295-I326 HydrophobicContact CD1-CD1 4.47Å; L295-L331 HydrophobicContact CD2-CD1 4.38Å; L295-K334 HydrophobicContact CD2-CB 4.33Å; L295-L336 HydrophobicContact CD2-CB 3.99Å; L295-L336 HydrophobicContact CD2-CD1 4.06Å; L295-W369 HydrophobicContact CD2-CH2 4.19Å
296R90.9Very high90.7Very high93 Ų9358.8 Ų58.835%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-95.7145.2177.8-61.6-55.8-167.81684.4112.2K334 T335 E337R296-K334 CarbonylContact O-C 3.41Å; R296-K334 WeakPolarHBondContact O-CA 3.13Å; R296-K334 WeakPolarHBondContact O-CB 3.02Å; R296-K334 WeakPolarHBondContact O-CD 3.25Å; R296-T335 PolarHBondContact N-O 2.98Å; R296-T335 PolarHBondContact O-N 2.97Å; R296-E337 HydrophobicContact CG-CG 3.92Å; R296-E337 VanDerWaalsContact CG-OE2 3.28Å; R296-E337 WeakPolarHBondContact CG-OE2 3.47Å; R296-E337 IonicContact CZ-OE2 3.24Å; R296-E337 IonicContact NE-OE2 3.28Å; R296-E337 PolarHBondContact NE-OE2 2.85Å; R296-E337 IonicContact NH2-OE2 2.85Å
297P87.4Confident91.1Very high82 Ų8255.5 Ų55.553%0.53227%0.267SS..SBendcis-67.1131.2-9.525.7-33.6000111.7L295 V299 K334L295-P297 CarbonylContact O-C 3.33Å; P297-V299 PolarHBondContact O-N 3.38Å; P297-K334 PolarHBondContact O-NZ 3.22Å
298D82.7Confident91.3Very high29 Ų2958.3 Ų58.316%0.15529%0.286CS..  trans-93.778.7-178.6-171.13.3000109.3L295 D300 K301 K302 S303L295-D298 WeakPolarHBondContact O-CA 3.18Å; L295-D298 WeakPolarHBondContact O-CB 3.48Å; L295-D298 PolarHBondContact O-N 2.94Å; D298-D300 VanDerWaalsContact C-N 3.31Å; D298-D300 PolarHBondContact O-N 3.45Å; D298-K301 VanDerWaalsContact OD1-CA 3.28Å; D298-K301 WeakPolarHBondContact OD1-CA 3.3Å; D298-K301 PolarHBondContact OD1-N 3.26Å; D298-K301 WeakPolarHBondContact OD2-CA 3.38Å; D298-K302 PolarHBondContact OD1-N 3.44Å; D298-S303 PolarHBondContact OD1-N 3.09Å; D298-S303 PolarHBondContact OD1-OG 3.47Å; D298-S303 PolarHBondContact OD2-N 2.91Å; D298-S303 PolarHBondContact OD2-OG 3.43Å
299V77.1Confident91.4Very high116 Ų11659.4 Ų59.470%0.70329%0.293SS*.SBendtrans-63.3-39.5-174.5-178.50000110.9P297P297-V299 PolarHBondContact O-N 3.38Å
300D75Confident91.4Very high125 Ų12562.3 Ų62.367%0.66831%0.306SS*.SBendtrans-95.7-1.7-173.5-59.9-51.9000114D298 K302D298-D300 VanDerWaalsContact C-N 3.31Å; D298-D300 PolarHBondContact O-N 3.45Å; D300-K302 HydrophobicContact CB-CB 4.45Å; D300-K302 HydrophobicContact CB-CD 4.31Å; D300-K302 HydrophobicContact CB-CG 4.43Å; D300-K302 WeakPolarHBondContact O-CG 3.5Å; D300-K302 PolarHBondContact O-N 2.83Å; D300-K302 VanDerWaalsContact O-N 3.11Å
301K80.8Confident91.3Very high184 Ų18469.7 Ų69.780%0.834%0.338SS*.SBendtrans53.924.9-174.5-60.9-176-179.9178.90114.3D298D298-K301 VanDerWaalsContact OD1-CA 3.28Å; D298-K301 WeakPolarHBondContact OD1-CA 3.3Å; D298-K301 PolarHBondContact OD1-N 3.26Å; D298-K301 WeakPolarHBondContact OD2-CA 3.38Å
302K82.9Confident91.1Very high174 Ų17475.8 Ų75.876%0.75737%0.365SS*.  trans-106.3-1.6-177.1-74.3174.1-173.9177.20113D298 D300 K304D298-K302 PolarHBondContact OD1-N 3.44Å; D300-K302 HydrophobicContact CB-CB 4.45Å; D300-K302 HydrophobicContact CB-CD 4.31Å; D300-K302 HydrophobicContact CB-CG 4.43Å; D300-K302 WeakPolarHBondContact O-CG 3.5Å; D300-K302 PolarHBondContact O-N 2.83Å; D300-K302 VanDerWaalsContact O-N 3.11Å; K302-K304 VanDerWaalsContact C-N 3.25Å; K302-K304 PolarHBondContact O-N 3.39Å
303S88.8Confident90.9Very high11 Ų1176.4 Ų76.48%0.07737%0.37CS..  trans-81.70.5-175.5810000114.6T293 L295 D298 H305 Y324T293-S303 VanDerWaalsContact O-O 3.09Å; L295-S303 PolarHBondContact N-OG 2.99Å; L295-S303 PolarHBondContact O-OG 3.03Å; D298-S303 PolarHBondContact OD1-N 3.09Å; D298-S303 PolarHBondContact OD1-OG 3.47Å; D298-S303 PolarHBondContact OD2-N 2.91Å; D298-S303 PolarHBondContact OD2-OG 3.43Å; S303-H305 PolarHBondContact O-N 3.34Å; S303-Y324 WeakPolarHBondContact O-CE1 3.23Å; S303-Y324 PolarHBondContact O-OH 2.98Å
304K94.6Very high90.8Very high112 Ų11276.7 Ų76.749%0.48737%0.372SS..  trans-78.7118.3-176-176.5179.2-178.6176.90110.8T293 Y294 K302T293-K304 WeakPolarHBondContact O-CA 3.14Å; Y294-K304 HydrophobicContact CD1-CB 3.87Å; Y294-K304 HydrophobicContact CD1-CG 4.12Å; Y294-K304 HydrophobicContact CE1-CB 3.57Å; Y294-K304 HydrophobicContact CE1-CD 3.66Å; Y294-K304 HydrophobicContact CE1-CG 3.41Å; Y294-K304 VanDerWaalsContact CE1-CG 3.41Å; Y294-K304 VanDerWaalsContact OH-CE 3.31Å; Y294-K304 WeakPolarHBondContact OH-CE 3.39Å; K302-K304 VanDerWaalsContact C-N 3.25Å; K302-K304 PolarHBondContact O-N 3.39Å
305H96.2Very high90.8Very high54 Ų5478.1 Ų78.125%0.2538%0.382CS..EExtended strand (participates in β ladder)trans-113.9159161.1-59.5-94.7000110.6K292 T293 S303 F322 Y324K292-H305 VanDerWaalsContact CA-O 3.26Å; K292-H305 WeakPolarHBondContact CA-O 3.29Å; T293-H305 PolarHBondContact N-O 3.33Å; T293-H305 PolarHBondContact O-N 2.8Å; T293-H305 WeakPolarHBondContact OG1-CB 3.42Å; S303-H305 PolarHBondContact O-N 3.34Å; H305-F322 HydrophobicContact CB-CB 4Å; H305-F322 HydrophobicContact CB-CD1 3.55Å; H305-F322 HydrophobicContact CB-CD2 3.66Å; H305-F322 HydrophobicContact CB-CE1 3.9Å; H305-F322 HydrophobicContact CB-CE2 3.99Å; H305-F322 HydrophobicContact CB-CG 3.43Å; H305-F322 VanDerWaalsContact CB-CG 3.43Å; H305-F322 HydrophobicContact CB-CZ 4.11Å; H305-F322 AromaticContact CG-CD1 3.81Å; H305-F322 AromaticContact CG-CG 3.74Å; H305-F322 AromaticContact ND1-CD1 3.76Å; H305-Y324 AromaticContact CD2-CE1 3.48Å; H305-Y324 VanDerWaalsContact CD2-CE1 3.48Å; H305-Y324 WeakPolarHBondContact CD2-CE1 3.38Å; H305-Y324 AromaticContact CD2-CZ 3.42Å; H305-Y324 VanDerWaalsContact CD2-CZ 3.42Å; H305-Y324 PolarHBondContact CD2-OH 3.14Å; H305-Y324 AromaticContact NE2-CE1 3.68Å
306K96.6Very high90.9Very high88 Ų8877.7 Ų77.738%0.38338%0.38SS..EExtended strand (participates in β ladder)trans-144.5136.4-179.7177-179.7163.4168.40109.4Y290 V291 K292 F322Y290-K306 HydrophobicContact CD2-CD 3.81Å; Y290-K306 HydrophobicContact CD2-CG 3.86Å; Y290-K306 HydrophobicContact CE2-CD 3.9Å; Y290-K306 HydrophobicContact CE2-CG 4.32Å; V291-K306 CarbonylContact O-C 3.52Å; V291-K306 VanDerWaalsContact O-CA 3.29Å; V291-K306 WeakPolarHBondContact O-CA 3.11Å; K292-K306 HydrophobicContact CG-CB 4.38Å; K292-K306 HydrophobicContact CG-CG 4.29Å; K306-F322 WeakPolarHBondContact O-CZ 3.26Å
307T98.1Very high91.2Very high5 Ų578.4 Ų78.43%0.03139%0.387CS..PPolyproline II helixtrans-79.1170.5174.567.10000112.8I272 V291 F318 E320 F322I272-T307 HydrophobicContact CB-CG2 4.12Å; I272-T307 HydrophobicContact CG1-CG2 4.15Å; I272-T307 HydrophobicContact CG2-CG2 4.06Å; V291-T307 HydrophobicContact CB-CG2 3.86Å; V291-T307 PolarHBondContact N-OG1 3.12Å; V291-T307 PolarHBondContact O-N 2.91Å; T307-F318 HydrophobicContact CG2-CD1 4.18Å; T307-F318 HydrophobicContact CG2-CG 4.41Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.14Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.36Å; T307-E320 VanDerWaalsContact CA-OE2 3.23Å; T307-E320 WeakPolarHBondContact CA-OE2 3.39Å; T307-E320 WeakPolarHBondContact CB-OE1 2.94Å; T307-E320 HydrophobicContact CG2-CB 4.36Å; T307-F322 HydrophobicContact CG2-CE2 3.74Å; T307-F322 HydrophobicContact CG2-CZ 3.75Å
308C97.3Very high91.7Very high59 Ų5975 Ų7540%0.39936%0.364SS..PPolyproline II helixtrans-64.9157.2163.773.80000111.5K310 F318 E320C308-K310 WeakPolarHBondContact SG-CE 3.23Å; C308-F318 WeakPolarHBondContact O-CE1 3.18Å; C308-E320 PolarHBondContact N-OE1 2.89Å; C308-E320 PolarHBondContact N-OE2 2.78Å; C308-E320 PolarHBondContact SG-OE1 3.46Å
309V97.5Very high92.4Very high45 Ų4578.8 Ų78.827%0.27338%0.384SS..PPolyproline II helixtrans-85.7127.1176.8178.60000108.7D288 Y290 Y343D288-V309 HydrophobicContact CB-CG1 3.96Å; D288-V309 WeakPolarHBondContact O-CG1 3.21Å; Y290-V309 HydrophobicContact CD1-CG2 4.08Å; Y290-V309 HydrophobicContact CG-CG2 4.2Å; V309-Y343 HydrophobicContact CG1-CD1 4.31Å; V309-Y343 HydrophobicContact CG1-CG 4.21Å; V309-Y343 HydrophobicContact CG2-CG 4.18Å
310K97.4Very high93.4Very high62 Ų6275.5 Ų75.527%0.2736%0.361SS..PPolyproline II helixtrans-100.8121.2174.1-59.1-66.8175.9164.50108.2D288 P289 C308 T313 P316 E317 F318D288-K310 CarbonylContact C-O 3.58Å; D288-K310 VanDerWaalsContact C-O 3.22Å; D288-K310 WeakPolarHBondContact CA-O 3.43Å; P289-K310 WeakPolarHBondContact CD-O 3.41Å; P289-K310 HydrophobicContact CG-CB 4.42Å; P289-K310 VanDerWaalsContact N-O 3.16Å; P289-K310 PolarHBondContact O-N 2.74Å; C308-K310 WeakPolarHBondContact SG-CE 3.23Å; K310-T313 HydrophobicContact CB-CG2 3.81Å; K310-P316 HydrophobicContact CB-CB 3.86Å; K310-P316 HydrophobicContact CG-CB 3.9Å; K310-E317 WeakPolarHBondContact CE-O 3.5Å; K310-E317 PolarHBondContact NZ-O 3.36Å; K310-F318 HydrophobicContact CB-CE1 4.48Å; K310-F318 HydrophobicContact CG-CD1 3.92Å; K310-F318 HydrophobicContact CG-CE1 3.59Å; K310-F318 HydrophobicContact CG-CZ 4.22Å
311K94.9Very high94.4Very high155 Ų15575.1 Ų75.167%0.67436%0.355SS*.PPolyproline II helixtrans-84.5144.2-172.7-63-175.2177.8-175.80112.9D288 T313D288-K311 WeakPolarHBondContact OD1-CA 3.45Å; K311-T313 PolarHBondContact O-N 3.3Å
312K93.3Very high95.2Very high128 Ų12867.4 Ų67.456%0.55732%0.322SS*.SBendtrans48.751.6167.5-163.3-176.4177.3178.70112.7Y286 S287 D288Y286-K312 HydrophobicContact CD1-CG 4.3Å; Y286-K312 HydrophobicContact CD2-CD 4.26Å; Y286-K312 HydrophobicContact CD2-CG 3.56Å; Y286-K312 HydrophobicContact CE2-CD 4.45Å; Y286-K312 HydrophobicContact CE2-CG 4.11Å; Y286-K312 HydrophobicContact CG-CG 3.66Å; S287-K312 CarbonylContact O-C 3.51Å; S287-K312 VanDerWaalsContact O-CA 3.31Å; S287-K312 WeakPolarHBondContact O-CA 3.41Å; S287-K312 PolarHBondContact O-N 3.11Å; S287-K312 VanDerWaalsContact O-N 3.12Å; D288-K312 PolarHBondContact OD1-N 2.7Å
313T94.1Very high95.8Very high34 Ų3461.6 Ų61.621%0.20930%0.297CS..  trans-144.9144.9-178.7-176.80000112S287 P289 K310 K311 N315 P316S287-T313 PolarHBondContact O-N 2.84Å; S287-T313 VanDerWaalsContact O-O 3.12Å; P289-T313 WeakPolarHBondContact CD-O 3.26Å; P289-T313 HydrophobicContact CG-CG2 3.97Å; K310-T313 HydrophobicContact CB-CG2 3.81Å; K311-T313 PolarHBondContact O-N 3.3Å; T313-N315 PolarHBondContact OG1-N 3.06Å; T313-P316 HydrophobicContact CG2-CB 3.81Å
314L92.9Very high96.1Very high6 Ų661.7 Ų61.73%0.03130%0.296CS..SBendtrans-1100.3173.8-56.6173.8000112.2K139 A140 H277 L278 A280 Y286 P316K139-L314 HydrophobicContact CB-CD1 4.08Å; A140-L314 HydrophobicContact CB-CB 3.49Å; A140-L314 VanDerWaalsContact CB-CB 3.49Å; A140-L314 HydrophobicContact CB-CD1 3.57Å; A140-L314 HydrophobicContact CB-CG 4.12Å; H277-L314 PolarHBondContact N-O 3.05Å; L278-L314 HydrophobicContact CB-CB 4.35Å; L278-L314 HydrophobicContact CB-CD2 4.33Å; L278-L314 WeakPolarHBondContact CB-O 3.49Å; L278-L314 PolarHBondContact N-O 3.07Å; A280-L314 HydrophobicContact CB-CD1 4.16Å; A280-L314 HydrophobicContact CB-CD2 4.04Å; Y286-L314 HydrophobicContact CD1-CD1 4.41Å; Y286-L314 HydrophobicContact CD1-CG 4.21Å; L314-P316 VanDerWaalsContact C-CD 3.46Å
315N94.4Very high96.1Very high68 Ų6864.5 Ų64.536%0.36431%0.31SS..SBendtrans-133.660.1176.4-60.3-73.7000109.4A140 C275 A276 H277 T313A140-N315 PolarHBondContact O-ND2 2.81Å; A140-N315 VanDerWaalsContact O-ND2 3.11Å; C275-N315 CarbonylContact O-C 3.59Å; C275-N315 WeakPolarHBondContact O-CA 3.1Å; A276-N315 WeakPolarHBondContact CA-OD1 3.5Å; H277-N315 PolarHBondContact N-OD1 2.96Å; T313-N315 PolarHBondContact OG1-N 3.06Å
316P96.7Very high95.9Very high2 Ų263 Ų631%0.01330%0.304CS..  trans-69.1142.4-176.930.2-38.6000112.5R274 C275 L278 P289 K310 T313 L314 F318R274-P316 CarbonylContact C-O 3.6Å; R274-P316 WeakPolarHBondContact CA-O 3.24Å; R274-P316 VanDerWaalsContact CB-O 3.26Å; R274-P316 WeakPolarHBondContact CB-O 3.38Å; C275-P316 HydrophobicContact CB-CG 3.75Å; C275-P316 PolarHBondContact N-O 2.84Å; L278-P316 HydrophobicContact CD1-CG 3.78Å; P289-P316 HydrophobicContact CB-CG 4.07Å; P289-P316 HydrophobicContact CG-CB 3.75Å; P289-P316 HydrophobicContact CG-CG 3.52Å; K310-P316 HydrophobicContact CB-CB 3.86Å; K310-P316 HydrophobicContact CG-CB 3.9Å; T313-P316 HydrophobicContact CG2-CB 3.81Å; L314-P316 VanDerWaalsContact C-CD 3.46Å; P316-F318 HydrophobicContact CB-CD2 4.45Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.75Å; P316-F318 HydrophobicContact CB-CZ 3.74Å; P316-F318 HydrophobicContact CG-CE2 3.57Å; P316-F318 HydrophobicContact CG-CZ 3.79Å
317E97.1Very high95.8Very high108 Ų10862 Ų6251%0.50530%0.301SS..EExtended strand (participates in β ladder)trans-109119.5166.8-60.9-172.3164.600109.5R274 K310R274-E317 HydrophobicContact CB-CB 4.39Å; R274-E317 HydrophobicContact CB-CG 4.02Å; K310-E317 WeakPolarHBondContact CE-O 3.5Å; K310-E317 PolarHBondContact NZ-O 3.36Å
318F97.4Very high95.5Very high10 Ų1064.6 Ų64.64%0.04431%0.314CS..EExtended strand (participates in β ladder)trans-96.7-54.2-179.3-62.1-79.1000110.3I272 L273 P289 V291 T307 C308 K310 P316 E320I272-F318 HydrophobicContact CG2-CB 4.06Å; I272-F318 HydrophobicContact CG2-CD2 3.83Å; I272-F318 HydrophobicContact CG2-CG 4.08Å; I272-F318 WeakPolarHBondContact O-CB 3.4Å; L273-F318 PolarHBondContact O-N 2.94Å; P289-F318 HydrophobicContact CB-CZ 4.35Å; V291-F318 HydrophobicContact CG2-CD2 4.21Å; V291-F318 HydrophobicContact CG2-CE1 4.49Å; V291-F318 HydrophobicContact CG2-CE2 3.7Å; V291-F318 HydrophobicContact CG2-CZ 3.87Å; T307-F318 HydrophobicContact CG2-CD1 4.18Å; T307-F318 HydrophobicContact CG2-CG 4.41Å; T307-F318 WeakPolarHBondContact OG1-CD1 3.14Å; T307-F318 WeakPolarHBondContact OG1-CE1 3.36Å; C308-F318 WeakPolarHBondContact O-CE1 3.18Å; K310-F318 HydrophobicContact CB-CE1 4.48Å; K310-F318 HydrophobicContact CG-CD1 3.92Å; K310-F318 HydrophobicContact CG-CE1 3.59Å; K310-F318 HydrophobicContact CG-CZ 4.22Å; P316-F318 HydrophobicContact CB-CD2 4.45Å; P316-F318 HydrophobicContact CB-CE1 4.44Å; P316-F318 HydrophobicContact CB-CE2 3.75Å; P316-F318 HydrophobicContact CB-CZ 3.74Å; P316-F318 HydrophobicContact CG-CE2 3.57Å; P316-F318 HydrophobicContact CG-CZ 3.79Å; F318-E320 HydrophobicContact CB-CG 4.44Å; F318-E320 PolarHBondContact O-N 2.89Å
319N97.4Very high95.2Very high108 Ų10866 Ų6658%0.57833%0.325SS*.EExtended strand (participates in β ladder)trans50.443.4-173.4-57.9-48.2000112I272 L273I272-N319 WeakPolarHBondContact O-CA 3.03Å; I272-N319 PolarHBondContact O-N 3.01Å; L273-N319 PolarHBondContact O-N 2.68Å; L273-N319 PolarHBondContact O-OD1 3.13Å
320E97.9Very high94.9Very high47 Ų4766.9 Ų66.922%0.2233%0.33CS..EExtended strand (participates in β ladder)trans-110.4142.5-179.4-68.8-178.7-126.600110.3G271 I272 T307 C308 F318 F322G271-E320 CarbonylContact C-O 3.51Å; G271-E320 WeakPolarHBondContact CA-O 3.28Å; I272-E320 PolarHBondContact N-O 2.83Å; I272-E320 PolarHBondContact O-N 3.43Å; T307-E320 VanDerWaalsContact CA-OE2 3.23Å; T307-E320 WeakPolarHBondContact CA-OE2 3.39Å; T307-E320 WeakPolarHBondContact CB-OE1 2.94Å; T307-E320 HydrophobicContact CG2-CB 4.36Å; C308-E320 PolarHBondContact N-OE1 2.89Å; C308-E320 PolarHBondContact N-OE2 2.78Å; C308-E320 PolarHBondContact SG-OE1 3.46Å; F318-E320 HydrophobicContact CB-CG 4.44Å; F318-E320 PolarHBondContact O-N 2.89Å; E320-F322 HydrophobicContact CB-CZ 4.43Å
321E97.1Very high94.7Very high117 Ų11763.9 Ų63.955%0.54732%0.317SS..EExtended strand (participates in β ladder)trans-121135.1-179.9-171.3-17978.400111L269 V270L269-E321 HydrophobicContact CB-CG 4.39Å; L269-E321 HydrophobicContact CD2-CG 4.29Å; L269-E321 WeakPolarHBondContact CD2-OE1 3.49Å; V270-E321 WeakPolarHBondContact O-CA 3.47Å
322F96.9Very high94.5Very high22 Ų2258.4 Ų58.410%0.09630%0.301CS..EExtended strand (participates in β ladder)trans-116.1136.6175.3-57.2-53.4000110.7L269 V270 I272 T293 H305 K306 T307 E320 Y324L269-F322 WeakPolarHBondContact CA-O 3.33Å; V270-F322 PolarHBondContact N-O 2.83Å; V270-F322 PolarHBondContact O-N 2.77Å; I272-F322 HydrophobicContact CG1-CD2 4.15Å; I272-F322 HydrophobicContact CG1-CE2 3.91Å; T293-F322 HydrophobicContact CG2-CD2 4.29Å; H305-F322 HydrophobicContact CB-CB 4Å; H305-F322 HydrophobicContact CB-CD1 3.55Å; H305-F322 HydrophobicContact CB-CD2 3.66Å; H305-F322 HydrophobicContact CB-CE1 3.9Å; H305-F322 HydrophobicContact CB-CE2 3.99Å; H305-F322 HydrophobicContact CB-CG 3.43Å; H305-F322 VanDerWaalsContact CB-CG 3.43Å; H305-F322 HydrophobicContact CB-CZ 4.11Å; H305-F322 AromaticContact CG-CD1 3.81Å; H305-F322 AromaticContact CG-CG 3.74Å; H305-F322 AromaticContact ND1-CD1 3.76Å; K306-F322 WeakPolarHBondContact O-CZ 3.26Å; T307-F322 HydrophobicContact CG2-CE2 3.74Å; T307-F322 HydrophobicContact CG2-CZ 3.75Å; E320-F322 HydrophobicContact CB-CZ 4.43Å; F322-Y324 HydrophobicContact CB-CE2 4.44Å
323F96.1Very high94.4Very high53 Ų5357.2 Ų57.223%0.23230%0.304CS..EExtended strand (participates in β ladder)trans-109.7128.4179.8177.6-106.3000110.9R265 L268 L269 E325R265-F323 HydrophobicContact CB-CE2 3.75Å; R265-F323 HydrophobicContact CB-CZ 3.71Å; R265-F323 VanDerWaalsContact NH2-CG 3.32Å; L268-F323 WeakPolarHBondContact O-CA 3.1Å; L269-F323 HydrophobicContact CD2-CB 4.02Å; L269-F323 HydrophobicContact CD2-CD2 3.48Å; L269-F323 VanDerWaalsContact CD2-CD2 3.48Å; L269-F323 HydrophobicContact CD2-CE2 4.41Å; L269-F323 HydrophobicContact CD2-CG 4.18Å; L269-F323 HydrophobicContact CG-CD2 4.12Å; F323-E325 HydrophobicContact CE1-CB 3.93Å; F323-E325 HydrophobicContact CE1-CG 4.48Å; F323-E325 HydrophobicContact CZ-CB 4.46Å
324Y94.6Very high94.3Very high12 Ų1257.1 Ų57.15%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-111.5113.7174.6-67.3-81.4000109.8G267 L268 V270 T293 L295 S303 H305 F322 I326 L336G267-Y324 CarbonylContact C-O 3.6Å; G267-Y324 WeakPolarHBondContact CA-O 3.33Å; L268-Y324 HydrophobicContact CD2-CD2 4.38Å; L268-Y324 PolarHBondContact N-O 3.03Å; L268-Y324 PolarHBondContact O-N 2.87Å; V270-Y324 HydrophobicContact CB-CE2 4.27Å; V270-Y324 HydrophobicContact CG2-CD2 3.82Å; V270-Y324 HydrophobicContact CG2-CE2 3.69Å; T293-Y324 VanDerWaalsContact CB-OH 3.23Å; T293-Y324 WeakPolarHBondContact CB-OH 3.31Å; T293-Y324 PolarHBondContact O-OH 2.86Å; T293-Y324 PolarHBondContact OG1-OH 2.81Å; L295-Y324 HydrophobicContact CB-CE1 4.45Å; L295-Y324 HydrophobicContact CD1-CD1 3.39Å; L295-Y324 HydrophobicContact CD1-CD2 4.14Å; L295-Y324 HydrophobicContact CD1-CE1 3.98Å; L295-Y324 HydrophobicContact CD1-CG 3.44Å; L295-Y324 VanDerWaalsContact CD1-CG 3.44Å; L295-Y324 HydrophobicContact CG-CD1 3.84Å; L295-Y324 HydrophobicContact CG-CD2 4.43Å; L295-Y324 HydrophobicContact CG-CE1 3.89Å; L295-Y324 HydrophobicContact CG-CE2 4.5Å; L295-Y324 HydrophobicContact CG-CG 4.09Å; S303-Y324 WeakPolarHBondContact O-CE1 3.23Å; S303-Y324 PolarHBondContact O-OH 2.98Å; H305-Y324 AromaticContact CD2-CE1 3.48Å; H305-Y324 VanDerWaalsContact CD2-CE1 3.48Å; H305-Y324 WeakPolarHBondContact CD2-CE1 3.38Å; H305-Y324 AromaticContact CD2-CZ 3.42Å; H305-Y324 VanDerWaalsContact CD2-CZ 3.42Å; H305-Y324 PolarHBondContact CD2-OH 3.14Å; H305-Y324 AromaticContact NE2-CE1 3.68Å; F322-Y324 HydrophobicContact CB-CE2 4.44Å; Y324-I326 PolarHBondContact O-N 2.9Å; Y324-L336 HydrophobicContact CE2-CD1 4.28Å
325E94.3Very high94.4Very high171 Ų17158.4 Ų58.480%0.79931%0.309SS*.EExtended strand (participates in β ladder)trans-75.2106.8174.5-169172.3-173.900109.8F323F323-E325 HydrophobicContact CE1-CB 3.93Å; F323-E325 HydrophobicContact CE1-CG 4.48Å; F323-E325 HydrophobicContact CZ-CB 4.46Å
326I92.4Very high94.5Very high24 Ų2455.1 Ų55.112%0.12329%0.292CS..  trans-161.8139.5-174.3-170.5168.3000111.4Y261 R266 L268 L295 Y324 T330 L331 K334Y261-I326 VanDerWaalsContact CE2-O 3.25Å; Y261-I326 WeakPolarHBondContact CE2-O 3.5Å; Y261-I326 PolarHBondContact OH-O 3.46Å; R266-I326 CarbonylContact C-O 3.47Å; R266-I326 CarbonylContact O-C 3.48Å; R266-I326 PolarHBondContact O-N 3.37Å; L268-I326 HydrophobicContact CB-CG2 4.46Å; L295-I326 HydrophobicContact CD1-CD1 4.47Å; Y324-I326 PolarHBondContact O-N 2.9Å; I326-T330 HydrophobicContact CD1-CG2 3.96Å; I326-T330 HydrophobicContact CG1-CG2 4.14Å; I326-L331 HydrophobicContact CD1-CB 4.34Å; I326-L331 HydrophobicContact CD1-CD1 4.35Å; I326-L331 HydrophobicContact CG1-CB 4.4Å; I326-L331 HydrophobicContact CG2-CB 4.23Å; I326-L331 HydrophobicContact CG2-CD1 3.93Å; I326-L331 HydrophobicContact CG2-CG 4.47Å; I326-K334 HydrophobicContact CD1-CG 3.69Å
327E93.4Very high94.4Very high65 Ų6555.9 Ų55.930%0.30430%0.295SS..  trans-66.2146.3172.7-66.2-53.4137.200112.9R266 S329 T330 L331R266-E327 IonicContact CZ-OE1 2.71Å; R266-E327 IonicContact CZ-OE2 3.2Å; R266-E327 VanDerWaalsContact NE-CD 3.32Å; R266-E327 IonicContact NE-OE1 2.79Å; R266-E327 PolarHBondContact NE-OE1 2.55Å; R266-E327 IonicContact NE-OE2 3.09Å; R266-E327 PolarHBondContact NE-OE2 2.87Å; R266-E327 VanDerWaalsContact NE-OE2 3.09Å; R266-E327 IonicContact NH1-OE1 3.38Å; R266-E327 PolarHBondContact NH1-OE1 2.9Å; R266-E327 IonicContact NH2-OE1 3.62Å; R266-E327 PolarHBondContact NH2-OE1 2.85Å; R266-E327 IonicContact NH2-OE2 2.75Å; R266-E327 PolarHBondContact NH2-OE2 2.69Å; E327-S329 VanDerWaalsContact C-N 3.29Å; E327-S329 PolarHBondContact O-N 3.31Å; E327-T330 PolarHBondContact O-N 3.23Å; E327-L331 VanDerWaalsContact O-CB 3.3Å; E327-L331 WeakPolarHBondContact O-CB 3.34Å; E327-L331 PolarHBondContact O-N 3.31Å
328L91.4Very high94.4Very high60 Ų6050.8 Ų50.831%0.31427%0.271SS..Hα-helixtrans-58.9-39.8178.9-172.364.7000112.5Y261 L331 A332 L373Y261-L328 HydrophobicContact CD1-CB 4.46Å; Y261-L328 HydrophobicContact CD1-CD1 3.84Å; Y261-L328 HydrophobicContact CD2-CD1 4.11Å; Y261-L328 HydrophobicContact CE1-CB 3.83Å; Y261-L328 HydrophobicContact CE1-CD1 4.07Å; Y261-L328 HydrophobicContact CE1-CG 4.4Å; Y261-L328 HydrophobicContact CE2-CB 4.36Å; Y261-L328 HydrophobicContact CE2-CD1 4.32Å; Y261-L328 HydrophobicContact CG-CD1 3.85Å; Y261-L328 PolarHBondContact OH-N 3.12Å; L328-L331 HydrophobicContact CD1-CD2 4.5Å; L328-L331 PolarHBondContact O-N 2.85Å; L328-A332 PolarHBondContact O-N 3.01Å; L328-L373 HydrophobicContact CD1-CD2 3.64Å
329S91.6Very high94.3Very high90 Ų9050.6 Ų50.663%0.62927%0.271SS*.Hα-helixtrans-62.3-44177.553.20000112.1E327E327-S329 VanDerWaalsContact C-N 3.29Å; E327-S329 PolarHBondContact O-N 3.31Å
330T91.6Very high94.3Very high62 Ų6245.4 Ų45.438%0.3824%0.243SC..Hα-helixtrans-70.5-40.8176.2-52.40000110.7I326 E327 A332 T333 K334I326-T330 HydrophobicContact CD1-CG2 3.96Å; I326-T330 HydrophobicContact CG1-CG2 4.14Å; E327-T330 PolarHBondContact O-N 3.23Å; T330-A332 VanDerWaalsContact C-N 3.27Å; T330-A332 PolarHBondContact O-N 3.07Å; T330-T333 PolarHBondContact O-N 3.24Å; T330-T333 PolarHBondContact O-OG1 2.75Å; T330-K334 PolarHBondContact O-N 3.34Å
331L92.3Very high94.2Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-58.4-39.1179.8-177.463.8000111.9Y261 L268 L295 I326 E327 L328 T333 K334 W369 L373Y261-L331 HydrophobicContact CD2-CD2 3.39Å; Y261-L331 HydrophobicContact CE2-CD2 3.82Å; Y261-L331 HydrophobicContact CG-CD2 4.36Å; L268-L331 HydrophobicContact CB-CD1 4.25Å; L268-L331 HydrophobicContact CB-CD2 4.04Å; L268-L331 HydrophobicContact CD1-CD2 4.3Å; L268-L331 HydrophobicContact CD2-CD1 4.06Å; L295-L331 HydrophobicContact CD2-CD1 4.38Å; I326-L331 HydrophobicContact CD1-CB 4.34Å; I326-L331 HydrophobicContact CD1-CD1 4.35Å; I326-L331 HydrophobicContact CG1-CB 4.4Å; I326-L331 HydrophobicContact CG2-CB 4.23Å; I326-L331 HydrophobicContact CG2-CD1 3.93Å; I326-L331 HydrophobicContact CG2-CG 4.47Å; E327-L331 VanDerWaalsContact O-CB 3.3Å; E327-L331 WeakPolarHBondContact O-CB 3.34Å; E327-L331 PolarHBondContact O-N 3.31Å; L328-L331 HydrophobicContact CD1-CD2 4.5Å; L328-L331 PolarHBondContact O-N 2.85Å; L331-T333 PolarHBondContact O-N 2.76Å; L331-T333 VanDerWaalsContact O-N 3.07Å; L331-K334 WeakPolarHBondContact O-CB 3.48Å; L331-K334 PolarHBondContact O-N 2.89Å; L331-W369 HydrophobicContact CD1-CH2 3.59Å; L331-W369 HydrophobicContact CD1-CZ2 3.81Å; L331-W369 HydrophobicContact CG-CH2 4.19Å; L331-W369 HydrophobicContact CG-CZ2 4.03Å; L331-W369 WeakPolarHBondContact O-CZ2 2.85Å; L331-L373 HydrophobicContact CB-CD2 4.4Å; L331-L373 HydrophobicContact CD2-CD2 3.78Å; L331-L373 HydrophobicContact CG-CD2 3.92Å
332A91.3Very high94.2Very high39 Ų3940.6 Ų40.632%0.32222%0.218SC..THydrogen-bonded Turntrans-58-24.1177.300000113.9L328 T330 S359 L373L328-A332 PolarHBondContact O-N 3.01Å; T330-A332 VanDerWaalsContact C-N 3.27Å; T330-A332 PolarHBondContact O-N 3.07Å; A332-S359 PolarHBondContact O-OG 2.96Å; A332-L373 HydrophobicContact CB-CD1 4.09Å
333T91.6Very high94.1Very high103 Ų10343.8 Ų43.863%0.63223%0.23SC*.THydrogen-bonded Turntrans-91.3-11.2176.771.70000113.6T330 L331T330-T333 PolarHBondContact O-N 3.24Å; T330-T333 PolarHBondContact O-OG1 2.75Å; L331-T333 PolarHBondContact O-N 2.76Å; L331-T333 VanDerWaalsContact O-N 3.07Å
334K92.8Very high93.8Very high33 Ų3342.4 Ų42.414%0.14323%0.225CC..  trans-86.3163.7-179.7-62.1-59.1-172.3177.30111.6L295 R296 P297 I326 T330 L331L295-K334 HydrophobicContact CD2-CB 4.33Å; R296-K334 CarbonylContact O-C 3.41Å; R296-K334 WeakPolarHBondContact O-CA 3.13Å; R296-K334 WeakPolarHBondContact O-CB 3.02Å; R296-K334 WeakPolarHBondContact O-CD 3.25Å; P297-K334 PolarHBondContact O-NZ 3.22Å; I326-K334 HydrophobicContact CD1-CG 3.69Å; T330-K334 PolarHBondContact O-N 3.34Å; L331-K334 WeakPolarHBondContact O-CB 3.48Å; L331-K334 PolarHBondContact O-N 2.89Å
335T94.3Very high93.3Very high32 Ų3248.6 Ų48.620%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-125.8124.1170.2-60.80000108.3R296 L357R296-T335 PolarHBondContact N-O 2.98Å; R296-T335 PolarHBondContact O-N 2.97Å; T335-L357 CarbonylContact C-O 3.37Å; T335-L357 WeakPolarHBondContact CA-O 3.38Å
336L95.7Very high92.5Very high0 Ų044.4 Ų44.40%026%0.26CS..EExtended strand (participates in β ladder)trans-82.7115.2171.517667.2000109.3L259 L268 V270 Y294 L295 Y324 V338 S356 L357 W369L259-L336 HydrophobicContact CD2-CD2 3.67Å; L268-L336 HydrophobicContact CD2-CD2 4.48Å; V270-L336 HydrophobicContact CG1-CD2 3.96Å; V270-L336 HydrophobicContact CG2-CD1 4.22Å; V270-L336 HydrophobicContact CG2-CD2 3.8Å; Y294-L336 CarbonylContact O-C 3.52Å; Y294-L336 WeakPolarHBondContact O-CA 3.31Å; L295-L336 HydrophobicContact CD2-CB 3.99Å; L295-L336 HydrophobicContact CD2-CD1 4.06Å; Y324-L336 HydrophobicContact CE2-CD1 4.28Å; L336-V338 HydrophobicContact CD1-CG2 4.44Å; L336-V338 HydrophobicContact CD2-CG2 4.16Å; L336-V338 HydrophobicContact CG-CG2 3.94Å; L336-S356 CarbonylContact O-C 3.47Å; L336-S356 WeakPolarHBondContact O-CA 3.07Å; L336-L357 HydrophobicContact CB-CB 4.38Å; L336-L357 HydrophobicContact CD2-CD1 4.25Å; L336-L357 HydrophobicContact CG-CD1 4.41Å; L336-L357 PolarHBondContact N-O 2.84Å; L336-L357 PolarHBondContact O-N 2.82Å; L336-W369 HydrophobicContact CB-CE3 4.36Å; L336-W369 HydrophobicContact CB-CH2 3.98Å; L336-W369 HydrophobicContact CB-CZ3 3.56Å; L336-W369 HydrophobicContact CD2-CZ3 4.22Å
337E95.2Very high92.1Very high18 Ų1851.2 Ų51.28%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-96.2125.9170.8-66.6179.1162.100109.2T293 Y294 R296 L390T293-E337 CarbonylContact C-O 3.58Å; T293-E337 VanDerWaalsContact CA-O 3.28Å; T293-E337 WeakPolarHBondContact CA-O 3.29Å; Y294-E337 PolarHBondContact N-O 2.91Å; Y294-E337 PolarHBondContact O-N 3.45Å; R296-E337 HydrophobicContact CG-CG 3.92Å; R296-E337 VanDerWaalsContact CG-OE2 3.28Å; R296-E337 WeakPolarHBondContact CG-OE2 3.47Å; R296-E337 IonicContact CZ-OE2 3.24Å; R296-E337 IonicContact NE-OE2 3.28Å; R296-E337 PolarHBondContact NE-OE2 2.85Å; R296-E337 IonicContact NH2-OE2 2.85Å; E337-L390 HydrophobicContact CB-CD1 4.47Å; E337-L390 HydrophobicContact CG-CD1 4.5Å
338V96.7Very high91.9Very high0 Ų052.8 Ų52.80%031%0.307CS..EExtended strand (participates in β ladder)trans-119124.5174.9-173.40000108.3I255 L257 I272 V291 T293 L336 G354 V355 L357I255-V338 HydrophobicContact CD1-CG1 3.89Å; L257-V338 HydrophobicContact CD1-CB 4.45Å; L257-V338 HydrophobicContact CD1-CG2 3.96Å; L257-V338 HydrophobicContact CD2-CG1 4.21Å; I272-V338 HydrophobicContact CD1-CG1 4.24Å; V291-V338 HydrophobicContact CG1-CG1 3.42Å; V291-V338 VanDerWaalsContact CG1-CG1 3.42Å; T293-V338 HydrophobicContact CG2-CG1 4.15Å; T293-V338 HydrophobicContact CG2-CG2 4.1Å; L336-V338 HydrophobicContact CD1-CG2 4.44Å; L336-V338 HydrophobicContact CD2-CG2 4.16Å; L336-V338 HydrophobicContact CG-CG2 3.94Å; V338-G354 CarbonylContact O-C 3.03Å; V338-G354 WeakPolarHBondContact O-CA 2.96Å; V338-V355 HydrophobicContact CB-CG1 3.93Å; V338-V355 PolarHBondContact N-O 3.39Å; V338-V355 PolarHBondContact O-N 2.8Å; V338-L357 HydrophobicContact CG2-CD1 4.04Å
339T96.2Very high91.9Very high6 Ų652.4 Ų52.44%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-128.5133.7-176.253.50000111.1V291 K292 W341 F351 L390V291-T339 CarbonylContact C-O 3.58Å; V291-T339 VanDerWaalsContact CA-O 3.31Å; V291-T339 WeakPolarHBondContact CA-O 3.31Å; K292-T339 PolarHBondContact N-O 2.68Å; K292-T339 PolarHBondContact O-N 2.62Å; K292-T339 PolarHBondContact O-OG1 3.05Å; T339-W341 VanDerWaalsContact CB-NE1 3.32Å; T339-W341 PolarHBondContact OG1-NE1 3.41Å; T339-F351 HydrophobicContact CG2-CE2 3.83Å; T339-F351 HydrophobicContact CG2-CZ 4.47Å; T339-L390 HydrophobicContact CG2-CD1 3.53Å; T339-L390 HydrophobicContact CG2-CD2 4.13Å; T339-L390 HydrophobicContact CG2-CG 4.08Å
340V97.3Very high91.9Very high0 Ų051 Ų510%029%0.291CS..EExtended strand (participates in β ladder)trans-104.9132.6177.8-168.20000108.3I255 L278 P289 V291 I352 G353 L386I255-V340 HydrophobicContact CD1-CG2 4.06Å; L278-V340 HydrophobicContact CD1-CG1 4.21Å; L278-V340 HydrophobicContact CD2-CG1 4.4Å; P289-V340 HydrophobicContact CB-CG1 4.32Å; V291-V340 HydrophobicContact CG2-CG1 4.5Å; V291-V340 HydrophobicContact CG2-CG2 4.19Å; V340-I352 HydrophobicContact CB-CB 4.37Å; V340-I352 HydrophobicContact CG1-CB 4.35Å; V340-I352 HydrophobicContact CG1-CD1 4.2Å; V340-I352 PolarHBondContact O-N 3Å; V340-G353 PolarHBondContact N-O 3.01Å; V340-G353 PolarHBondContact O-N 3.48Å; V340-L386 HydrophobicContact CB-CD1 4.23Å; V340-L386 HydrophobicContact CG2-CD1 3.77Å; V340-L386 HydrophobicContact CG2-CD2 3.79Å; V340-L386 HydrophobicContact CG2-CG 4.47Å
341W96.3Very high92Very high63 Ų6350.4 Ų50.424%0.23928%0.283CS..EExtended strand (participates in β ladder)trans-132.5148.6-174.1-65.279.3000109.8P289 Y290 T339 N349 D350 F351P289-W341 CarbonylContact C-O 3.22Å; P289-W341 VanDerWaalsContact CA-O 3.26Å; P289-W341 WeakPolarHBondContact CA-O 3.06Å; Y290-W341 HydrophobicContact CD1-CB 4.04Å; Y290-W341 WeakPolarHBondContact CD1-O 3.3Å; Y290-W341 HydrophobicContact CD2-CB 4.3Å; Y290-W341 HydrophobicContact CE1-CB 3.45Å; Y290-W341 VanDerWaalsContact CE1-CB 3.45Å; Y290-W341 HydrophobicContact CE1-CG 4.46Å; Y290-W341 HydrophobicContact CE2-CB 3.76Å; Y290-W341 HydrophobicContact CE2-CG 4.05Å; Y290-W341 HydrophobicContact CG-CB 4.45Å; Y290-W341 AromaticContact CZ-CG 3.84Å; Y290-W341 PolarHBondContact N-O 2.94Å; Y290-W341 PolarHBondContact O-N 3.41Å; Y290-W341 WeakPolarHBondContact OH-CB 3.17Å; T339-W341 VanDerWaalsContact CB-NE1 3.32Å; T339-W341 PolarHBondContact OG1-NE1 3.41Å; W341-N349 HydrophobicContact CE3-CB 4.23Å; W341-D350 CarbonylContact C-O 3.59Å; W341-D350 VanDerWaalsContact CA-O 3.31Å; W341-D350 WeakPolarHBondContact CA-O 3.18Å; W341-F351 HydrophobicContact CD2-CD2 4.1Å; W341-F351 AromaticContact CE2-CD2 3.74Å; W341-F351 HydrophobicContact CE3-CB 4.11Å; W341-F351 HydrophobicContact CE3-CD2 4.34Å; W341-F351 HydrophobicContact CH2-CB 4.17Å; W341-F351 AromaticContact CH2-CD2 3.93Å; W341-F351 HydrophobicContact CH2-CD2 3.93Å; W341-F351 HydrophobicContact CH2-CG 4.48Å; W341-F351 AromaticContact CZ2-CD2 3.66Å; W341-F351 HydrophobicContact CZ2-CD2 3.66Å; W341-F351 HydrophobicContact CZ2-CE2 4.3Å; W341-F351 HydrophobicContact CZ3-CB 3.86Å; W341-F351 HydrophobicContact CZ3-CD2 4.27Å
342D95.8Very high92.1Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-85.4143.1165-154.8-14.9000110.1M281 S287 D288 N349 D350 I352M281-D342 HydrophobicContact CB-CB 4.15Å; M281-D342 VanDerWaalsContact CB-OD2 3.31Å; M281-D342 WeakPolarHBondContact CB-OD2 3.27Å; M281-D342 HydrophobicContact CG-CB 4.18Å; S287-D342 WeakPolarHBondContact CA-OD2 3.47Å; S287-D342 WeakPolarHBondContact CB-OD2 3.05Å; S287-D342 PolarHBondContact OG-OD2 3.05Å; D288-D342 WeakPolarHBondContact CA-OD1 3.34Å; D288-D342 WeakPolarHBondContact CB-OD1 3.16Å; D288-D342 PolarHBondContact N-OD1 3.47Å; D342-N349 WeakPolarHBondContact O-CA 3.44Å; D342-N349 WeakPolarHBondContact O-CB 3.45Å; D342-D350 HydrophobicContact CB-CB 4.08Å; D342-D350 PolarHBondContact N-O 3.19Å; D342-D350 PolarHBondContact O-N 2.99Å; D342-I352 HydrophobicContact CB-CD1 4.11Å; D342-I352 HydrophobicContact CB-CG1 4.25Å
343Y95Very high92.2Very high88 Ų8848.6 Ų48.635%0.34527%0.268SS..  trans-102.3115177.2175.3-98000111.1D288 V309 I345 N349D288-Y343 PolarHBondContact O-N 3.01Å; D288-Y343 VanDerWaalsContact O-N 3.1Å; V309-Y343 HydrophobicContact CG1-CD1 4.31Å; V309-Y343 HydrophobicContact CG1-CG 4.21Å; V309-Y343 HydrophobicContact CG2-CG 4.18Å; Y343-I345 HydrophobicContact CE1-CG1 3.83Å; Y343-N349 WeakPolarHBondContact CA-OD1 3.25Å; Y343-N349 WeakPolarHBondContact CD2-OD1 3.41Å
344D90.4Very high92.3Very high25 Ų2543.7 Ų43.713%0.13424%0.238CC..  trans-104.4130179.8-68.3-76.7000112.2G346 K347 N349 D350D344-G346 PolarHBondContact O-N 2.99Å; D344-K347 HydrophobicContact CB-CB 4.04Å; D344-N349 PolarHBondContact N-OD1 3.47Å; D344-D350 PolarHBondContact OD2-N 2.91Å
345I84.6Confident92.3Very high141 Ų14142.7 Ų42.772%0.72323%0.234SC*.THydrogen-bonded Turntrans-75.5112.7172.7-60.7175.3000109Y343Y343-I345 HydrophobicContact CE1-CG1 3.83Å
346G77.5Confident92.3Very high83 Ų8341.9 Ų41.986%0.85623%0.23SC*.THydrogen-bonded Turntrans83.59.6172.100000115.3D344D344-G346 PolarHBondContact O-N 2.99Å
347K84.4Confident92.2Very high167 Ų16741.9 Ų41.973%0.72623%0.23SC*.SBendtrans-131.9173.9172.2-65.3-177.1-178.5176.60111D344D344-K347 HydrophobicContact CB-CB 4.04Å
348S88.1Confident92.1Very high98 Ų9841 Ų4169%0.68523%0.226SC*.PPolyproline II helixtrans-66.4136.8167.151.80000109.6
349N92.4Very high91.7Very high52 Ų5244.4 Ų44.428%0.27825%0.25SS..PPolyproline II helixtrans-63.4133.7175.6-63-45.5000111.8Y290 W341 D342 Y343 D344Y290-N349 HydrophobicContact CE1-CB 4.48Å; Y290-N349 PolarHBondContact OH-ND2 3.3Å; Y290-N349 VanDerWaalsContact OH-ND2 3.12Å; W341-N349 HydrophobicContact CE3-CB 4.23Å; D342-N349 WeakPolarHBondContact O-CA 3.44Å; D342-N349 WeakPolarHBondContact O-CB 3.45Å; Y343-N349 WeakPolarHBondContact CA-OD1 3.25Å; Y343-N349 WeakPolarHBondContact CD2-OD1 3.41Å; D344-N349 PolarHBondContact N-OD1 3.47Å
350D91.8Very high91.1Very high60 Ų6047.2 Ų47.232%0.32128%0.28SS..PPolyproline II helixtrans-79139.4178-71.1-31.5000113.1M281 W341 D342 D344M281-D350 HydrophobicContact CB-CB 4.14Å; M281-D350 HydrophobicContact CE-CB 3.98Å; M281-D350 HydrophobicContact CG-CB 4.28Å; W341-D350 CarbonylContact C-O 3.59Å; W341-D350 VanDerWaalsContact CA-O 3.31Å; W341-D350 WeakPolarHBondContact CA-O 3.18Å; D342-D350 HydrophobicContact CB-CB 4.08Å; D342-D350 PolarHBondContact N-O 3.19Å; D342-D350 PolarHBondContact O-N 2.99Å; D344-D350 PolarHBondContact OD2-N 2.91Å
351F93.4Very high90.7Very high51 Ų5148 Ų4822%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-82.1117.9174.9-178.3-104.7000109.8T339 W341 G353 S388T339-F351 HydrophobicContact CG2-CE2 3.83Å; T339-F351 HydrophobicContact CG2-CZ 4.47Å; W341-F351 HydrophobicContact CD2-CD2 4.1Å; W341-F351 AromaticContact CE2-CD2 3.74Å; W341-F351 HydrophobicContact CE3-CB 4.11Å; W341-F351 HydrophobicContact CE3-CD2 4.34Å; W341-F351 HydrophobicContact CH2-CB 4.17Å; W341-F351 AromaticContact CH2-CD2 3.93Å; W341-F351 HydrophobicContact CH2-CD2 3.93Å; W341-F351 HydrophobicContact CH2-CG 4.48Å; W341-F351 AromaticContact CZ2-CD2 3.66Å; W341-F351 HydrophobicContact CZ2-CD2 3.66Å; W341-F351 HydrophobicContact CZ2-CE2 4.3Å; W341-F351 HydrophobicContact CZ3-CB 3.86Å; W341-F351 HydrophobicContact CZ3-CD2 4.27Å; F351-G353 VanDerWaalsContact CE1-CA 3.44Å; F351-S388 WeakPolarHBondContact CE1-O 3.05Å
352I92.8Very high90.1Very high0 Ų055.8 Ų55.80%032%0.316CS..EExtended strand (participates in β ladder)trans-83.4-55.7176.7-62.3174.6000108.7R252 L278 A279 M281 P289 V340 D342R252-I352 WeakPolarHBondContact CD-O 3.23Å; R252-I352 PolarHBondContact NH1-O 3.44Å; L278-I352 HydrophobicContact CD2-CG2 4.31Å; A279-I352 HydrophobicContact CB-CG2 4.47Å; M281-I352 HydrophobicContact CG-CD1 4.46Å; M281-I352 HydrophobicContact CG-CG1 3.76Å; P289-I352 HydrophobicContact CB-CD1 4.36Å; V340-I352 HydrophobicContact CB-CB 4.37Å; V340-I352 HydrophobicContact CG1-CB 4.35Å; V340-I352 HydrophobicContact CG1-CD1 4.2Å; V340-I352 PolarHBondContact O-N 3Å; D342-I352 HydrophobicContact CB-CD1 4.11Å; D342-I352 HydrophobicContact CB-CG1 4.25Å
353G93.6Very high89.7Confident0 Ų058.2 Ų58.20%034%0.34CS..EExtended strand (participates in β ladder)trans176.3173.9179.700000113.1V340 F351 T387V340-G353 PolarHBondContact N-O 3.01Å; V340-G353 PolarHBondContact O-N 3.48Å; F351-G353 VanDerWaalsContact CE1-CA 3.44Å; G353-T387 CarbonylContact C-O 3.58Å; G353-T387 WeakPolarHBondContact CA-O 3.05Å
354G93.6Very high89.4Confident0 Ų058.2 Ų58.20%034%0.344CS..EExtended strand (participates in β ladder)trans-150.3171.2-179.600000114.4V338 T387V338-G354 CarbonylContact O-C 3.03Å; V338-G354 WeakPolarHBondContact O-CA 2.96Å; G354-T387 PolarHBondContact N-O 3.3Å; G354-T387 PolarHBondContact O-N 3.16Å; G354-T387 PolarHBondContact O-OG1 3.28Å; G354-T387 VanDerWaalsContact O-OG1 3.09Å
355V93.7Very high89.5Confident12 Ų1257.5 Ų57.57%0.07334%0.342CS..EExtended strand (participates in β ladder)trans-141.6141.1173.259.20000109.4I255 L257 V338 L357 A365 H384I255-V355 HydrophobicContact CG2-CG1 4.1Å; L257-V355 HydrophobicContact CD1-CG1 4.14Å; V338-V355 HydrophobicContact CB-CG1 3.93Å; V338-V355 PolarHBondContact N-O 3.39Å; V338-V355 PolarHBondContact O-N 2.8Å; V355-L357 HydrophobicContact CG1-CD1 4.04Å; V355-L357 HydrophobicContact CG2-CD1 4.23Å; V355-L357 HydrophobicContact CG2-CG 4.39Å; V355-A365 HydrophobicContact CG2-CB 4.09Å; V355-H384 HydrophobicContact CB-CB 4.29Å; V355-H384 HydrophobicContact CG1-CB 4.19Å; V355-H384 HydrophobicContact CG2-CB 3.95Å
356S94.3Very high90Very high15 Ų1557.7 Ų57.711%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-113.5122.9174.3-590000109.9L336 A361L336-S356 CarbonylContact O-C 3.47Å; L336-S356 WeakPolarHBondContact O-CA 3.07Å; S356-A361 VanDerWaalsContact O-CB 3.31Å; S356-A361 WeakPolarHBondContact O-CB 3.3Å
357L94.4Very high90.8Very high0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-110.1119.1178.6-55.798.2000109.2L257 L259 T335 L336 V338 V355 A365 H368 W369L257-L357 HydrophobicContact CD1-CD1 3.85Å; L257-L357 HydrophobicContact CD1-CD2 4.4Å; L259-L357 HydrophobicContact CD1-CD2 4.01Å; T335-L357 CarbonylContact C-O 3.37Å; T335-L357 WeakPolarHBondContact CA-O 3.38Å; L336-L357 HydrophobicContact CB-CB 4.38Å; L336-L357 HydrophobicContact CD2-CD1 4.25Å; L336-L357 HydrophobicContact CG-CD1 4.41Å; L336-L357 PolarHBondContact N-O 2.84Å; L336-L357 PolarHBondContact O-N 2.82Å; V338-L357 HydrophobicContact CG2-CD1 4.04Å; V355-L357 HydrophobicContact CG1-CD1 4.04Å; V355-L357 HydrophobicContact CG2-CD1 4.23Å; V355-L357 HydrophobicContact CG2-CG 4.39Å; L357-A365 HydrophobicContact CD2-CB 4.46Å; L357-A365 HydrophobicContact CG-CB 4.2Å; L357-H368 HydrophobicContact CD2-CB 4.14Å; L357-W369 HydrophobicContact CB-CB 4.41Å; L357-W369 HydrophobicContact CB-CD2 4.49Å; L357-W369 HydrophobicContact CB-CE3 3.93Å
358G92.9Very high91.3Very high1 Ų151 Ų511%0.0128%0.28CS..EExtended strand (participates in β ladder)trans179.7178.4-176.100000111.3G360 A361G358-G360 PolarHBondContact O-N 3.02Å; G358-A361 VanDerWaalsContact O-CB 3.24Å; G358-A361 WeakPolarHBondContact O-CB 3.41Å; G358-A361 PolarHBondContact O-N 3.5Å
359S87Confident91.7Very high71 Ų7146.5 Ų46.550%0.49725%0.248SC..THydrogen-bonded Turntrans-59.7-29.3-179.6-58.50000113.4A332A332-S359 PolarHBondContact O-OG 2.96Å
360G84.6Confident91.8Very high64 Ų6446 Ų4666%0.6625%0.249SC*.THydrogen-bonded Turntrans-86.6-3.6175.800000115.4G358G358-G360 PolarHBondContact O-N 3.02Å
361A87.5Confident92Very high17 Ų1744.9 Ų44.914%0.1424%0.243CC..  trans-69.9168.3179.900000111.9S356 G358 A365 R366S356-A361 VanDerWaalsContact O-CB 3.31Å; S356-A361 WeakPolarHBondContact O-CB 3.3Å; G358-A361 VanDerWaalsContact O-CB 3.24Å; G358-A361 WeakPolarHBondContact O-CB 3.41Å; G358-A361 PolarHBondContact O-N 3.5Å; A361-A365 HydrophobicContact CB-CB 4.02Å; A361-R366 HydrophobicContact CB-CB 4.12Å; A361-R366 WeakPolarHBondContact O-CB 3.08Å; A361-R366 WeakPolarHBondContact O-CD 3.19Å
362R84Confident92.1Very high227 Ų22742.6 Ų42.686%0.85723%0.233SC*.  trans-118.5158.1178-63.3-177.3179.6-179.40110.9A365R362-A365 PolarHBondContact O-N 3.04Å
363G88.1Confident92.1Very high50 Ų5044.2 Ų44.252%0.51524%0.242SC..Hα-helixtrans57.4-135.517300000113.9A365 R366 K367G363-A365 VanDerWaalsContact C-N 3.33Å; G363-A365 PolarHBondContact O-N 2.74Å; G363-R366 PolarHBondContact O-N 2.72Å; G363-K367 PolarHBondContact O-N 3.06Å
364E89.4Confident92.2Very high88 Ų8850.8 Ų50.841%0.41127%0.273SS..Hα-helixtrans-64-32.8-175.6-69.1-54.4123.100113.7R366 K367 H368E364-R366 VanDerWaalsContact C-N 3.35Å; E364-R366 PolarHBondContact O-N 3.18Å; E364-K367 PolarHBondContact O-N 2.87Å; E364-K367 IonicContact OE1-NZ 2.75Å; E364-K367 PolarHBondContact OE1-NZ 3.09Å; E364-H368 VanDerWaalsContact O-CB 3.29Å; E364-H368 WeakPolarHBondContact O-CB 3.49Å; E364-H368 PolarHBondContact O-N 2.95Å
365A92.4Very high92.2Very high11 Ų1155.7 Ų55.79%0.09130%0.295CS..Hα-helixtrans-62.1-41.3177.600000112.1V355 L357 A361 R362 G363 W369V355-A365 HydrophobicContact CG2-CB 4.09Å; L357-A365 HydrophobicContact CD2-CB 4.46Å; L357-A365 HydrophobicContact CG-CB 4.2Å; A361-A365 HydrophobicContact CB-CB 4.02Å; R362-A365 PolarHBondContact O-N 3.04Å; G363-A365 VanDerWaalsContact C-N 3.33Å; G363-A365 PolarHBondContact O-N 2.74Å; A365-W369 PolarHBondContact O-N 2.63Å; A365-W369 VanDerWaalsContact O-N 3.12Å
366R93.5Very high92Very high144 Ų14457.5 Ų57.554%0.54331%0.307SS..Hα-helixtrans-68.8-44.2175.9179.6175.6170.6151.7-2.3112A361 G363 E364 H368 W369 S370A361-R366 HydrophobicContact CB-CB 4.12Å; A361-R366 WeakPolarHBondContact O-CB 3.08Å; A361-R366 WeakPolarHBondContact O-CD 3.19Å; G363-R366 PolarHBondContact O-N 2.72Å; E364-R366 VanDerWaalsContact C-N 3.35Å; E364-R366 PolarHBondContact O-N 3.18Å; R366-H368 VanDerWaalsContact C-N 3.31Å; R366-H368 PolarHBondContact O-N 3.29Å; R366-W369 PolarHBondContact O-N 3.4Å; R366-S370 WeakPolarHBondContact O-CB 3.31Å; R366-S370 PolarHBondContact O-N 2.9Å
367K94.1Very high92Very high109 Ų10961.1 Ų61.147%0.47433%0.326SS..Hα-helixtrans-60.2-46.2177.4-65.5-179.8-170164.60110.2G363 E364 W369 S370 D371 R382G363-K367 PolarHBondContact O-N 3.06Å; E364-K367 PolarHBondContact O-N 2.87Å; E364-K367 IonicContact OE1-NZ 2.75Å; E364-K367 PolarHBondContact OE1-NZ 3.09Å; K367-W369 VanDerWaalsContact C-N 3.32Å; K367-W369 PolarHBondContact O-N 3.27Å; K367-S370 PolarHBondContact O-N 2.93Å; K367-D371 WeakPolarHBondContact O-CB 3.09Å; K367-D371 PolarHBondContact O-N 2.59Å; K367-D371 VanDerWaalsContact O-OD2 3.14Å; K367-R382 VanDerWaalsContact CB-NH1 3.33Å; K367-R382 PolarHBondContact O-NH1 3.15Å
368H95.6Very high92Very high0 Ų062.7 Ų62.70%034%0.339CS..Hα-helixtrans-58.9-44.6179.7-165.2-165.7000112L257 L357 E364 R366 C372 L380 R382 H384L257-H368 PolarHBondContact O-CE1 3.5Å; L357-H368 HydrophobicContact CD2-CB 4.14Å; E364-H368 VanDerWaalsContact O-CB 3.29Å; E364-H368 WeakPolarHBondContact O-CB 3.49Å; E364-H368 PolarHBondContact O-N 2.95Å; R366-H368 VanDerWaalsContact C-N 3.31Å; R366-H368 PolarHBondContact O-N 3.29Å; H368-C372 WeakPolarHBondContact O-CB 3.2Å; H368-C372 PolarHBondContact O-N 2.78Å; H368-C372 VanDerWaalsContact O-N 3.08Å; H368-L380 PolarHBondContact NE2-O 2.94Å; H368-R382 VanDerWaalsContact N-NH1 3.17Å; H368-H384 AromaticContact CE1-NE2 3.83Å; H368-H384 AromaticContact CG-NE2 3.88Å; H368-H384 AromaticContact ND1-CE1 3.6Å; H368-H384 AromaticContact ND1-NE2 3.01Å; H368-H384 PolarHBondContact ND1-NE2 2.95Å
369W95.9Very high92.1Very high4 Ų466 Ų662%0.01537%0.366CS..Hα-helixtrans-63.6-48.5175.6-168.6-106.2000112.4L259 L268 L295 L331 L336 L357 A365 R366 K367 D371 C372 L373L259-W369 HydrophobicContact CD1-CE3 4.07Å; L268-W369 HydrophobicContact CD2-CH2 4.04Å; L268-W369 HydrophobicContact CD2-CZ3 3.96Å; L295-W369 HydrophobicContact CD2-CH2 4.19Å; L331-W369 HydrophobicContact CD1-CH2 3.59Å; L331-W369 HydrophobicContact CD1-CZ2 3.81Å; L331-W369 HydrophobicContact CG-CH2 4.19Å; L331-W369 HydrophobicContact CG-CZ2 4.03Å; L331-W369 WeakPolarHBondContact O-CZ2 2.85Å; L336-W369 HydrophobicContact CB-CE3 4.36Å; L336-W369 HydrophobicContact CB-CH2 3.98Å; L336-W369 HydrophobicContact CB-CZ3 3.56Å; L336-W369 HydrophobicContact CD2-CZ3 4.22Å; L357-W369 HydrophobicContact CB-CB 4.41Å; L357-W369 HydrophobicContact CB-CD2 4.49Å; L357-W369 HydrophobicContact CB-CE3 3.93Å; A365-W369 PolarHBondContact O-N 2.63Å; A365-W369 VanDerWaalsContact O-N 3.12Å; R366-W369 PolarHBondContact O-N 3.4Å; K367-W369 VanDerWaalsContact C-N 3.32Å; K367-W369 PolarHBondContact O-N 3.27Å; W369-D371 PolarHBondContact O-N 3.35Å; W369-C372 PolarHBondContact O-N 2.8Å; W369-L373 WeakPolarHBondContact O-CG 3.49Å; W369-L373 PolarHBondContact O-N 2.76Å; W369-L373 VanDerWaalsContact O-N 3.16Å
370S95Very high92.5Very high41 Ų4163.9 Ų63.929%0.28735%0.349SS..Hα-helixtrans-59.7-46179.6-174.60000111.8R366 K367 C372 L373 Q374R366-S370 WeakPolarHBondContact O-CB 3.31Å; R366-S370 PolarHBondContact O-N 2.9Å; K367-S370 PolarHBondContact O-N 2.93Å; S370-C372 VanDerWaalsContact C-N 3.34Å; S370-C372 PolarHBondContact O-N 2.84Å; S370-L373 PolarHBondContact O-N 3.17Å; S370-Q374 WeakPolarHBondContact O-CG 3.15Å; S370-Q374 PolarHBondContact O-N 2.78Å; S370-Q374 PolarHBondContact OG-NE2 2.74Å; S370-Q374 VanDerWaalsContact OG-NE2 3.12Å
371D95.5Very high93Very high38 Ų3866.6 Ų66.620%0.20334%0.344CS..Hα-helixtrans-68.1-37.3-177.7-61.7-19.2000110.6K367 W369 L373 Q374 Q375 L380 R382K367-D371 WeakPolarHBondContact O-CB 3.09Å; K367-D371 PolarHBondContact O-N 2.59Å; K367-D371 VanDerWaalsContact O-OD2 3.14Å; W369-D371 PolarHBondContact O-N 3.35Å; D371-L373 VanDerWaalsContact C-N 3.27Å; D371-L373 PolarHBondContact O-N 3.16Å; D371-Q374 PolarHBondContact O-N 3.35Å; D371-Q375 WeakPolarHBondContact O-CB 3.11Å; D371-Q375 PolarHBondContact O-N 3.01Å; D371-L380 VanDerWaalsContact C-CD1 3.42Å; D371-L380 HydrophobicContact CB-CD1 3.57Å; D371-R382 IonicContact OD2-CZ 2.73Å; D371-R382 IonicContact OD2-NH1 3.68Å; D371-R382 PolarHBondContact OD2-NH1 3.38Å; D371-R382 IonicContact OD2-NH2 3.84Å; D371-R382 PolarHBondContact OD2-NH2 3.32Å
372C95.5Very high93.4Very high2 Ų268.7 Ų68.71%0.01435%0.348CS..Hα-helixtrans-60.5-35.1173.1-179.80000112.6L259 H368 W369 S370 L380L259-C372 HydrophobicContact CB-CB 4.05Å; H368-C372 WeakPolarHBondContact O-CB 3.2Å; H368-C372 PolarHBondContact O-N 2.78Å; H368-C372 VanDerWaalsContact O-N 3.08Å; W369-C372 PolarHBondContact O-N 2.8Å; S370-C372 VanDerWaalsContact C-N 3.34Å; S370-C372 PolarHBondContact O-N 2.84Å; C372-L380 HydrophobicContact CB-CD1 4.38Å
373L93.6Very high93.9Very high35 Ų3559 Ų5918%0.18331%0.312CS..Hα-helixtrans-78.3-33177.8-64.7174.5000112.5L328 L331 A332 W369 S370 D371L328-L373 HydrophobicContact CD1-CD2 3.64Å; L331-L373 HydrophobicContact CB-CD2 4.4Å; L331-L373 HydrophobicContact CD2-CD2 3.78Å; L331-L373 HydrophobicContact CG-CD2 3.92Å; A332-L373 HydrophobicContact CB-CD1 4.09Å; W369-L373 WeakPolarHBondContact O-CG 3.49Å; W369-L373 PolarHBondContact O-N 2.76Å; W369-L373 VanDerWaalsContact O-N 3.16Å; S370-L373 PolarHBondContact O-N 3.17Å; D371-L373 VanDerWaalsContact C-N 3.27Å; D371-L373 PolarHBondContact O-N 3.16Å
374Q94.6Very high94.1Very high138 Ų13856.9 Ų56.965%0.64529%0.289SS*.Hα-helixtrans-82.3-28.2-178.9-70.4176.915.700113S370 D371 P376S370-Q374 WeakPolarHBondContact O-CG 3.15Å; S370-Q374 PolarHBondContact O-N 2.78Å; S370-Q374 PolarHBondContact OG-NE2 2.74Å; S370-Q374 VanDerWaalsContact OG-NE2 3.12Å; D371-Q374 PolarHBondContact O-N 3.35Å; Q374-P376 VanDerWaalsContact C-CD 3.41Å; Q374-P376 VanDerWaalsContact O-CD 3.26Å; Q374-P376 WeakPolarHBondContact O-CD 3.3Å
375Q93.6Very high94.2Very high103 Ų10355.9 Ų55.948%0.48130%0.296SS..SBendtrans-118.771.3-177.8-56.5-175.1-61.200109.9D371 A378D371-Q375 WeakPolarHBondContact O-CB 3.11Å; D371-Q375 PolarHBondContact O-N 3.01Å; Q375-A378 HydrophobicContact CB-CB 4.09Å; Q375-A378 WeakPolarHBondContact O-CB 3.4Å; Q375-A378 PolarHBondContact O-N 2.9Å
376P91.2Very high94.2Very high50 Ų5055.8 Ų55.833%0.32529%0.293SS..THydrogen-bonded Turntrans-61.4151.7175.128.9-35000110.6Y261 S263 Q374 A378Y261-P376 HydrophobicContact CD1-CB 4.19Å; S263-P376 WeakPolarHBondContact OG-CB 3.18Å; Q374-P376 VanDerWaalsContact C-CD 3.41Å; Q374-P376 VanDerWaalsContact O-CD 3.26Å; Q374-P376 WeakPolarHBondContact O-CD 3.3Å; P376-A378 PolarHBondContact O-N 3.11Å; P376-A378 VanDerWaalsContact O-N 3.08Å
377D92.9Very high94Very high91 Ų9151.9 Ų51.949%0.48729%0.285SS..THydrogen-bonded Turntrans64.30.4-177-52.6-68.4000115.5Y261 S262 S263Y261-D377 PolarHBondContact O-N 2.84Å; S262-D377 WeakPolarHBondContact CA-OD1 3.13Å; S263-D377 WeakPolarHBondContact CB-OD2 3.33Å; S263-D377 PolarHBondContact N-OD1 2.96Å; S263-D377 PolarHBondContact OG-OD2 2.86Å
378A94.7Very high93.4Very high33 Ų3349.5 Ų49.527%0.27328%0.283SS..  trans-84.8137165.900000110.4S260 Q375 P376 L380S260-A378 WeakPolarHBondContact CA-O 3.25Å; S260-A378 WeakPolarHBondContact CB-O 3.35Å; S260-A378 PolarHBondContact OG-O 2.55Å; Q375-A378 HydrophobicContact CB-CB 4.09Å; Q375-A378 WeakPolarHBondContact O-CB 3.4Å; Q375-A378 PolarHBondContact O-N 2.9Å; P376-A378 PolarHBondContact O-N 3.11Å; P376-A378 VanDerWaalsContact O-N 3.08Å; A378-L380 HydrophobicContact CB-CD2 4.32Å
379A94.6Very high92.6Very high71 Ų7156.8 Ų56.859%0.58732%0.317SS*.  trans-92.1111.1169.600000108.7
380L95.9Very high91.3Very high25 Ų2559 Ų5913%0.13133%0.328CS..EExtended strand (participates in β ladder)trans-104122.4-178-59.4177.2000109.1S258 L259 H368 D371 C372 A378S258-L380 CarbonylContact C-O 3.47Å; S258-L380 WeakPolarHBondContact CA-O 3.06Å; L259-L380 PolarHBondContact N-O 2.81Å; L259-L380 PolarHBondContact O-N 3Å; H368-L380 PolarHBondContact NE2-O 2.94Å; D371-L380 VanDerWaalsContact C-CD1 3.42Å; D371-L380 HydrophobicContact CB-CD1 3.57Å; C372-L380 HydrophobicContact CB-CD1 4.38Å; A378-L380 HydrophobicContact CB-CD2 4.32Å
381E95.6Very high89.6Confident122 Ų12260.5 Ų60.557%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-107.1126.4178.3-65.2-176.6-174.400110.8L256 L257 L273L256-E381 HydrophobicContact CD1-CB 4.3Å; L257-E381 CarbonylContact O-C 3.52Å; L257-E381 VanDerWaalsContact O-CA 3.31Å; L257-E381 WeakPolarHBondContact O-CA 3.32Å; L273-E381 VanDerWaalsContact CD1-CD 3.46Å; L273-E381 HydrophobicContact CD1-CG 3.88Å
382R94.8Very high87.5Confident60 Ų6064 Ų6423%0.22636%0.362CS..EExtended strand (participates in β ladder)trans-144.9142.7176.6-65.5-169-178.8160.77.1113.3L256 L257 K367 H368 D371 H384L256-R382 VanDerWaalsContact CD1-C 3.48Å; L257-R382 PolarHBondContact N-O 2.96Å; L257-R382 PolarHBondContact O-N 3.38Å; K367-R382 VanDerWaalsContact CB-NH1 3.33Å; K367-R382 PolarHBondContact O-NH1 3.15Å; H368-R382 VanDerWaalsContact N-NH1 3.17Å; D371-R382 IonicContact OD2-CZ 2.73Å; D371-R382 IonicContact OD2-NH1 3.68Å; D371-R382 PolarHBondContact OD2-NH1 3.38Å; D371-R382 IonicContact OD2-NH2 3.84Å; D371-R382 PolarHBondContact OD2-NH2 3.32Å; R382-H384 PolarHBondContact O-CD2 3.15Å; R382-H384 PolarHBondContact O-NE2 3.24Å
383W94.9Very high85.3Confident24 Ų2466 Ų669%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-78.4139.1170.7-72.799.3000111.1G164 R254 I255 L256 R274 A276G164-W383 VanDerWaalsContact CA-CE2 3.45Å; R254-W383 HydrophobicContact CB-CE3 3.92Å; R254-W383 HydrophobicContact CB-CZ3 4.31Å; I255-W383 CarbonylContact O-C 3.52Å; I255-W383 WeakPolarHBondContact O-CA 3.48Å; L256-W383 HydrophobicContact CB-CD2 3.83Å; L256-W383 HydrophobicContact CB-CE3 3.76Å; L256-W383 HydrophobicContact CB-CH2 3.84Å; L256-W383 HydrophobicContact CB-CZ2 3.88Å; L256-W383 HydrophobicContact CB-CZ3 3.77Å; L256-W383 HydrophobicContact CD1-CD2 4.08Å; L256-W383 HydrophobicContact CD1-CG 4.04Å; L256-W383 HydrophobicContact CD2-CZ2 3.99Å; L256-W383 HydrophobicContact CG-CD2 4.43Å; L256-W383 HydrophobicContact CG-CZ2 4.39Å; R274-W383 HydrophobicContact CG-CH2 3.9Å; R274-W383 HydrophobicContact CG-CZ2 4.41Å; A276-W383 HydrophobicContact CB-CH2 3.78Å; A276-W383 HydrophobicContact CB-CZ3 3.75Å
384H93.4Very high83Confident6 Ų669.1 Ų69.13%0.02841%0.41CS..EExtended strand (participates in β ladder)trans-129134.3174.9-59.9-79.6000110R254 I255 V355 H368 R382R254-H384 CarbonylContact C-O 3.59Å; R254-H384 WeakPolarHBondContact CA-O 3.3Å; R254-H384 WeakPolarHBondContact CB-O 3.43Å; I255-H384 HydrophobicContact CG2-CB 4.14Å; I255-H384 PolarHBondContact N-O 3.41Å; I255-H384 PolarHBondContact O-N 2.91Å; V355-H384 HydrophobicContact CB-CB 4.29Å; V355-H384 HydrophobicContact CG1-CB 4.19Å; V355-H384 HydrophobicContact CG2-CB 3.95Å; H368-H384 AromaticContact CE1-NE2 3.83Å; H368-H384 AromaticContact CG-NE2 3.88Å; H368-H384 AromaticContact ND1-CE1 3.6Å; H368-H384 AromaticContact ND1-NE2 3.01Å; H368-H384 PolarHBondContact ND1-NE2 2.95Å; R382-H384 PolarHBondContact O-CD2 3.15Å; R382-H384 PolarHBondContact O-NE2 3.24Å
385A91.4Very high80.6Confident67 Ų6766.2 Ų66.255%0.55442%0.417SS*.EExtended strand (participates in β ladder)trans-70.8137.6169.600000110.5
386L91.9Very high77.9Confident9 Ų965.2 Ų65.25%0.04743%0.426CS..PPolyproline II helixtrans-86.9133.9177.5-63.3173.2000110.2R252 G253 I255 L278 V340R252-L386 HydrophobicContact CB-CB 4.3Å; G253-L386 WeakPolarHBondContact O-CB 3.44Å; G253-L386 PolarHBondContact O-N 3.35Å; I255-L386 HydrophobicContact CB-CD2 4.19Å; I255-L386 HydrophobicContact CG2-CD2 3.7Å; I255-L386 HydrophobicContact CG2-CG 4.45Å; L278-L386 HydrophobicContact CD2-CD1 3.5Å; V340-L386 HydrophobicContact CB-CD1 4.23Å; V340-L386 HydrophobicContact CG2-CD1 3.77Å; V340-L386 HydrophobicContact CG2-CD2 3.79Å; V340-L386 HydrophobicContact CG2-CG 4.47Å
387T88.6Confident75.2Confident61 Ų6170.9 Ų70.937%0.37445%0.453SS..BIsolated β-bridgetrans-103.7149.3176.157.20000111.5G353 G354 E389G353-T387 CarbonylContact C-O 3.58Å; G353-T387 WeakPolarHBondContact CA-O 3.05Å; G354-T387 PolarHBondContact N-O 3.3Å; G354-T387 PolarHBondContact O-N 3.16Å; G354-T387 PolarHBondContact O-OG1 3.28Å; G354-T387 VanDerWaalsContact O-OG1 3.09Å; T387-E389 WeakPolarHBondContact CB-O 3.13Å; T387-E389 PolarHBondContact O-N 3.22Å; T387-E389 PolarHBondContact OG1-O 3.12Å
388S82.3Confident72.4Confident60 Ų6071.7 Ų71.742%0.4247%0.466SS..SBendtrans-66.8-20.6177.857.30000113.8F351F351-S388 WeakPolarHBondContact CE1-O 3.05Å
389E79Confident69.5Low153 Ų15375.9 Ų75.972%0.71549%0.493SS*.SBendtrans-132.8140.8174.4-64-178.9-178.600108.4T387T387-E389 WeakPolarHBondContact CB-O 3.13Å; T387-E389 PolarHBondContact O-N 3.22Å; T387-E389 PolarHBondContact OG1-O 3.12Å
390L68.3Low66.6Low49 Ų4980.2 Ų80.226%0.25753%0.529SS..PPolyproline II helixtrans-72.8133.7168.1-74.6175.8000108.5E337 T339E337-L390 HydrophobicContact CB-CD1 4.47Å; E337-L390 HydrophobicContact CG-CD1 4.5Å; T339-L390 HydrophobicContact CG2-CD1 3.53Å; T339-L390 HydrophobicContact CG2-CD2 4.13Å; T339-L390 HydrophobicContact CG2-CG 4.08Å
391P58.9Low65.1Low73 Ų7383 Ų8347%0.47455%0.549SS..PPolyproline II helixtrans-53.2133170.4-21.830.9000109.3A393P391-A393 PolarHBondContact O-N 3.48Å
392P52.5Low63.5Low112 Ų11280.9 Ų80.973%0.72755%0.548SS*.PPolyproline II helixtrans-55.4127.8178.620.4-30.5000108.8A394P392-A394 PolarHBondContact O-N 3.23Å
393A49.5Very low61.8Low45 Ų4582.1 Ų82.137%0.37257%0.566SS.*PPolyproline II helixtrans-52.1126.6176.200000108.5P391 G395 A396P391-A393 PolarHBondContact O-N 3.48Å; A393-G395 PolarHBondContact O-N 3.18Å; A393-A396 PolarHBondContact O-N 3.48Å; A393-A396 VanDerWaalsContact O-N 3.16Å
394A44.5Very low59.8Low100 Ų10085.5 Ų85.583%0.82659%0.594SS**THydrogen-bonded Turntrans-55.7101177.900000108.8P392P392-A394 PolarHBondContact O-N 3.23Å
395G43.1Very low57.7Low76 Ų7690.5 Ų90.578%0.78463%0.629SS**THydrogen-bonded Turntrans146.9-19.7-171.700000115.1A393 L397A393-G395 PolarHBondContact O-N 3.18Å; G395-L397 VanDerWaalsContact C-N 3.25Å; G395-L397 PolarHBondContact O-N 2.98Å
396A37.2Very low55.5Low83 Ų8392.1 Ų92.169%0.68663%0.634SS**  trans-81.872.1169.500000110.3A393 S398A393-A396 PolarHBondContact O-N 3.48Å; A393-A396 VanDerWaalsContact O-N 3.16Å; A396-S398 PolarHBondContact O-N 3.22Å
397L34.6Very low52.9Low168 Ų16898 Ų9888%0.8868%0.676SS**  trans-61.5117.5158.9-80.8162.9000106.7G395 S399G395-L397 VanDerWaalsContact C-N 3.25Å; G395-L397 PolarHBondContact O-N 2.98Å; L397-S399 PolarHBondContact O-N 3.33Å
398S33.9Very low50.1Low108 Ų108100.8 Ų100.876%0.75570%0.699SS**  trans-57.7110.9169.158.20000107.9A396 A400A396-S398 PolarHBondContact O-N 3.22Å; S398-A400 VanDerWaalsContact C-N 3.28Å; S398-A400 PolarHBondContact O-N 3.19Å
399S33.9Very low47.5Very low122 Ų122104.3 Ų104.385%0.85372%0.722SS**  trans-67.795.3160.853.70000106.9L397L397-S399 PolarHBondContact O-N 3.33Å
400A33.9Very low44.6Very low162 Ų16299.8 Ų99.8100%1.33972%0.723SS**  trans-770161.100000109.5S398S398-A400 VanDerWaalsContact C-N 3.28Å; S398-A400 PolarHBondContact O-N 3.19Å

Retrieved 400 of 400 residues in 418.1 ms (Link to these results)