A0A087Y9Q1_POEFO Loading...

HtrA serine peptidase 3a

AlphaFold DB , UniProt , Accession A0A087Y9Q1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 502 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.7Very low29.1Very low230 Ų230151.2 Ų151.2100%1.13375%0.749SS**  0111.30-70.8156.3168.800106.1
2L29.1Very low28.8Very low152 Ų152151.9 Ų151.980%0.79676%0.757SS**  64.18979.3-71.8164.5000110
3T28.7Very low28.4Very low116 Ų116146.5 Ų146.571%0.71276%0.763SS**  79.2139.990.352.30000113.2
4R29.5Very low28.1Very low210 Ų210143.4 Ų143.479%0.79277%0.77SS**  cis-155.1152.510.5-124.6-177174.2151.1-0.9109.8
5M28.2Very low27.8Very low144 Ų144141.7 Ų141.771%0.70977%0.773SS**  49.7140.8107-70.6174.915100116.1
6T30.5Very low27.6Very low106 Ų106145.3 Ų145.365%0.6577%0.773SS**  cis-163.1142.710.915.80000107.3
7D31.5Very low27.4Very low123 Ų123148.1 Ų148.166%0.65877%0.771SS**  62.1147.882.6-56.4-50.9000114.7
8H29.7Very low27.5Very low157 Ų157152.4 Ų152.473%0.72778%0.776SS**  cis-153.9-166.7-4.8-119.441.5000105.5
9E28.7Very low27.4Very low156 Ų156154.8 Ų154.873%0.72977%0.774SS**  cis-158.1-169.95.8-117.1-135.6102.500107
10V27.2Very low27.5Very low93 Ų93155.5 Ų155.556%0.56477%0.774SS**  -161.5166.1-80.71300000112.2
11F25.1Very low27.5Very low176 Ų176155.5 Ų155.577%0.77278%0.777SS**  trans78.3125.1159.8-78.1-32.3000126.6
12L25.4Very low27.2Very low160 Ų160149.5 Ų149.584%0.83876%0.758SS**  62.5136.3128.6-68.6165.1000123.7
13G23.7Very low26.9Very low82 Ų82154 Ų15485%0.84576%0.764SS**  trans163.787.6162.600000113.5
14A24.5Very low26.8Very low103 Ų103156.4 Ų156.485%0.85177%0.768SS**  trans-109.7146.5-179.600000112.5
15S24.1Very low26.7Very low117 Ų117151.1 Ų151.182%0.81876%0.763SS**  -175.4139.3123.3-173.90000114.5
16Y23.5Very low26.6Very low199 Ų199150.9 Ų150.978%0.7876%0.764SS**  trans-37.4158.1148.9-131.6-127.9000113.2
17R24.5Very low26.5Very low193 Ų193153.9 Ų153.973%0.72877%0.771SS**  -172.4148.861171.3171.8-87.9169.4-4.3113.1
18R29.8Very low26.4Very low227 Ų227154.9 Ų154.986%0.85778%0.776SS**  trans-91.3139.7167.8-172.3-163.3-57.7166.41110.9
19R24.6Very low26.2Very low197 Ų197156.8 Ų156.874%0.74378%0.782SS**  trans-156.3150.7159.9-154.2-179-80.7-170.1-5.2111.6
20H30.2Very low26.1Very low169 Ų169156.4 Ų156.478%0.78279%0.785SS**  trans-73.7160.5162.7-77.7-117.3000110.5
21D26.6Very low26Very low156 Ų156155 Ų15583%0.83479%0.789SS**  -157.4162.1117.7-90.1-38.1000109.3
22S26Very low26.1Very low104 Ų104157.4 Ų157.473%0.72780%0.795SS**  trans-99.2165.1174.259.20000110.8
23W23.7Very low26.2Very low246 Ų246156.5 Ų156.593%0.93279%0.79SS**  trans-170175.2139.2-116.664.9000110.5
24Q25.7Very low26.3Very low167 Ų167158 Ų15878%0.7879%0.787SS**  trans-110.6153.6-164.1-65.4178-64.800115.4
25S27.1Very low26.4Very low99 Ų99163 Ų16369%0.69279%0.786SS**  trans69.6125.4142.6-64.20000123
26N26.8Very low26.4Very low139 Ų139163.7 Ų163.774%0.74379%0.789SS**  trans92.4143.4131.6-78.40.4000123.7
27H29.2Very low26.5Very low169 Ų169164 Ų16478%0.78279%0.789SS**  trans82.2125.8160.9-68.5-59.7000121.8
28N28.7Very low26.7Very low144 Ų144160.6 Ų160.677%0.7778%0.781SS**  trans-53.1151.6173.4-44-32.4000113.6
29F25.2Very low26.5Very low196 Ų196156.7 Ų156.786%0.8678%0.776SS**  -161.7172.4114-126.3-121.4000114.4
30L26.9Very low26.7Very low149 Ų149154.2 Ų154.278%0.7878%0.777SS**  trans-55.4140.8-170-74.2155.9000118.2
31G25.8Very low26.6Very low64 Ų64149.8 Ų149.866%0.6677%0.77SS**  87112.194.100000120.4
32Y26.3Very low26.7Very low225 Ų225149.6 Ų149.688%0.88277%0.769SS**  trans-151.5147.7160.5-99.9-98.8000106.4
33L28.1Very low26.7Very low142 Ų142152.9 Ų152.974%0.74377%0.771SS**  cis-152.7140.7-6.6-152.2-176.7000106.6
34S25.5Very low26.8Very low112 Ų112148.1 Ų148.178%0.78376%0.757SS**  trans-151.6117.6167.7-175.10000110.9
35Y26.7Very low27Very low209 Ų209147.3 Ų147.382%0.8275%0.753SS**  trans-160.8121.4171.7-126.9-87.5000110.3
36C24.1Very low27Very low132 Ų132148.1 Ų148.189%0.89275%0.753SS**  -179.6120.4129.3-990000111.2
37R26.1Very low27Very low205 Ų205148.7 Ų148.777%0.77476%0.755SS**  trans-133.6158.8169.8-128.3178.4-176.6-134.17.8103.2
38E27.8Very low26.9Very low122 Ų122148 Ų14857%0.5776%0.757SS**  cis-164.1-166.517.2-164.4133.2-137.500107.7
39I26.6Very low26.9Very low145 Ų145151.8 Ų151.874%0.74476%0.762SS**  trans74.5135.1161.7-61.1160.1000115.9
40D28.2Very low26.9Very low144 Ų144146.8 Ų146.877%0.7775%0.752SS**  cis-174.9170-19.6-95.5-22.6000107.6
41A27.2Very low26.9Very low77 Ų77146.3 Ų146.364%0.63675%0.75SS**  cis-170.1-176.7-21.300000110.1
42D28.8Very low26.9Very low152 Ų152151.9 Ų151.981%0.81376%0.756SS**  trans73.5157.7154.7-79.8-12.9000124.3
43F25.8Very low26.8Very low172 Ų172148.8 Ų148.875%0.75475%0.752SS**  trans69.2129.4178.8-82.3-105.9000118.9
44F27.1Very low26.8Very low146 Ų146151.7 Ų151.764%0.6475%0.753SS**  cis-166.3161.5-12-144.2-131.7000113.3
45H28.4Very low26.9Very low151 Ų151152.9 Ų152.970%0.69976%0.756SS**  trans58.8108156.3-87.4-18.8000124.9
46T27.7Very low26.9Very low115 Ų115152.2 Ų152.271%0.70676%0.757SS**  78.3128.7116.4-41.20000122.6
47I27.1Very low27.1Very low152 Ų152154.1 Ų154.178%0.77976%0.757SS**  trans-92.2137.6163.2-61.5160.7000109.3
48N27.1Very low27.1Very low155 Ų155153.4 Ų153.483%0.82976%0.76SS**  trans-152.9161.6145.6-140.2-21.6000113.4
49Y28.3Very low27.4Very low222 Ų222153.1 Ų153.187%0.87177%0.769SS**  trans-151.986.6-162.2-154.9-72.9000111.2
50S25.8Very low27.4Very low92 Ų92150.7 Ų150.764%0.64377%0.765SS**  trans-156.4151.6170.180.20000114.2
51D26.2Very low27.4Very low138 Ų138150.2 Ų150.274%0.73876%0.758SS**  trans63.3148.2159-50.2-48.8000118.2
52F26.3Very low27.6Very low182 Ų182154.8 Ų154.880%0.79877%0.771SS**  cis-144.2150.333.4-139.8-90000113.5R54F52-R54 VanDerWaalsContact CE1-O 3.26Å; F52-R54 WeakPolarHBondContact CE1-O 3.25Å
53M24.5Very low27.6Very low159 Ų159156.5 Ų156.578%0.78377%0.766SS**  trans-149.2118.5175.2-129.6-71.3-174.700111.5
54R27.1Very low27.8Very low203 Ų203155 Ų15577%0.76677%0.771SS**  trans69.1145.1-175.1-47.3177.9-178.8-176.7-0.6111.7F52F52-R54 VanDerWaalsContact CE1-O 3.26Å; F52-R54 WeakPolarHBondContact CE1-O 3.25Å
55T27.3Very low28.3Very low138 Ų138153.6 Ų153.685%0.84778%0.776SS**  -141179.352.210.20000115.4
56K26.9Very low28.5Very low194 Ų194153.6 Ų153.684%0.84379%0.786SS**  trans-67.9156.2176.4-48.2168.8-178.51750112
57L28.6Very low28.6Very low172 Ų172157.3 Ų157.390%0.90179%0.793SS**  -161.8158.4129.1-108.3163.3000112
58F25.6Very low28.6Very low191 Ų191157.4 Ų157.484%0.83879%0.792SS**  trans-84.6151170.2-84.4-97.5000109.5
59P34.6Very low28.8Very low115 Ų115161 Ų16175%0.74779%0.794SS**  -141.3138.286.336.5-19.5000113.1
60S27.3Very low28.8Very low95 Ų95158.9 Ų158.966%0.66479%0.789SS**  87.6138.876.189.90000115.4
61E28.2Very low29Very low133 Ų133163.5 Ų163.562%0.62180%0.798SS**  trans51.5105.4158.7-71.2-65.1136.100119.5R63E61-R63 IonicContact OE1-NH2 3.9Å
62L31.1Very low29.5Very low174 Ų174162.5 Ų162.591%0.91180%0.799SS**  -150.3124.6122.2-138.775.9000111.5
63R29Very low29.8Very low188 Ų188158.5 Ų158.571%0.70980%0.8SS**  trans-81.5162.7160.6-60.4175.8-168.91724.5107.2E61E61-R63 IonicContact OE1-NH2 3.9Å
64V30.3Very low30.2Very low141 Ų141158.7 Ų158.786%0.85580%0.803SS**  -159170.258.3-95.50000111.4
65P37.2Very low30.5Very low116 Ų116153 Ų15375%0.75380%0.8SS**  trans-111.1163.1-152.440.7-35000116.1
66V32.4Very low30.8Very low150 Ų150151.9 Ų151.991%0.90979%0.793SS**  trans-128.3139156.2-173.70000110.1
67K29.5Very low30.9Very low194 Ų194150.9 Ų150.984%0.84379%0.788SS**  trans-72.3141.7-165.6-65.8164177.21710113.5
68M27.5Very low31.2Very low154 Ų154149.6 Ų149.676%0.75978%0.782SS**  trans-57.4142.9154.9-75.7162.659.500110.6F70M68-F70 HydrophobicContact CE-CD2 4.13Å; M68-F70 HydrophobicContact CE-CE2 3.51Å; M68-F70 HydrophobicContact CE-CZ 4.19Å
69R31.8Very low31.4Very low231 Ų231148.8 Ų148.887%0.87278%0.778SS**  trans-123.9115.7155.2-85.7-174.5166178.1-4.1108.5
70F27.8Very low31.3Very low176 Ų176151 Ų15177%0.77278%0.776SS**  trans-68.8139.8161.1-84.3-93.7000109.2M68M68-F70 HydrophobicContact CE-CD2 4.13Å; M68-F70 HydrophobicContact CE-CE2 3.51Å; M68-F70 HydrophobicContact CE-CZ 4.19Å
71F30.5Very low31.9Very low189 Ų189152.4 Ų152.483%0.82978%0.781SS**  trans-130.5147.8146.8-102.3-96.7000107.8
72P36.1Very low32.2Very low117 Ų117155 Ų15576%0.7679%0.786SS**  trans-82.8172.8-165.234.2-36.4000113.2
73A32.3Very low32.3Very low98 Ų98150.5 Ų150.581%0.8178%0.782SS**  trans-66.3149.3179.800000113.2
74L32.3Very low32.4Very low163 Ų163149.9 Ų149.985%0.85379%0.792SS**  trans-135.2109.8150.7-147.3125.9000108.1V76L74-V76 HydrophobicContact CD2-CG2 4.39Å
75A33.3Very low32.7Very low85 Ų85148.8 Ų148.870%0.70279%0.791SS**  trans-87.1120.4-177.800000110
76V34Very low32.4Very low114 Ų114151.9 Ų151.969%0.69180%0.795SS**  trans-108.198.8168.9-179.80000108.1L74 L78L74-V76 HydrophobicContact CD2-CG2 4.39Å; V76-L78 PolarHBondContact O-N 3Å
77F30.3Very low32.6Very low172 Ų172149.4 Ų149.475%0.75479%0.79SS**  trans-72.8106.9171.8-101.8-98.7000109.6F79F77-F79 HydrophobicContact CD1-CD2 4.33Å; F77-F79 AromaticContact CD1-CE2 3.94Å; F77-F79 HydrophobicContact CD1-CE2 3.94Å
78L33.6Very low32.9Very low145 Ų145144.5 Ų144.576%0.75979%0.786SS**  trans-100.7107.3160.9-82.2169.1000109V76 F80V76-L78 PolarHBondContact O-N 3Å; L78-F80 PolarHBondContact O-N 2.67Å
79F31.1Very low33.5Very low175 Ų175147.8 Ų147.877%0.76879%0.79SS**  trans-68.793.6173.1-88.3-99.9000110.2F77F77-F79 HydrophobicContact CD1-CD2 4.33Å; F77-F79 AromaticContact CD1-CE2 3.94Å; F77-F79 HydrophobicContact CD1-CE2 3.94Å
80F31.9Very low34Very low160 Ų160142.7 Ų142.770%0.70279%0.787SS**  trans-90.9100.2160.3-105.8-78.2000109.8L78 Y82L78-F80 PolarHBondContact O-N 2.67Å; F80-Y82 HydrophobicContact CB-CD2 4.26Å; F80-Y82 HydrophobicContact CB-CE2 4.18Å; F80-Y82 HydrophobicContact CD1-CD2 4.35Å; F80-Y82 AromaticContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CE1-CE2 4.39Å; F80-Y82 HydrophobicContact CG-CE2 4.21Å; F80-Y82 PolarHBondContact O-N 2.74Å
81T39.2Very low35Very low125 Ų125142.9 Ų142.977%0.76779%0.79SS**  trans-71.691.1176.750.40000110.8
82Y34.8Very low36.7Very low188 Ų188143.7 Ų143.774%0.73779%0.793SS**  trans-103.7123.8160.5-73.3-75.8000109F80 L84F80-Y82 HydrophobicContact CB-CD2 4.26Å; F80-Y82 HydrophobicContact CB-CE2 4.18Å; F80-Y82 HydrophobicContact CD1-CD2 4.35Å; F80-Y82 AromaticContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CD1-CE2 3.56Å; F80-Y82 HydrophobicContact CE1-CE2 4.39Å; F80-Y82 HydrophobicContact CG-CE2 4.21Å; F80-Y82 PolarHBondContact O-N 2.74Å; Y82-L84 PolarHBondContact O-N 3.26Å
83G33.8Very low38.3Very low79 Ų79141.4 Ų141.481%0.81478%0.779SS**  trans-60125.7-171.400000112.3S85G83-S85 PolarHBondContact O-N 2.91Å
84L30.7Very low40.1Very low176 Ų176139.6 Ų139.692%0.92177%0.77SS**  trans-65103162.9-74.3169.8000107.6Y82 E86Y82-L84 PolarHBondContact O-N 3.26Å; L84-E86 PolarHBondContact O-N 2.92Å
85S35.7Very low41.8Very low118 Ų118138 Ų13883%0.82577%0.772SS**  trans-57.2125.8171.4-168.80000108.8G83 A87G83-S85 PolarHBondContact O-N 2.91Å; S85-A87 PolarHBondContact O-N 3.39Å
86E31.4Very low43.6Very low180 Ų180145.1 Ų145.184%0.84178%0.781SS**  trans-62.8125.5-167.9-168167.5-174.300110.8L84 A88L84-E86 PolarHBondContact O-N 2.92Å; E86-A88 PolarHBondContact O-N 2.77Å
87A36.9Very low45.7Very low98 Ų98143.1 Ų143.181%0.8177%0.772SS**  trans-74.479.3-179.300000110S85 R89S85-A87 PolarHBondContact O-N 3.39Å; A87-R89 PolarHBondContact O-N 3.46Å
88A35.3Very low48.1Very low92 Ų92138.7 Ų138.776%0.7676%0.756SS**  trans-48.7130.8-17500000112E86E86-A88 PolarHBondContact O-N 2.77Å
89R40Very low50.3Low222 Ų222136.4 Ų136.484%0.83875%0.748SS**  trans-65.3151.4177.7-65.2177.5-179.5176.40.8109.7A87 E91A87-R89 PolarHBondContact O-N 3.46Å; R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.1Å
90P42.9Very low52.6Low125 Ų125133.2 Ų133.281%0.81275%0.747SS**  trans-73.785.6179.430.9-35.2000110.7
91E50.2Low54.9Low179 Ų179130.2 Ų130.284%0.83675%0.746SS**PPolyproline II helixtrans-65154.8168.3-61.6-158.6137.800111.1R89R89-E91 VanDerWaalsContact C-N 3.32Å; R89-E91 PolarHBondContact O-N 3.1Å
92K64.3Low57Low206 Ų206125.3 Ų125.390%0.89672%0.717SS**PPolyproline II helixtrans-78127.9176.5-62.7174.7-176172.80108.2G94K92-G94 PolarHBondContact O-N 3.01Å
93C70.6Confident59Low69 Ų69120.6 Ų120.647%0.46671%0.709SS.*PPolyproline II helixtrans-50.7129.1177.1-62.80000112C116C93-C116 VanDerWaalsContact CA-SG 3.55Å; C93-C116 HydrophobicContact CB-CB 3.63Å; C93-C116 WeakPolarHBondContact CB-SG 3.19Å; C93-C116 WeakPolarHBondContact SG-CA 3.39Å; C93-C116 WeakPolarHBondContact SG-CB 3.47Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.88Å
94G69.6Low60.8Low60 Ų60122.6 Ų122.662%0.61971%0.71SS**PPolyproline II helixtrans-66.8152.417400000112.4K92 R96K92-G94 PolarHBondContact O-N 3.01Å; G94-R96 PolarHBondContact O-N 3.46Å
95S69.4Low63.1Low129 Ų129116.5 Ų116.590%0.90268%0.681SS**SBendtrans-75.4-10.1178.354.60000114.2
96R69.9Low65.1Low236 Ų236115.1 Ų115.189%0.89167%0.671SS**SBendtrans-133.2150.6165.3-73.6-176.5172.7175.2-2.5108.1G94G94-R96 PolarHBondContact O-N 3.46Å
97C79.2Confident67.4Low72 Ų72106.7 Ų106.749%0.48663%0.633SS.*  trans-133.5146.3-178.1103.90000109.5C118C97-C118 HydrophobicContact CB-CB 3.6Å; C97-C118 WeakPolarHBondContact CB-SG 3.28Å; C97-C118 VanDerWaalsContact SG-CA 3.57Å; C97-C118 WeakPolarHBondContact SG-CB 3.26Å; C97-C118 CovalentContact SG-SG 2.03Å; C97-C118 PolarHBondContact SG-SG 3.3Å
98D80.4Confident68.7Low79 Ų79103.4 Ų103.442%0.42260%0.603SS.*  trans-102.4113.4175.7169.835.7000110S100 S101D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 2.94Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.08Å; D98-S101 VanDerWaalsContact OD2-CB 3.23Å; D98-S101 WeakPolarHBondContact OD2-CB 3.25Å; D98-S101 PolarHBondContact OD2-N 3.33Å; D98-S101 VanDerWaalsContact OD2-N 3.11Å; D98-S101 PolarHBondContact OD2-OG 2.7Å
99V79.4Confident70.3Confident97 Ų9799.6 Ų99.659%0.58857%0.573SS**SBendtrans-76.9-20.2179.5-1730000111.6S101 C102V99-S101 VanDerWaalsContact C-N 3.35Å; V99-C102 VanDerWaalsContact O-CB 3.31Å; V99-C102 WeakPolarHBondContact O-CB 3.48Å; V99-C102 PolarHBondContact O-N 2.98Å
100S79.2Confident72.1Confident108 Ų10889.4 Ų89.476%0.75554%0.536SS*.THydrogen-bonded Turntrans-72.3-28.2-179.973.60000113.1D98 C102D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 VanDerWaalsContact CG-OG 3.23Å; D98-S100 WeakPolarHBondContact OD1-CB 3.48Å; D98-S100 PolarHBondContact OD1-N 2.94Å; D98-S100 PolarHBondContact OD1-OG 3.43Å; D98-S100 PolarHBondContact OD2-OG 3.08Å; S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.67Å
101S80.5Confident74Confident96 Ų9688.6 Ų88.667%0.67152%0.518SS*.THydrogen-bonded Turntrans-79.5-1.1172.1-640000114.5D98 V99D98-S101 VanDerWaalsContact OD2-CB 3.23Å; D98-S101 WeakPolarHBondContact OD2-CB 3.25Å; D98-S101 PolarHBondContact OD2-N 3.33Å; D98-S101 VanDerWaalsContact OD2-N 3.11Å; D98-S101 PolarHBondContact OD2-OG 2.7Å; V99-S101 VanDerWaalsContact C-N 3.35Å
102C82.1Confident75.7Confident23 Ų2380.6 Ų80.616%0.15548%0.482CS..  trans-70.6133.6-176.5-72.70000112.6V99 S100 C119V99-C102 VanDerWaalsContact O-CB 3.31Å; V99-C102 WeakPolarHBondContact O-CB 3.48Å; V99-C102 PolarHBondContact O-N 2.98Å; S100-C102 VanDerWaalsContact C-N 3.29Å; S100-C102 PolarHBondContact O-N 2.67Å; C102-C119 VanDerWaalsContact CA-SG 3.5Å; C102-C119 HydrophobicContact CB-CB 3.71Å; C102-C119 WeakPolarHBondContact CB-SG 3.27Å; C102-C119 WeakPolarHBondContact SG-CA 3.37Å; C102-C119 WeakPolarHBondContact SG-CB 3.44Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3Å
103P77.6Confident76.6Confident88 Ų8874 Ų7457%0.57146%0.46SS*.  trans-64.9144171.229.3-34.8000110.2P105P103-P105 WeakPolarHBondContact O-CD 3.35Å
104S72.6Confident77.2Confident122 Ų12272.6 Ų72.685%0.85345%0.447SS*.  trans-108.967.7177.4-69.20000112.1
105P77.8Confident77.6Confident47 Ų4775.8 Ų75.831%0.30544%0.444SS..  trans-70.7140-178.229.9-35.1000111.7P103 C107 Y111P103-P105 WeakPolarHBondContact O-CD 3.35Å; P105-C107 PolarHBondContact O-N 3.2Å; P105-C107 PolarHBondContact O-SG 3.02Å; P105-Y111 VanDerWaalsContact O-CE1 3.28Å; P105-Y111 WeakPolarHBondContact O-CE1 3.45Å; P105-Y111 PolarHBondContact O-OH 3.1Å; P105-Y111 VanDerWaalsContact O-OH 3.1Å
106S77.6Confident78.2Confident89 Ų8973 Ų7362%0.62242%0.424SS*.  trans-74.5107.9172.1-174.90000110.7P108 Q194S106-P108 VanDerWaalsContact O-CD 3.27Å; S106-P108 WeakPolarHBondContact O-CD 3.4Å; S106-Q194 PolarHBondContact OG-NE2 2.93Å
107C79.1Confident78.6Confident4 Ų464.3 Ų64.33%0.02741%0.408CS..  trans-111.993.7-172.9-58.60000113P105 G109 G110 Y111 C122P105-C107 PolarHBondContact O-N 3.2Å; P105-C107 PolarHBondContact O-SG 3.02Å; C107-G109 PolarHBondContact O-N 3.42Å; C107-G109 VanDerWaalsContact O-N 3.07Å; C107-G110 VanDerWaalsContact CB-O 3.29Å; C107-G110 WeakPolarHBondContact CB-O 3.43Å; C107-G110 PolarHBondContact O-N 3.19Å; C107-G110 VanDerWaalsContact O-N 3.08Å; C107-Y111 HydrophobicContact CB-CD1 3.96Å; C107-Y111 HydrophobicContact CB-CE1 3.58Å; C107-Y111 HydrophobicContact CB-CE2 4.49Å; C107-Y111 PolarHBondContact N-OH 2.93Å; C107-Y111 WeakPolarHBondContact SG-CE1 3.23Å; C107-C122 HydrophobicContact CB-CB 3.77Å; C107-C122 WeakPolarHBondContact CB-SG 3.33Å; C107-C122 WeakPolarHBondContact SG-CA 3.47Å; C107-C122 WeakPolarHBondContact SG-CB 3.42Å; C107-C122 PolarHBondContact SG-N 3.29Å; C107-C122 CovalentContact SG-SG 2.04Å; C107-C122 PolarHBondContact SG-SG 3.23Å
108P65.6Low78.8Confident29 Ų2962 Ų6219%0.18839%0.393CS..THydrogen-bonded Turntrans-60.2-20.5176.7-13.518.7000114.3S106 G110 R190 R191 Q194S106-P108 VanDerWaalsContact O-CD 3.27Å; S106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-G110 VanDerWaalsContact C-N 3.32Å; P108-R190 PolarHBondContact O-NE 2.92Å; P108-R191 HydrophobicContact CB-CB 4.37Å; P108-Q194 VanDerWaalsContact CG-OE1 3.28Å
109G68.2Low79Confident12 Ų1259.2 Ų59.212%0.12438%0.379CS..THydrogen-bonded Turntrans-69.1-27.9176.500000113.5C107 S123 R190C107-G109 PolarHBondContact O-N 3.42Å; C107-G109 VanDerWaalsContact O-N 3.07Å; G109-S123 PolarHBondContact O-OG 3.39Å; G109-R190 PolarHBondContact O-NH2 2.98Å
110G77Confident79.3Confident7 Ų759.4 Ų59.47%0.07238%0.376CS..  trans110.4178-157.400000110.9C107 P108 S123C107-G110 VanDerWaalsContact CB-O 3.29Å; C107-G110 WeakPolarHBondContact CB-O 3.43Å; C107-G110 PolarHBondContact O-N 3.19Å; C107-G110 VanDerWaalsContact O-N 3.08Å; P108-G110 VanDerWaalsContact C-N 3.32Å; G110-S123 PolarHBondContact O-N 3.04Å; G110-S123 PolarHBondContact O-OG 3.39Å
111Y84.1Confident79.7Confident108 Ų10856.1 Ų56.142%0.42435%0.351SS..EExtended strand (participates in β ladder)trans-120.3151178.6-61.2-84.9000110.4P105 C107 L120 V121P105-Y111 VanDerWaalsContact O-CE1 3.28Å; P105-Y111 WeakPolarHBondContact O-CE1 3.45Å; P105-Y111 PolarHBondContact O-OH 3.1Å; P105-Y111 VanDerWaalsContact O-OH 3.1Å; C107-Y111 HydrophobicContact CB-CD1 3.96Å; C107-Y111 HydrophobicContact CB-CE1 3.58Å; C107-Y111 HydrophobicContact CB-CE2 4.49Å; C107-Y111 PolarHBondContact N-OH 2.93Å; C107-Y111 WeakPolarHBondContact SG-CE1 3.23Å; Y111-L120 HydrophobicContact CD1-CB 4.15Å; Y111-L120 HydrophobicContact CG-CB 4.38Å; Y111-V121 CarbonylContact C-O 3.56Å; Y111-V121 WeakPolarHBondContact CA-O 3.26Å
112V84.9Confident80Confident12 Ų1254 Ų547%0.07334%0.336CS..EExtended strand (participates in β ladder)trans-134.4156.1165.8-65.20000109.2V121 L136 P137V112-V121 HydrophobicContact CG2-CG2 4.07Å; V112-V121 PolarHBondContact N-O 2.95Å; V112-V121 WeakPolarHBondContact O-CG2 3.3Å; V112-V121 PolarHBondContact O-N 3.35Å; V112-L136 HydrophobicContact CG2-CB 4.32Å; V112-L136 HydrophobicContact CG2-CD1 4.38Å; V112-P137 HydrophobicContact CB-CG 4.03Å; V112-P137 HydrophobicContact CG1-CG 4.14Å; V112-P137 HydrophobicContact CG2-CG 4.37Å
113P84.4Confident80.1Confident67 Ų6753.2 Ų53.244%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-59.5148.2168.7-19.832.3000111.2C119P113-C119 CarbonylContact C-O 3.56Å; P113-C119 WeakPolarHBondContact CA-O 3.16Å
114D82.1Confident80.6Confident39 Ų3949.7 Ų49.721%0.20931%0.308CS..  trans-65.5-179.6167.26933.2000112.5C116 G117 C118 C119 V121D114-C116 PolarHBondContact O-N 3Å; D114-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact OD1-C 3.32Å; D114-C116 VanDerWaalsContact OD1-CA 3.3Å; D114-C116 WeakPolarHBondContact OD1-CA 3.36Å; D114-C116 WeakPolarHBondContact OD1-CB 3.22Å; D114-C116 PolarHBondContact OD1-N 2.69Å; D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.06Å; D114-C118 PolarHBondContact OD1-N 3.48Å; D114-C119 PolarHBondContact N-O 3Å; D114-C119 WeakPolarHBondContact OD2-CB 3.36Å; D114-C119 PolarHBondContact OD2-N 3.39Å; D114-V121 HydrophobicContact CB-CG1 4.15Å; D114-V121 HydrophobicContact CB-CG2 4.38Å
115K78.4Confident81.2Confident128 Ų12850.8 Ų50.856%0.55729%0.293SS*.THydrogen-bonded Turntrans-63-18.6-179.2-68.2-176177.7179.80114.8N134 L136K115-N134 WeakPolarHBondContact CE-O 3.32Å; K115-N134 PolarHBondContact NZ-O 2.6Å; K115-N134 PolarHBondContact NZ-OD1 3.11Å; K115-L136 HydrophobicContact CG-CD2 4.36Å
116C81.4Confident81.5Confident69 Ų6951.2 Ų51.247%0.46629%0.291SS..THydrogen-bonded Turntrans-102.6-2.2179.2-56.80000112.4C93 D114 C118C93-C116 VanDerWaalsContact CA-SG 3.55Å; C93-C116 HydrophobicContact CB-CB 3.63Å; C93-C116 WeakPolarHBondContact CB-SG 3.19Å; C93-C116 WeakPolarHBondContact SG-CA 3.39Å; C93-C116 WeakPolarHBondContact SG-CB 3.47Å; C93-C116 CovalentContact SG-SG 2.04Å; C93-C116 PolarHBondContact SG-SG 2.88Å; D114-C116 PolarHBondContact O-N 3Å; D114-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact OD1-C 3.32Å; D114-C116 VanDerWaalsContact OD1-CA 3.3Å; D114-C116 WeakPolarHBondContact OD1-CA 3.36Å; D114-C116 WeakPolarHBondContact OD1-CB 3.22Å; D114-C116 PolarHBondContact OD1-N 2.69Å; C116-C118 VanDerWaalsContact C-N 3.29Å
117G79.8Confident81.7Confident55 Ų5549.4 Ų49.457%0.56729%0.286SS*.SBendtrans73.615.8-176.200000114.3D114D114-G117 PolarHBondContact O-N 2.7Å; D114-G117 VanDerWaalsContact O-N 3.07Å; D114-G117 PolarHBondContact OD1-N 3.06Å
118C83.3Confident82.1Confident24 Ų2452.3 Ų52.316%0.16230%0.302CS..  trans-94.5-69.1-171-170.10000113.3C97 D114 C116C97-C118 HydrophobicContact CB-CB 3.6Å; C97-C118 WeakPolarHBondContact CB-SG 3.28Å; C97-C118 VanDerWaalsContact SG-CA 3.57Å; C97-C118 WeakPolarHBondContact SG-CB 3.26Å; C97-C118 CovalentContact SG-SG 2.03Å; C97-C118 PolarHBondContact SG-SG 3.3Å; D114-C118 PolarHBondContact OD1-N 3.48Å; C116-C118 VanDerWaalsContact C-N 3.29Å
119C84.6Confident83Confident20 Ų2054.4 Ų54.414%0.13532%0.315CS..SBendtrans-91.4150.6-176.2-59.70000111.7C102 P113 D114C102-C119 VanDerWaalsContact CA-SG 3.5Å; C102-C119 HydrophobicContact CB-CB 3.71Å; C102-C119 WeakPolarHBondContact CB-SG 3.27Å; C102-C119 WeakPolarHBondContact SG-CA 3.37Å; C102-C119 WeakPolarHBondContact SG-CB 3.44Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3Å; P113-C119 CarbonylContact C-O 3.56Å; P113-C119 WeakPolarHBondContact CA-O 3.16Å; D114-C119 PolarHBondContact N-O 3Å; D114-C119 WeakPolarHBondContact OD2-CB 3.36Å; D114-C119 PolarHBondContact OD2-N 3.39Å
120L86.1Confident83.9Confident100 Ų10054 Ų5452%0.52431%0.31SS..EExtended strand (participates in β ladder)trans-85.7110.5170.7-70.6179.4000110Y111Y111-L120 HydrophobicContact CD1-CB 4.15Å; Y111-L120 HydrophobicContact CG-CB 4.38Å
121V86.9Confident83.9Confident39 Ų3956.3 Ų56.324%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-104.6161177.6-64.70000110.9Y111 V112 D114 S123 L136Y111-V121 CarbonylContact C-O 3.56Å; Y111-V121 WeakPolarHBondContact CA-O 3.26Å; V112-V121 HydrophobicContact CG2-CG2 4.07Å; V112-V121 PolarHBondContact N-O 2.95Å; V112-V121 WeakPolarHBondContact O-CG2 3.3Å; V112-V121 PolarHBondContact O-N 3.35Å; D114-V121 HydrophobicContact CB-CG1 4.15Å; D114-V121 HydrophobicContact CB-CG2 4.38Å; V121-S123 PolarHBondContact O-N 2.99Å; V121-L136 HydrophobicContact CG2-CD1 3.74Å; V121-L136 HydrophobicContact CG2-CD2 4.34Å
122C85.9Confident83.7Confident52 Ų5256 Ų5635%0.35133%0.332SS..EExtended strand (participates in β ladder)trans-59.8128.5178.4-68.70000111.4C107C107-C122 HydrophobicContact CB-CB 3.77Å; C107-C122 WeakPolarHBondContact CB-SG 3.33Å; C107-C122 WeakPolarHBondContact SG-CA 3.47Å; C107-C122 WeakPolarHBondContact SG-CB 3.42Å; C107-C122 PolarHBondContact SG-N 3.29Å; C107-C122 CovalentContact SG-SG 2.04Å; C107-C122 PolarHBondContact SG-SG 3.23Å
123S85.5Confident83.2Confident6 Ų665.9 Ų65.94%0.04237%0.374CS..PPolyproline II helixtrans-64.4136177.8680000112G109 G110 V121 R125G109-S123 PolarHBondContact O-OG 3.39Å; G110-S123 PolarHBondContact O-N 3.04Å; G110-S123 PolarHBondContact O-OG 3.39Å; V121-S123 PolarHBondContact O-N 2.99Å; S123-R125 PolarHBondContact O-N 3.45Å
124P86.6Confident82.9Confident14 Ų1467.7 Ų67.79%0.09138%0.38CS..PPolyproline II helixtrans-47.3135.3162.5-26.733.2000111.9D128 L136 P137 G139 L142P124-D128 HydrophobicContact CB-CB 3.97Å; P124-L136 HydrophobicContact CG-CB 3.62Å; P124-P137 VanDerWaalsContact CD-O 3.24Å; P124-P137 WeakPolarHBondContact CD-O 3.46Å; P124-P137 WeakPolarHBondContact CG-O 3.45Å; P124-G139 PolarHBondContact O-N 2.62Å; P124-L142 WeakPolarHBondContact O-CD1 3.37Å
125R85.2Confident82.8Confident145 Ų14567.8 Ų67.855%0.54738%0.381SS..PPolyproline II helixtrans-94174-176.3-56.4-179.4-176.31774.7110.6S123 G127 D128 C163S123-R125 PolarHBondContact O-N 3.45Å; R125-G127 PolarHBondContact O-N 2.92Å; R125-D128 WeakPolarHBondContact CB-OD2 3.35Å; R125-D128 PolarHBondContact N-OD2 3.13Å; R125-D128 WeakPolarHBondContact O-CB 3.05Å; R125-D128 PolarHBondContact O-N 3.44Å; R125-D128 VanDerWaalsContact O-N 3.11Å; R125-C163 VanDerWaalsContact O-CB 3.29Å; R125-C163 WeakPolarHBondContact O-CB 3.49Å
126E84.9Confident83.1Confident57 Ų5764 Ų6427%0.26637%0.366SS..THydrogen-bonded Turntrans-61.3127170.8-176.6160.7-107.100111L142 C163 C165 N181 K184E126-L142 HydrophobicContact CB-CD2 3.9Å; E126-C163 CarbonylContact C-O 3.47Å; E126-C163 WeakPolarHBondContact CA-O 3.31Å; E126-C165 WeakPolarHBondContact OE1-CB 3.48Å; E126-C165 PolarHBondContact OE1-N 2.81Å; E126-N181 VanDerWaalsContact CD-ND2 3.28Å; E126-N181 PolarHBondContact OE1-ND2 3.47Å; E126-N181 PolarHBondContact OE2-ND2 2.92Å; E126-K184 VanDerWaalsContact OE2-CE 3.3Å; E126-K184 WeakPolarHBondContact OE2-CE 3.35Å; E126-K184 IonicContact OE2-NZ 2.76Å; E126-K184 PolarHBondContact OE2-NZ 2.98Å
127G82.3Confident83.3Confident50 Ų5064.5 Ų64.552%0.51537%0.368SS..THydrogen-bonded Turntrans97.3-19.6-173.500000115R125 C163R125-G127 PolarHBondContact O-N 2.92Å; G127-C163 PolarHBondContact N-O 3.39Å
128D86.6Confident83.6Confident66 Ų6663 Ų6335%0.35335%0.349SS..  trans-69.4148.8-179.4-72.6-20.4000111.8P124 R125 V162 C163P124-D128 HydrophobicContact CB-CB 3.97Å; R125-D128 WeakPolarHBondContact CB-OD2 3.35Å; R125-D128 PolarHBondContact N-OD2 3.13Å; R125-D128 WeakPolarHBondContact O-CB 3.05Å; R125-D128 PolarHBondContact O-N 3.44Å; R125-D128 VanDerWaalsContact O-N 3.11Å; D128-V162 WeakPolarHBondContact O-CA 3.42Å; D128-C163 PolarHBondContact O-N 2.76Å
129P85.3Confident83.5Confident73 Ų7362.2 Ų62.247%0.47435%0.345SS..EExtended strand (participates in β ladder)trans-69.2143.4-177.829-35.7000112.3
130C85.9Confident83.2Confident3 Ų366.7 Ų66.72%0.0237%0.367CS..EExtended strand (participates in β ladder)trans-149.9169.1178.866.40000112.4D135 C144 G161 V162C130-D135 VanDerWaalsContact CA-OD2 3.27Å; C130-D135 WeakPolarHBondContact CA-OD2 3.45Å; C130-C144 HydrophobicContact CB-CB 3.9Å; C130-C144 WeakPolarHBondContact CB-SG 3.04Å; C130-C144 WeakPolarHBondContact SG-CA 3.29Å; C130-C144 WeakPolarHBondContact SG-CB 3.17Å; C130-C144 CovalentContact SG-SG 2.03Å; C130-C144 PolarHBondContact SG-SG 2.88Å; C130-G161 PolarHBondContact N-O 2.89Å; C130-G161 CarbonylContact O-C 3.6Å; C130-G161 WeakPolarHBondContact O-CA 3.35Å; C130-G161 PolarHBondContact O-N 3.32Å; C130-V162 PolarHBondContact SG-N 2.83Å; C130-V162 VanDerWaalsContact SG-N 3.43Å
131G77.4Confident83Confident55 Ų5563.6 Ų63.657%0.56736%0.36SS*.SBendtrans90.4-5.7171.200000115.4D135G131-D135 PolarHBondContact N-OD2 3Å
132R80.6Confident83Confident103 Ų10362.6 Ų62.639%0.38935%0.353SS..SBendtrans-83.8156.5166.2-50.1169.8-173.4171.47.4109.9N134 D135R132-N134 PolarHBondContact O-N 2.78Å; R132-D135 WeakPolarHBondContact CB-OD2 2.93Å; R132-D135 WeakPolarHBondContact CG-OD2 2.97Å; R132-D135 PolarHBondContact N-OD2 3.45Å; R132-D135 PolarHBondContact O-N 3.14Å; R132-D135 VanDerWaalsContact O-N 3.07Å
133K74.5Confident83.1Confident219 Ų21963.3 Ų63.395%0.95235%0.351SS*.THydrogen-bonded Turntrans-54.3-13.3173.5-171.8174.6179.7-179.50114.8
134N76.8Confident83.2Confident105 Ų10565.8 Ų65.856%0.56137%0.368SS*.THydrogen-bonded Turntrans-116.32.3-175.9-102.8-33.3000114.2K115 R132K115-N134 WeakPolarHBondContact CE-O 3.32Å; K115-N134 PolarHBondContact NZ-O 2.6Å; K115-N134 PolarHBondContact NZ-OD1 3.11Å; R132-N134 PolarHBondContact O-N 2.78Å
135D81.9Confident83.3Confident41 Ų4168.9 Ų68.922%0.21938%0.38CS..SBendtrans-93.3153.8179.3-51-22.8000110C130 G131 R132C130-D135 VanDerWaalsContact CA-OD2 3.27Å; C130-D135 WeakPolarHBondContact CA-OD2 3.45Å; G131-D135 PolarHBondContact N-OD2 3Å; R132-D135 WeakPolarHBondContact CB-OD2 2.93Å; R132-D135 WeakPolarHBondContact CG-OD2 2.97Å; R132-D135 PolarHBondContact N-OD2 3.45Å; R132-D135 PolarHBondContact O-N 3.14Å; R132-D135 VanDerWaalsContact O-N 3.07Å
136L83.9Confident83.1Confident49 Ų4965.9 Ų65.926%0.25738%0.378SS..PPolyproline II helixtrans-81155.3174.3-70.1172.5000110.9V112 K115 V121 P124V112-L136 HydrophobicContact CG2-CB 4.32Å; V112-L136 HydrophobicContact CG2-CD1 4.38Å; K115-L136 HydrophobicContact CG-CD2 4.36Å; V121-L136 HydrophobicContact CG2-CD1 3.74Å; V121-L136 HydrophobicContact CG2-CD2 4.34Å; P124-L136 HydrophobicContact CG-CB 3.62Å
137P84.4Confident82.3Confident78 Ų7867.3 Ų67.351%0.50639%0.387SS..PPolyproline II helixtrans-65.3145.717328.3-34.6000111.1V112 P124V112-P137 HydrophobicContact CB-CG 4.03Å; V112-P137 HydrophobicContact CG1-CG 4.14Å; V112-P137 HydrophobicContact CG2-CG 4.37Å; P124-P137 VanDerWaalsContact CD-O 3.24Å; P124-P137 WeakPolarHBondContact CD-O 3.46Å; P124-P137 WeakPolarHBondContact CG-O 3.45Å
138C86.8Confident80.9Confident25 Ų2569.2 Ų69.217%0.16939%0.392CS..PPolyproline II helixtrans-65.6146.4178.5-54.80000112.2L142 C163C138-L142 HydrophobicContact CB-CB 3.68Å; C138-L142 HydrophobicContact CB-CD1 4.48Å; C138-C163 HydrophobicContact CB-CB 3.77Å; C138-C163 WeakPolarHBondContact CB-SG 3.1Å; C138-C163 VanDerWaalsContact SG-CA 3.53Å; C138-C163 WeakPolarHBondContact SG-CB 3.48Å; C138-C163 CovalentContact SG-SG 2.04Å; C138-C163 PolarHBondContact SG-SG 2.87Å
139G80.9Confident79.3Confident6 Ų670.9 Ų70.96%0.06242%0.415CS..  trans-70.1176-179.400000116.3P124 G141 L142P124-G139 PolarHBondContact O-N 2.62Å; G139-G141 PolarHBondContact O-N 3.4Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.91Å
140D79.7Confident77.5Confident114 Ų11471.8 Ų71.861%0.6142%0.423SS*.THydrogen-bonded Turntrans-50.4118.1-172.7-73.8-41.1000114.9L142D140-L142 VanDerWaalsContact C-N 3.34Å
141G80.2Confident75.8Confident35 Ų3578.5 Ų78.536%0.36146%0.459SS..THydrogen-bonded Turntrans88.4-6.3179.400000114.8G139 K166 C183G139-G141 PolarHBondContact O-N 3.4Å; G141-K166 WeakPolarHBondContact O-CB 3.36Å; G141-K166 WeakPolarHBondContact O-CG 3.45Å; G141-K166 PolarHBondContact O-N 2.9Å; G141-C183 PolarHBondContact O-SG 2.73Å
142L87.3Confident74.4Confident19 Ų1979.3 Ų79.310%0.09946%0.46CS..EExtended strand (participates in β ladder)trans-88.1162.7171.6-56.9171.3000111.1P124 E126 C138 G139 D140 C163 R164 C165 K166 C183P124-L142 WeakPolarHBondContact O-CD1 3.37Å; E126-L142 HydrophobicContact CB-CD2 3.9Å; C138-L142 HydrophobicContact CB-CB 3.68Å; C138-L142 HydrophobicContact CB-CD1 4.48Å; G139-L142 VanDerWaalsContact O-CB 3.27Å; G139-L142 WeakPolarHBondContact O-CB 3.28Å; G139-L142 PolarHBondContact O-N 2.91Å; D140-L142 VanDerWaalsContact C-N 3.34Å; L142-C163 HydrophobicContact CB-CB 4.46Å; L142-C163 HydrophobicContact CD1-CB 4.25Å; L142-R164 CarbonylContact C-O 3.55Å; L142-R164 VanDerWaalsContact CA-O 3.28Å; L142-R164 WeakPolarHBondContact CA-O 3.46Å; L142-C165 HydrophobicContact CD2-CB 4.46Å; L142-K166 WeakPolarHBondContact O-CE 3.47Å; L142-C183 HydrophobicContact CD2-CB 3.93Å
143E88.6Confident72.8Confident67 Ų6777.9 Ų77.931%0.31348%0.478SS..EExtended strand (participates in β ladder)trans-142.5149.9169.959.9-171.2170.700110.6K145 C163 R164 K166E143-K145 HydrophobicContact CG-CG 4.35Å; E143-K145 PolarHBondContact O-N 3.46Å; E143-K145 WeakPolarHBondContact OE1-CE 3.48Å; E143-K145 IonicContact OE1-NZ 4Å; E143-K145 PolarHBondContact OE1-NZ 3.45Å; E143-C163 WeakPolarHBondContact O-CA 3.23Å; E143-R164 PolarHBondContact N-O 3.04Å; E143-R164 PolarHBondContact O-N 2.79Å; E143-K166 HydrophobicContact CB-CG 3.88Å; E143-K166 HydrophobicContact CG-CG 3.77Å
144C88.6Confident71.6Confident58 Ų5877.7 Ų77.739%0.39248%0.477SS..EExtended strand (participates in β ladder)trans-82.8108.7-179.8-172.90000110.3C130C130-C144 HydrophobicContact CB-CB 3.9Å; C130-C144 WeakPolarHBondContact CB-SG 3.04Å; C130-C144 WeakPolarHBondContact SG-CA 3.29Å; C130-C144 WeakPolarHBondContact SG-CB 3.17Å; C130-C144 CovalentContact SG-SG 2.03Å; C130-C144 PolarHBondContact SG-SG 2.88Å
145K87.4Confident70.1Confident78 Ų7884.3 Ų84.334%0.33949%0.494SS..EExtended strand (participates in β ladder)trans-101.9117.9175.9-76.3177.8175.9151.30110E143 G161 V162 R164E143-K145 HydrophobicContact CG-CG 4.35Å; E143-K145 PolarHBondContact O-N 3.46Å; E143-K145 WeakPolarHBondContact OE1-CE 3.48Å; E143-K145 IonicContact OE1-NZ 4Å; E143-K145 PolarHBondContact OE1-NZ 3.45Å; K145-G161 VanDerWaalsContact O-CA 3.31Å; K145-G161 WeakPolarHBondContact O-CA 3.01Å; K145-V162 PolarHBondContact N-O 3.23Å; K145-V162 PolarHBondContact O-N 2.93Å; K145-R164 HydrophobicContact CD-CB 4.25Å
146T82.1Confident68.5Low83 Ų8395 Ų9551%0.50953%0.531SS..EExtended strand (participates in β ladder)trans-63.6131.8171.549.70000110.5S148T146-S148 PolarHBondContact O-N 2.96Å
147L66.5Low66.7Low87 Ų8795.6 Ų95.646%0.45555%0.549SS..  trans-69.4113.6169.9-65.5169.8000109.2R160 V162L147-R160 PolarHBondContact N-O 2.03Å; L147-V162 HydrophobicContact CD2-CG2 4.26Å; L147-V162 HydrophobicContact CG-CG2 4.49Å
148S52.9Low65.2Low89 Ų8995.6 Ų95.662%0.62255%0.551SS**  trans-61.4158.2172.6-64.10000111.3T146 S150T146-S148 PolarHBondContact O-N 2.96Å; S148-S150 PolarHBondContact O-N 3.47Å
149A52.7Low63.7Low101 Ų10198.2 Ų98.284%0.83557%0.57SS**THydrogen-bonded Turntrans-7422.1-166.100000116.2
150S48Very low63.2Low92 Ų92105.7 Ų105.764%0.64360%0.596SS**THydrogen-bonded Turntrans-76.9-47.1176.440.90000112.8S148S148-S150 PolarHBondContact O-N 3.47Å
151D50.9Low63.3Low145 Ų145100.4 Ų100.478%0.77557%0.568SS**SBendtrans-1040.1-164.8-54.2-75.3000113.7
152A47.3Very low63.7Low72 Ų72100.2 Ų100.260%0.59556%0.56SS**SBendtrans-108.199.2-17800000111.5K154A152-K154 PolarHBondContact O-N 3.24Å
153G48.2Very low63.8Low73 Ų7399.3 Ų99.375%0.75356%0.555SS**  trans-52129.7173.200000112.2R155G153-R155 PolarHBondContact O-N 2.73Å
154K48.4Very low63.8Low215 Ų215101.1 Ų101.194%0.93556%0.559SS**SBendtrans-41.799-166.8-72.2178.4176.6174.20114.9A152A152-K154 PolarHBondContact O-N 3.24Å
155R46.1Very low63.8Low244 Ų24498.4 Ų98.492%0.92154%0.541SS*.  trans-136.6120.4155.1-69.7-168.4175.4-177.1-1109.7G153 G157G153-R155 PolarHBondContact O-N 2.73Å; R155-G157 PolarHBondContact O-N 3.07Å
156R47.4Very low63.9Low264 Ų264100.9 Ų100.9100%0.99655%0.552SS**  trans-66.6125.2177-77.5175163.2166.1-7.5109.7
157G47.3Very low64Low62 Ų62101.8 Ų101.864%0.63955%0.55SS**SBendtrans151.6100.5168.200000115R155R155-G157 PolarHBondContact O-N 3.07Å
158S52.7Low64.8Low78 Ų78102.4 Ų102.455%0.54555%0.554SS.*  trans61.6124.8174.5-171.80000116R160S158-R160 PolarHBondContact O-N 2.04Å
159S54.8Low66.2Low81 Ų81101.3 Ų101.357%0.56654%0.539SS*.  trans-59.9106.2170.129.70000110.3G161S159-G161 PolarHBondContact O-N 3.32Å
160R69.6Low67.9Low163 Ų163101 Ų10162%0.61552%0.52SS*.  trans-76.4106.4177.3-64.4-177.1176.4-165.8-2109.1L147 S158L147-R160 PolarHBondContact N-O 2.03Å; S158-R160 PolarHBondContact O-N 2.04Å
161G82.6Confident69.9Low2 Ų296.6 Ų96.62%0.02149%0.489CS..EExtended strand (participates in β ladder)trans-83.9155.9167.500000112C130 K145 S159C130-G161 PolarHBondContact N-O 2.89Å; C130-G161 CarbonylContact O-C 3.6Å; C130-G161 WeakPolarHBondContact O-CA 3.35Å; C130-G161 PolarHBondContact O-N 3.32Å; K145-G161 VanDerWaalsContact O-CA 3.31Å; K145-G161 WeakPolarHBondContact O-CA 3.01Å; S159-G161 PolarHBondContact O-N 3.32Å
162V89.3Confident71.8Confident31 Ų3190 Ų9019%0.18846%0.455CS..EExtended strand (participates in β ladder)trans-129.1141.4163.6-70.50000109.5D128 C130 K145 L147 R164D128-V162 WeakPolarHBondContact O-CA 3.42Å; C130-V162 PolarHBondContact SG-N 2.83Å; C130-V162 VanDerWaalsContact SG-N 3.43Å; K145-V162 PolarHBondContact N-O 3.23Å; K145-V162 PolarHBondContact O-N 2.93Å; L147-V162 HydrophobicContact CD2-CG2 4.26Å; L147-V162 HydrophobicContact CG-CG2 4.49Å; V162-R164 HydrophobicContact CG2-CG 4.28Å; V162-R164 PolarHBondContact O-N 2.81Å
163C88.4Confident73.7Confident0 Ų086.7 Ų86.70%043%0.427CS..EExtended strand (participates in β ladder)trans-68125.1174.6-64.90000109.7R125 E126 G127 D128 C138 L142 E143R125-C163 VanDerWaalsContact O-CB 3.29Å; R125-C163 WeakPolarHBondContact O-CB 3.49Å; E126-C163 CarbonylContact C-O 3.47Å; E126-C163 WeakPolarHBondContact CA-O 3.31Å; G127-C163 PolarHBondContact N-O 3.39Å; D128-C163 PolarHBondContact O-N 2.76Å; C138-C163 HydrophobicContact CB-CB 3.77Å; C138-C163 WeakPolarHBondContact CB-SG 3.1Å; C138-C163 VanDerWaalsContact SG-CA 3.53Å; C138-C163 WeakPolarHBondContact SG-CB 3.48Å; C138-C163 CovalentContact SG-SG 2.04Å; C138-C163 PolarHBondContact SG-SG 2.87Å; L142-C163 HydrophobicContact CB-CB 4.46Å; L142-C163 HydrophobicContact CD1-CB 4.25Å; E143-C163 WeakPolarHBondContact O-CA 3.23Å
164R89.4Confident75.5Confident106 Ų10687.1 Ų87.140%0.442%0.416SS..EExtended strand (participates in β ladder)trans-130.1155.5175.5-66-170.1-177.4-172.22.1110.5L142 E143 K145 V162L142-R164 CarbonylContact C-O 3.55Å; L142-R164 VanDerWaalsContact CA-O 3.28Å; L142-R164 WeakPolarHBondContact CA-O 3.46Å; E143-R164 PolarHBondContact N-O 3.04Å; E143-R164 PolarHBondContact O-N 2.79Å; K145-R164 HydrophobicContact CD-CB 4.25Å; V162-R164 HydrophobicContact CG2-CG 4.28Å; V162-R164 PolarHBondContact O-N 2.81Å
165C88.8Confident77.1Confident1 Ų179.6 Ų79.61%0.00739%0.385CS..EExtended strand (participates in β ladder)trans-62.6138.8175.7-158.40000112.1E126 L142 Q167 N181 C183E126-C165 WeakPolarHBondContact OE1-CB 3.48Å; E126-C165 PolarHBondContact OE1-N 2.81Å; L142-C165 HydrophobicContact CD2-CB 4.46Å; C165-Q167 PolarHBondContact O-N 3.18Å; C165-N181 HydrophobicContact CB-CB 4.05Å; C165-C183 WeakPolarHBondContact CA-SG 3.06Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.46Å; C165-C183 WeakPolarHBondContact SG-CB 3.48Å; C165-C183 PolarHBondContact SG-N 3.28Å; C165-C183 CovalentContact SG-SG 2.04Å; C165-C183 PolarHBondContact SG-SG 3.25Å
166K88.7Confident78.9Confident129 Ų12970.6 Ų70.656%0.56137%0.368SS*.SBendtrans-64.5-22.4169.5-72.5-179.1172.7-176.20112.7G141 L142 E143G141-K166 WeakPolarHBondContact O-CB 3.36Å; G141-K166 WeakPolarHBondContact O-CG 3.45Å; G141-K166 PolarHBondContact O-N 2.9Å; L142-K166 WeakPolarHBondContact O-CE 3.47Å; E143-K166 HydrophobicContact CB-CG 3.88Å; E143-K166 HydrophobicContact CG-CG 3.77Å
167Q84.3Confident80.8Confident103 Ų10363.8 Ų63.848%0.48135%0.346SS..SBendtrans-125.370.1-176.2-70.6-178.3-600109.4C165 H169 N181 V182C165-Q167 PolarHBondContact O-N 3.18Å; Q167-H169 VanDerWaalsContact C-N 3.26Å; Q167-H169 PolarHBondContact O-N 3.41Å; Q167-N181 WeakPolarHBondContact O-CB 3.37Å; Q167-V182 HydrophobicContact CB-CB 4.33Å; Q167-V182 HydrophobicContact CB-CG2 4.15Å
168D82Confident82.8Confident99 Ų9963.6 Ų63.653%0.52933%0.333SS..  trans-83.467.4-176-148.326.3000111.1N181D168-N181 PolarHBondContact OD1-ND2 3.45Å
169H84.1Confident84.5Confident67 Ų6761 Ų6131%0.3131%0.311SS..SBendtrans-140.6146.7173.464.8-81.2000109.4Q167 G180 N181Q167-H169 VanDerWaalsContact C-N 3.26Å; Q167-H169 PolarHBondContact O-N 3.41Å; H169-G180 CarbonylContact C-O 3.47Å; H169-N181 WeakPolarHBondContact O-CA 3.28Å
170E88.1Confident86.1Confident93 Ų9358.8 Ų58.844%0.43530%0.301SS..  trans-60145.5179.5-57.5-160.7111.700112.1T178 Y179 G206E170-T178 HydrophobicContact CB-CG2 4.32Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.35Å; E170-Y179 WeakPolarHBondContact CA-O 3.42Å; E170-G206 VanDerWaalsContact O-CA 3.28Å; E170-G206 WeakPolarHBondContact O-CA 3.33Å; E170-G206 PolarHBondContact O-N 3Å
171V90.4Very high87Confident0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-141.2144178.3-62.30000111.3Y179 V182 L185 Q202 G206V171-Y179 PolarHBondContact N-O 3.07Å; V171-Y179 PolarHBondContact O-N 2.89Å; V171-V182 HydrophobicContact CG1-CG2 3.65Å; V171-V182 HydrophobicContact CG2-CG2 4.25Å; V171-L185 HydrophobicContact CG2-CB 4.17Å; V171-L185 HydrophobicContact CG2-CD1 3.73Å; V171-Q202 HydrophobicContact CB-CG 4.2Å; V171-G206 CarbonylContact C-O 3.48Å; V171-G206 VanDerWaalsContact CA-O 3.26Å; V171-G206 WeakPolarHBondContact CA-O 3.47Å
172C89.6Confident87.4Confident8 Ų851.2 Ų51.25%0.05427%0.273CS..EExtended strand (participates in β ladder)trans-89.6128.7177-177.20000110.3A203 H204 G206 C208C172-A203 PolarHBondContact O-N 3.21Å; C172-H204 VanDerWaalsContact CB-CE1 3.46Å; C172-H204 WeakPolarHBondContact CB-CE1 3.35Å; C172-H204 VanDerWaalsContact CB-NE2 3.33Å; C172-H204 WeakPolarHBondContact CB-NE2 3.01Å; C172-H204 PolarHBondContact N-O 2.86Å; C172-H204 VanDerWaalsContact N-O 3.09Å; C172-H204 PolarHBondContact SG-NE2 2.77Å; C172-G206 PolarHBondContact N-O 3.16Å; C172-C208 WeakPolarHBondContact CA-SG 3.42Å; C172-C208 HydrophobicContact CB-CB 4Å; C172-C208 WeakPolarHBondContact CB-SG 3.42Å; C172-C208 WeakPolarHBondContact SG-CA 3.44Å; C172-C208 WeakPolarHBondContact SG-CB 3.05Å; C172-C208 CovalentContact SG-SG 2.03Å; C172-C208 PolarHBondContact SG-SG 3.2Å
173G88Confident87.3Confident2 Ų250.4 Ų50.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-83.1155.2172.500000112.9D175 G176 K177 S201G173-D175 PolarHBondContact O-N 2.8Å; G173-D175 VanDerWaalsContact O-N 3.15Å; G173-G176 PolarHBondContact O-N 2.84Å; G173-K177 PolarHBondContact N-O 2.04Å; G173-S201 WeakPolarHBondContact CA-O 3.3Å
174T84.8Confident87.3Confident82 Ų8254.9 Ų54.950%0.50329%0.287SS..THydrogen-bonded Turntrans-65-7.1169.836.60000114.2G176 S201 A203T174-G176 VanDerWaalsContact C-N 3.31Å; T174-S201 WeakPolarHBondContact CG2-OG 3.42Å; T174-S201 PolarHBondContact N-O 2.88Å; T174-S201 PolarHBondContact OG1-N 2.94Å; T174-S201 PolarHBondContact OG1-O 2.79Å; T174-S201 VanDerWaalsContact OG1-O 3.08Å; T174-S201 PolarHBondContact OG1-OG 2.8Å; T174-A203 HydrophobicContact CG2-CB 4.03Å
175D83.8Confident87.3Confident56 Ų5650.1 Ų50.130%0.29927%0.27SS..THydrogen-bonded Turntrans-89.39.6167.778-37.5000113.7G173 K177 Y179 V200G173-D175 PolarHBondContact O-N 2.8Å; G173-D175 VanDerWaalsContact O-N 3.15Å; D175-K177 VanDerWaalsContact C-N 3.32Å; D175-K177 PolarHBondContact O-N 2.84Å; D175-K177 PolarHBondContact OD1-N 3.45Å; D175-K177 WeakPolarHBondContact OD2-CD 3.4Å; D175-K177 WeakPolarHBondContact OD2-CG 3.35Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 3.15Å; D175-Y179 WeakPolarHBondContact OD1-CE2 3.32Å; D175-Y179 PolarHBondContact OD1-OH 2.81Å; D175-Y179 PolarHBondContact OD2-OH 2.85Å; D175-V200 HydrophobicContact CB-CG1 4.35Å; D175-V200 HydrophobicContact CB-CG2 4.05Å
176G82.6Confident87.3Confident55 Ų5555 Ų5557%0.56729%0.291SS*.SBendtrans75.413.2178.500000114.7G173 T174 C208G173-G176 PolarHBondContact O-N 2.84Å; T174-G176 VanDerWaalsContact C-N 3.31Å; G176-C208 PolarHBondContact O-SG 2.88Å
177K87.1Confident87.2Confident121 Ų12150.6 Ų50.653%0.52628%0.278SS..  trans-107.1137.8-178.2-59.6-166.1-16797.90113.4G173 D175 Y179 C208G173-K177 PolarHBondContact N-O 2.04Å; D175-K177 VanDerWaalsContact C-N 3.32Å; D175-K177 PolarHBondContact O-N 2.84Å; D175-K177 PolarHBondContact OD1-N 3.45Å; D175-K177 WeakPolarHBondContact OD2-CD 3.4Å; D175-K177 WeakPolarHBondContact OD2-CG 3.35Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 3.15Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 WeakPolarHBondContact O-CD2 3.47Å; K177-Y179 WeakPolarHBondContact O-CE2 3.13Å; K177-C208 PolarHBondContact N-SG 2.87Å; K177-C208 VanDerWaalsContact N-SG 3.42Å; K177-C208 PolarHBondContact O-SG 2.79Å
178T89.1Confident87.4Confident58 Ų5848.8 Ų48.836%0.35627%0.274SS..EExtended strand (participates in β ladder)trans-69.8128.2167.6-61.20000110.1E170 P207 C208E170-T178 HydrophobicContact CB-CG2 4.32Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.35Å; T178-P207 HydrophobicContact CG2-CB 3.7Å; T178-P207 WeakPolarHBondContact OG1-CA 3.26Å; T178-P207 WeakPolarHBondContact OG1-CB 3.31Å; T178-C208 PolarHBondContact OG1-N 2.99Å
179Y89.5Confident87.8Confident24 Ų2444.8 Ų44.89%0.09425%0.254CS..EExtended strand (participates in β ladder)trans-114.1126.8169-65.1-88.4000108.8E170 V171 D175 K177 N181 K184 L185 V188 V200E170-Y179 WeakPolarHBondContact CA-O 3.42Å; V171-Y179 PolarHBondContact N-O 3.07Å; V171-Y179 PolarHBondContact O-N 2.89Å; D175-Y179 WeakPolarHBondContact OD1-CE2 3.32Å; D175-Y179 PolarHBondContact OD1-OH 2.81Å; D175-Y179 PolarHBondContact OD2-OH 2.85Å; K177-Y179 HydrophobicContact CB-CE2 3.98Å; K177-Y179 WeakPolarHBondContact O-CD2 3.47Å; K177-Y179 WeakPolarHBondContact O-CE2 3.13Å; Y179-N181 PolarHBondContact O-N 2.75Å; Y179-K184 HydrophobicContact CD1-CB 4.48Å; Y179-L185 HydrophobicContact CD1-CB 4.19Å; Y179-L185 HydrophobicContact CD2-CB 3.9Å; Y179-L185 HydrophobicContact CD2-CD1 3.79Å; Y179-L185 HydrophobicContact CD2-CG 3.81Å; Y179-L185 HydrophobicContact CE2-CD1 4.31Å; Y179-L185 HydrophobicContact CE2-CG 4.11Å; Y179-L185 HydrophobicContact CG-CB 3.71Å; Y179-L185 HydrophobicContact CG-CD1 4.41Å; Y179-L185 HydrophobicContact CG-CG 4.17Å; Y179-V188 HydrophobicContact CE1-CB 3.85Å; Y179-V188 HydrophobicContact CE1-CG1 4.08Å; Y179-V188 HydrophobicContact CE1-CG2 3.89Å; Y179-V200 HydrophobicContact CE2-CG1 4.27Å
180G87.4Confident87.9Confident34 Ų3445.1 Ų45.135%0.35125%0.253SS..SBendtrans-59.9-18.1-176.500000115.3H169H169-G180 CarbonylContact C-O 3.47Å
181N89.9Confident87.7Confident0 Ų048.1 Ų48.10%026%0.26CS..SBendtrans-157.8166.5164.961.444000113E126 C165 Q167 D168 H169 Y179 C183 K184 L185E126-N181 VanDerWaalsContact CD-ND2 3.28Å; E126-N181 PolarHBondContact OE1-ND2 3.47Å; E126-N181 PolarHBondContact OE2-ND2 2.92Å; C165-N181 HydrophobicContact CB-CB 4.05Å; Q167-N181 WeakPolarHBondContact O-CB 3.37Å; D168-N181 PolarHBondContact OD1-ND2 3.45Å; H169-N181 WeakPolarHBondContact O-CA 3.28Å; Y179-N181 PolarHBondContact O-N 2.75Å; N181-C183 PolarHBondContact O-N 3.49Å; N181-C183 WeakPolarHBondContact OD1-CB 3.43Å; N181-C183 PolarHBondContact OD1-N 2.9Å; N181-K184 PolarHBondContact ND2-NZ 3.44Å; N181-K184 VanDerWaalsContact ND2-NZ 3.11Å; N181-K184 PolarHBondContact O-N 3.11Å; N181-K184 WeakPolarHBondContact OD1-CG 3.44Å; N181-K184 PolarHBondContact OD1-N 3.39Å; N181-L185 PolarHBondContact O-N 3.03Å
182V89.4Confident87.5Confident7 Ų749 Ų494%0.04227%0.267CS..Hα-helixtrans-57.4-32.4179.6174.50000112.5Q167 V171 L185 K186Q167-V182 HydrophobicContact CB-CB 4.33Å; Q167-V182 HydrophobicContact CB-CG2 4.15Å; V171-V182 HydrophobicContact CG1-CG2 3.65Å; V171-V182 HydrophobicContact CG2-CG2 4.25Å; V182-L185 PolarHBondContact O-N 3.04Å; V182-K186 HydrophobicContact CG1-CD 4.09Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.3Å
183C88.3Confident87.3Confident13 Ų1352.5 Ų52.59%0.08829%0.288CS..Hα-helixtrans-69.8-41-179.3-58.10000111.7G141 L142 C165 N181 K186 A187G141-C183 PolarHBondContact O-SG 2.73Å; L142-C183 HydrophobicContact CD2-CB 3.93Å; C165-C183 WeakPolarHBondContact CA-SG 3.06Å; C165-C183 HydrophobicContact CB-CB 3.72Å; C165-C183 WeakPolarHBondContact CB-SG 3.46Å; C165-C183 WeakPolarHBondContact SG-CB 3.48Å; C165-C183 PolarHBondContact SG-N 3.28Å; C165-C183 CovalentContact SG-SG 2.04Å; C165-C183 PolarHBondContact SG-SG 3.25Å; N181-C183 PolarHBondContact O-N 3.49Å; N181-C183 WeakPolarHBondContact OD1-CB 3.43Å; N181-C183 PolarHBondContact OD1-N 2.9Å; C183-K186 PolarHBondContact O-N 2.69Å; C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 3.5Å
184K88.3Confident87Confident94 Ų9456.5 Ų56.541%0.40931%0.306SS..Hα-helixtrans-61.7-44.1172.7-70.8172.9176.394.90112E126 Y179 N181 A187 V188E126-K184 VanDerWaalsContact OE2-CE 3.3Å; E126-K184 WeakPolarHBondContact OE2-CE 3.35Å; E126-K184 IonicContact OE2-NZ 2.76Å; E126-K184 PolarHBondContact OE2-NZ 2.98Å; Y179-K184 HydrophobicContact CD1-CB 4.48Å; N181-K184 PolarHBondContact ND2-NZ 3.44Å; N181-K184 VanDerWaalsContact ND2-NZ 3.11Å; N181-K184 PolarHBondContact O-N 3.11Å; N181-K184 WeakPolarHBondContact OD1-CG 3.44Å; N181-K184 PolarHBondContact OD1-N 3.39Å; K184-A187 PolarHBondContact O-N 2.85Å; K184-V188 PolarHBondContact O-N 3.25Å; K184-V188 VanDerWaalsContact O-N 3.09Å
185L90.1Very high87.1Confident6 Ų659.2 Ų59.23%0.03131%0.311CS..Hα-helixtrans-58.4-51.5175.2-173.7158.2000111V171 Y179 N181 V182 A187 V188 S189 V200 Q202V171-L185 HydrophobicContact CG2-CB 4.17Å; V171-L185 HydrophobicContact CG2-CD1 3.73Å; Y179-L185 HydrophobicContact CD1-CB 4.19Å; Y179-L185 HydrophobicContact CD2-CB 3.9Å; Y179-L185 HydrophobicContact CD2-CD1 3.79Å; Y179-L185 HydrophobicContact CD2-CG 3.81Å; Y179-L185 HydrophobicContact CE2-CD1 4.31Å; Y179-L185 HydrophobicContact CE2-CG 4.11Å; Y179-L185 HydrophobicContact CG-CB 3.71Å; Y179-L185 HydrophobicContact CG-CD1 4.41Å; Y179-L185 HydrophobicContact CG-CG 4.17Å; N181-L185 PolarHBondContact O-N 3.03Å; V182-L185 PolarHBondContact O-N 3.04Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.76Å; L185-V188 PolarHBondContact O-N 3.02Å; L185-S189 WeakPolarHBondContact O-CB 3.33Å; L185-S189 PolarHBondContact O-N 3.17Å; L185-V200 HydrophobicContact CD2-CG1 4.41Å; L185-V200 WeakPolarHBondContact CD2-O 3.27Å; L185-V200 HydrophobicContact CG-CG1 4.35Å; L185-Q202 HydrophobicContact CD1-CB 4.1Å
186K88.7Confident87.2Confident104 Ų10460.2 Ų60.245%0.45234%0.335SS..Hα-helixtrans-61-37.9179.2-73.7178.6178.2-1790112.9V182 C183 S189 R190V182-K186 HydrophobicContact CG1-CD 4.09Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CG 3.25Å; V182-K186 PolarHBondContact O-N 3.3Å; C183-K186 PolarHBondContact O-N 2.69Å; K186-S189 PolarHBondContact O-N 3.31Å; K186-R190 WeakPolarHBondContact O-CG 3.28Å; K186-R190 PolarHBondContact O-N 3.1Å
187A85.8Confident87.4Confident36 Ų3666.3 Ų66.330%0.29834%0.34SS..Hα-helixtrans-66-39.8176.500000112.8C183 K184 L185 R191C183-A187 WeakPolarHBondContact O-CB 3.41Å; C183-A187 PolarHBondContact O-N 3.5Å; K184-A187 PolarHBondContact O-N 2.85Å; L185-A187 VanDerWaalsContact C-N 3.33Å; L185-A187 PolarHBondContact O-N 2.76Å; A187-R191 WeakPolarHBondContact O-CB 3.25Å; A187-R191 PolarHBondContact O-N 2.95Å
188V88.3Confident87.2Confident65 Ų6564.7 Ų64.739%0.39435%0.35SS..Hα-helixtrans-70.8-39.5175.1172.60000111.3Y179 K184 L185 R191 A192Y179-V188 HydrophobicContact CE1-CB 3.85Å; Y179-V188 HydrophobicContact CE1-CG1 4.08Å; Y179-V188 HydrophobicContact CE1-CG2 3.89Å; K184-V188 PolarHBondContact O-N 3.25Å; K184-V188 VanDerWaalsContact O-N 3.09Å; L185-V188 PolarHBondContact O-N 3.02Å; V188-R191 CarbonylContact O-C 3.48Å; V188-R191 PolarHBondContact O-N 2.86Å; V188-A192 PolarHBondContact O-N 3.3Å
189S90Very high87.1Confident16 Ų1664.8 Ų64.811%0.11236%0.357CS..Hα-helixtrans-57.5-50.4174.2-171.10000112.6L185 K186 R191 A192 V193 V200L185-S189 WeakPolarHBondContact O-CB 3.33Å; L185-S189 PolarHBondContact O-N 3.17Å; K186-S189 PolarHBondContact O-N 3.31Å; S189-R191 VanDerWaalsContact C-N 3.3Å; S189-R191 PolarHBondContact O-N 2.8Å; S189-A192 WeakPolarHBondContact O-CB 3.45Å; S189-A192 PolarHBondContact O-N 3.28Å; S189-V193 PolarHBondContact O-N 2.92Å; S189-V193 VanDerWaalsContact O-N 3.09Å; S189-V200 WeakPolarHBondContact CB-O 3.08Å; S189-V200 PolarHBondContact OG-N 2.92Å; S189-V200 PolarHBondContact OG-O 2.96Å
190R86.4Confident87Confident73 Ų7364.4 Ų64.428%0.27536%0.357SS..Hα-helixtrans-58.2-40.8174.2-73.7-171.5-73.7-108.97.6112.2P108 G109 K186 A192 V193 Q194P108-R190 PolarHBondContact O-NE 2.92Å; G109-R190 PolarHBondContact O-NH2 2.98Å; K186-R190 WeakPolarHBondContact O-CG 3.28Å; K186-R190 PolarHBondContact O-N 3.1Å; R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.38Å; R190-V193 PolarHBondContact O-N 3.13Å; R190-Q194 WeakPolarHBondContact O-CB 3.27Å; R190-Q194 WeakPolarHBondContact O-CG 3.32Å; R190-Q194 PolarHBondContact O-N 3.38Å
191R85.3Confident87.1Confident157 Ų15766 Ų6659%0.59236%0.362SS*.Hα-helixtrans-70.2-22.7177.2-161.5-179.3-171.3-162.93.3113.5P108 A187 V188 S189 K195P108-R191 HydrophobicContact CB-CB 4.37Å; A187-R191 WeakPolarHBondContact O-CB 3.25Å; A187-R191 PolarHBondContact O-N 2.95Å; V188-R191 CarbonylContact O-C 3.48Å; V188-R191 PolarHBondContact O-N 2.86Å; S189-R191 VanDerWaalsContact C-N 3.3Å; S189-R191 PolarHBondContact O-N 2.8Å; R191-K195 WeakPolarHBondContact O-CG 3.39Å
192A85.1Confident87Confident17 Ų1769.4 Ų69.414%0.1438%0.378CS..Hα-helixtrans-74.8-48.917200000110.9V188 S189 R190 Q194 K195 G196 R197 A198V188-A192 PolarHBondContact O-N 3.3Å; S189-A192 WeakPolarHBondContact O-CB 3.45Å; S189-A192 PolarHBondContact O-N 3.28Å; R190-A192 VanDerWaalsContact C-N 3.3Å; R190-A192 PolarHBondContact O-N 3.38Å; A192-Q194 PolarHBondContact O-N 3.28Å; A192-K195 CarbonylContact O-C 3.58Å; A192-K195 WeakPolarHBondContact O-CA 3.44Å; A192-K195 PolarHBondContact O-N 2.88Å; A192-G196 PolarHBondContact O-N 2.92Å; A192-R197 CarbonylContact C-O 3.6Å; A192-R197 HydrophobicContact CB-CB 4.16Å; A192-R197 WeakPolarHBondContact O-CB 3.01Å; A192-R197 PolarHBondContact O-N 3Å; A192-A198 WeakPolarHBondContact CB-O 3.48Å
193V85.7Confident86.7Confident82 Ų8271.7 Ų71.750%0.49740%0.398SS..Hα-helixtrans-59.1-44.8177.2177.30000111.5S189 R190 K195 G196 R197 A199S189-V193 PolarHBondContact O-N 2.92Å; S189-V193 VanDerWaalsContact O-N 3.09Å; R190-V193 PolarHBondContact O-N 3.13Å; V193-K195 PolarHBondContact O-N 2.95Å; V193-G196 PolarHBondContact O-N 2.8Å; V193-R197 WeakPolarHBondContact CA-O 3.43Å; V193-R197 PolarHBondContact N-O 2.86Å; V193-A199 HydrophobicContact CG2-CB 3.63Å
194Q81.6Confident86.5Confident86 Ų8675.3 Ų75.340%0.40241%0.413SS..THydrogen-bonded Turntrans-61.8-11173.9-74178.1-2600114.6S106 P108 R190 A192S106-Q194 PolarHBondContact OG-NE2 2.93Å; P108-Q194 VanDerWaalsContact CG-OE1 3.28Å; R190-Q194 WeakPolarHBondContact O-CB 3.27Å; R190-Q194 WeakPolarHBondContact O-CG 3.32Å; R190-Q194 PolarHBondContact O-N 3.38Å; A192-Q194 PolarHBondContact O-N 3.28Å
195K86.4Confident86.2Confident140 Ų14078.3 Ų78.361%0.60943%0.426SS*.THydrogen-bonded Turntrans-110.817.7174.7-70.9-171.1168.8-157.10112.8R191 A192 V193 R197R191-K195 WeakPolarHBondContact O-CG 3.39Å; A192-K195 CarbonylContact O-C 3.58Å; A192-K195 WeakPolarHBondContact O-CA 3.44Å; A192-K195 PolarHBondContact O-N 2.88Å; V193-K195 PolarHBondContact O-N 2.95Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.1Å
196G85.6Confident85.9Confident77 Ų7779.2 Ų79.279%0.79444%0.437SS*.THydrogen-bonded Turntrans67.822.4-179.400000114.2A192 V193A192-G196 PolarHBondContact O-N 2.92Å; V193-G196 PolarHBondContact O-N 2.8Å
197R87.1Confident85.7Confident182 Ų18277.2 Ų77.269%0.68744%0.435SS*.  trans-107.5156.4178.9-61.5179.7-179.9-176.4-3.9110.7A192 V193 K195A192-R197 CarbonylContact C-O 3.6Å; A192-R197 HydrophobicContact CB-CB 4.16Å; A192-R197 WeakPolarHBondContact O-CB 3.01Å; A192-R197 PolarHBondContact O-N 3Å; V193-R197 WeakPolarHBondContact CA-O 3.43Å; V193-R197 PolarHBondContact N-O 2.86Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.1Å
198A83.9Confident85.3Confident88 Ų8876.3 Ų76.373%0.72743%0.426SS*.PPolyproline II helixtrans-53.8143.9176.700000112.2A192A192-A198 WeakPolarHBondContact CB-O 3.48Å
199A87.4Confident84.6Confident60 Ų6077.5 Ų77.550%0.49644%0.437SS..PPolyproline II helixtrans-72.2131.1176.400000110.6V193 S201V193-A199 HydrophobicContact CG2-CB 3.63Å; A199-S201 PolarHBondContact O-N 2.7Å
200V86.8Confident83Confident16 Ų1682 Ų8210%0.09746%0.464CS..PPolyproline II helixtrans-80.8118.1171.1-175.40000108.7D175 Y179 L185 S189D175-V200 HydrophobicContact CB-CG1 4.35Å; D175-V200 HydrophobicContact CB-CG2 4.05Å; Y179-V200 HydrophobicContact CE2-CG1 4.27Å; L185-V200 HydrophobicContact CD2-CG1 4.41Å; L185-V200 WeakPolarHBondContact CD2-O 3.27Å; L185-V200 HydrophobicContact CG-CG1 4.35Å; S189-V200 WeakPolarHBondContact CB-O 3.08Å; S189-V200 PolarHBondContact OG-N 2.92Å; S189-V200 PolarHBondContact OG-O 2.96Å
201S89Confident81.4Confident66 Ų6685 Ų8546%0.46249%0.493SS..PPolyproline II helixtrans-96.3165169.356.70000110.5G173 T174 A199 A203G173-S201 WeakPolarHBondContact CA-O 3.3Å; T174-S201 WeakPolarHBondContact CG2-OG 3.42Å; T174-S201 PolarHBondContact N-O 2.88Å; T174-S201 PolarHBondContact OG1-N 2.94Å; T174-S201 PolarHBondContact OG1-O 2.79Å; T174-S201 VanDerWaalsContact OG1-O 3.08Å; T174-S201 PolarHBondContact OG1-OG 2.8Å; A199-S201 PolarHBondContact O-N 2.7Å; S201-A203 PolarHBondContact O-N 2.82Å
202Q88.8Confident79.2Confident73 Ų7384 Ų8434%0.34150%0.5SS..EExtended strand (participates in β ladder)trans-75122.6169.8179.1174.13.900109.3V171 L185 H204V171-Q202 HydrophobicContact CB-CG 4.2Å; L185-Q202 HydrophobicContact CD1-CB 4.1Å; Q202-H204 VanDerWaalsContact CG-O 3.31Å; Q202-H204 WeakPolarHBondContact CG-O 3.4Å; Q202-H204 PolarHBondContact NE2-O 3Å
203A83.3Confident77.5Confident55 Ų5591.8 Ų91.846%0.45554%0.538SS..EExtended strand (participates in β ladder)trans-80-47.8172.600000111C172 T174 S201C172-A203 PolarHBondContact O-N 3.21Å; T174-A203 HydrophobicContact CG2-CB 4.03Å; S201-A203 PolarHBondContact O-N 2.82Å
204H82.8Confident75.6Confident88 Ų8891.4 Ų91.441%0.40755%0.55SS.*EExtended strand (participates in β ladder)trans-155.7177.6174.561.590.2000112.7C172 Q202 P207C172-H204 VanDerWaalsContact CB-CE1 3.46Å; C172-H204 WeakPolarHBondContact CB-CE1 3.35Å; C172-H204 VanDerWaalsContact CB-NE2 3.33Å; C172-H204 WeakPolarHBondContact CB-NE2 3.01Å; C172-H204 PolarHBondContact N-O 2.86Å; C172-H204 VanDerWaalsContact N-O 3.09Å; C172-H204 PolarHBondContact SG-NE2 2.77Å; Q202-H204 VanDerWaalsContact CG-O 3.31Å; Q202-H204 WeakPolarHBondContact CG-O 3.4Å; Q202-H204 PolarHBondContact NE2-O 3Å; H204-P207 PolarHBondContact CE1-O 3.32Å
205K82.1Confident73.7Confident158 Ų15899.4 Ų99.469%0.68758%0.577SS**EExtended strand (participates in β ladder)trans-87153.2169.8-63.6177.9-178.8173.40110
206G83.4Confident71.4Confident24 Ų2495.3 Ų95.325%0.24757%0.566CS.*SBendtrans82.4169.7-169.800000112.7E170 V171 C172E170-G206 VanDerWaalsContact O-CA 3.28Å; E170-G206 WeakPolarHBondContact O-CA 3.33Å; E170-G206 PolarHBondContact O-N 3Å; V171-G206 CarbonylContact C-O 3.48Å; V171-G206 VanDerWaalsContact CA-O 3.26Å; V171-G206 WeakPolarHBondContact CA-O 3.47Å; C172-G206 PolarHBondContact N-O 3.16Å
207P85Confident69.5Low63 Ų6399.7 Ų99.741%0.40957%0.57SS.*PPolyproline II helixtrans-65.1152.5178.828.4-36000112.3T178 H204T178-P207 HydrophobicContact CG2-CB 3.7Å; T178-P207 WeakPolarHBondContact OG1-CA 3.26Å; T178-P207 WeakPolarHBondContact OG1-CB 3.31Å; H204-P207 PolarHBondContact CE1-O 3.32Å
208C78.3Confident67.7Low16 Ų1695.8 Ų95.811%0.10857%0.567CS.*PPolyproline II helixtrans-66.2134.1163.4-57.40000108.8C172 G176 K177 T178 T210C172-C208 WeakPolarHBondContact CA-SG 3.42Å; C172-C208 HydrophobicContact CB-CB 4Å; C172-C208 WeakPolarHBondContact CB-SG 3.42Å; C172-C208 WeakPolarHBondContact SG-CA 3.44Å; C172-C208 WeakPolarHBondContact SG-CB 3.05Å; C172-C208 CovalentContact SG-SG 2.03Å; C172-C208 PolarHBondContact SG-SG 3.2Å; G176-C208 PolarHBondContact O-SG 2.88Å; K177-C208 PolarHBondContact N-SG 2.87Å; K177-C208 VanDerWaalsContact N-SG 3.42Å; K177-C208 PolarHBondContact O-SG 2.79Å; T178-C208 PolarHBondContact OG1-N 2.99Å; C208-T210 PolarHBondContact O-N 3.25Å
209S72.4Confident66Low90 Ų9099.9 Ų99.963%0.62956%0.563SS**PPolyproline II helixtrans-64.3128.8178-51.50000111.3
210T56.8Low64.4Low111 Ų111101.9 Ų101.968%0.68157%0.571SS**PPolyproline II helixtrans-65.7147.9164.744.70000110.1C208 D212C208-T210 PolarHBondContact O-N 3.25Å; T210-D212 PolarHBondContact O-N 2.83Å
211P52.1Low63.3Low137 Ų137106 Ų10689%0.8960%0.601SS**SBendtrans-80.456.8-176.735.2-37.5000112.2
212D39.7Very low62.9Low136 Ų136104.4 Ų104.473%0.72759%0.59SS**  trans-120.7158.7175.4-94.8-57.6000112T210 G214T210-D212 PolarHBondContact O-N 2.83Å; D212-G214 PolarHBondContact O-N 3.17Å
213L48.5Very low62.9Low179 Ų179105 Ų10594%0.93760%0.6SS**SBendtrans-58.2129.7-166.5-99.961.1000114.3
214G46.3Very low62.9Low74 Ų74110.5 Ų110.576%0.76361%0.609SS**SBendtrans123.1-10.9133.500000119.5D212D212-G214 PolarHBondContact O-N 3.17Å
215R42.7Very low63Low255 Ų255113 Ų11396%0.96262%0.616SS**  trans-156.275.5175.2-122.2170.6-174.7-178.80.7116.1
216S37.5Very low63.2Low54 Ų54112.3 Ų112.338%0.37861%0.613SS.*  trans-115.7134.8154.8-1780000110.7T218S216-T218 PolarHBondContact OG-N 2.96Å; S216-T218 PolarHBondContact OG-O 3.42Å; S216-T218 PolarHBondContact OG-OG1 2.99Å; S216-T218 VanDerWaalsContact OG-OG1 3.07Å
217L46.7Very low63.6Low168 Ų168116.7 Ų116.788%0.8863%0.625SS**SBendtrans-89.91.2172.8-88.6168000113.6
218T47.4Very low64Low101 Ų101117.1 Ų117.162%0.6262%0.624SS**  trans-97.4108156.147.80000108.9S216 P220S216-T218 PolarHBondContact OG-N 2.96Å; S216-T218 PolarHBondContact OG-O 3.42Å; S216-T218 PolarHBondContact OG-OG1 2.99Å; S216-T218 VanDerWaalsContact OG-OG1 3.07Å; T218-P220 VanDerWaalsContact C-CD 3.49Å; T218-P220 WeakPolarHBondContact O-CD 3.26Å
219R48.3Very low64.9Low173 Ų173119.9 Ų119.965%0.65363%0.634SS**  trans-10286.2169.2-76.5-174.8173.3-178-2.4109.1S221 S222 Y225R219-S221 PolarHBondContact O-N 3.33Å; R219-S221 VanDerWaalsContact O-N 3.12Å; R219-S222 VanDerWaalsContact O-CB 3.28Å; R219-S222 WeakPolarHBondContact O-CB 3.39Å; R219-S222 PolarHBondContact O-N 2.88Å; R219-Y225 VanDerWaalsContact O-CD2 3.31Å; R219-Y225 WeakPolarHBondContact O-CD2 3.37Å
220P54.8Low66Low103 Ų103117.4 Ų117.467%0.66961%0.613SS**THydrogen-bonded Turntrans-63-15.1173.827.1-35.1000113T218T218-P220 VanDerWaalsContact C-CD 3.49Å; T218-P220 WeakPolarHBondContact O-CD 3.26Å
221S63.2Low67.8Low103 Ų103114.4 Ų114.472%0.7260%0.6SS**THydrogen-bonded Turntrans-84.7-8.6170.5540000114.7R219R219-S221 PolarHBondContact O-N 3.33Å; R219-S221 VanDerWaalsContact O-N 3.12Å
222S81.4Confident69.9Low31 Ų31112.8 Ų112.822%0.21758%0.584CS.*SBendtrans-76.51341761750000110.1R219 R224 Y225 K226R219-S222 VanDerWaalsContact O-CB 3.28Å; R219-S222 WeakPolarHBondContact O-CB 3.39Å; R219-S222 PolarHBondContact O-N 2.88Å; S222-R224 PolarHBondContact O-N 2.78Å; S222-Y225 PolarHBondContact O-N 2.63Å; S222-K226 PolarHBondContact O-N 3.22Å
223P87.5Confident72.6Confident86 Ų86106.7 Ų106.756%0.55855%0.551SS**Hα-helixtrans-48.2-37.1176.7-31.336.9000114.1Y225 K226 F227P223-Y225 VanDerWaalsContact C-N 3.29Å; P223-Y225 PolarHBondContact O-N 3.21Å; P223-K226 PolarHBondContact O-N 3.41Å; P223-K226 VanDerWaalsContact O-N 3.09Å; P223-F227 HydrophobicContact CB-CD2 3.9Å; P223-F227 HydrophobicContact CB-CE2 4.21Å; P223-F227 WeakPolarHBondContact O-CD2 3.23Å; P223-F227 PolarHBondContact O-N 2.58Å
224R84.9Confident74.8Confident171 Ų17199.6 Ų99.665%0.64552%0.516SS*.Hα-helixtrans-59.1-32.7177.7-178.8176.6174.8170.70.3114.2S222 N228S222-R224 PolarHBondContact O-N 2.78Å; R224-N228 WeakPolarHBondContact O-CB 3.36Å; R224-N228 PolarHBondContact O-ND2 3.48Å; R224-N228 PolarHBondContact O-OD1 3.09Å
225Y84Confident77.1Confident141 Ų141103.7 Ų103.755%0.55352%0.515SS*.Hα-helixtrans-98.7-1178.5-63.2-75.8000112.8R219 S222 P223R219-Y225 VanDerWaalsContact O-CD2 3.31Å; R219-Y225 WeakPolarHBondContact O-CD2 3.37Å; S222-Y225 PolarHBondContact O-N 2.63Å; P223-Y225 VanDerWaalsContact C-N 3.29Å; P223-Y225 PolarHBondContact O-N 3.21Å
226K87Confident79.6Confident142 Ų14298.3 Ų98.362%0.61750%0.498SS*.Hα-helixtrans-107.2-27.8179.9-175.6174.3176.6-179.30113.3S222 P223S222-K226 PolarHBondContact O-N 3.22Å; P223-K226 PolarHBondContact O-N 3.41Å; P223-K226 VanDerWaalsContact O-N 3.09Å
227F91.9Very high82.4Confident117 Ų11795.7 Ų95.751%0.51348%0.48SS..SBendtrans-125.17.7-171.3-55.4-64.8000114.3P223 F229P223-F227 HydrophobicContact CB-CD2 3.9Å; P223-F227 HydrophobicContact CB-CE2 4.21Å; P223-F227 WeakPolarHBondContact O-CD2 3.23Å; P223-F227 PolarHBondContact O-N 2.58Å; F227-F229 WeakPolarHBondContact O-CD1 3.47Å; F227-F229 WeakPolarHBondContact O-CE1 3.37Å; F227-F229 PolarHBondContact O-N 3Å; F227-F229 VanDerWaalsContact O-N 3.1Å
228N93.6Very high84.7Confident72 Ų7288 Ų8839%0.38544%0.441SS..  trans-82.534.5177.2-86.725000113.3R224 I230 A231 D232R224-N228 WeakPolarHBondContact O-CB 3.36Å; R224-N228 PolarHBondContact O-ND2 3.48Å; R224-N228 PolarHBondContact O-OD1 3.09Å; N228-I230 PolarHBondContact O-N 2.58Å; N228-A231 HydrophobicContact CB-CB 4.28Å; N228-A231 WeakPolarHBondContact O-CA 3.42Å; N228-A231 WeakPolarHBondContact O-CB 3.32Å; N228-A231 PolarHBondContact O-N 2.89Å; N228-D232 PolarHBondContact O-N 3.05Å
229F95.5Very high86.9Confident74 Ų7485.3 Ų85.333%0.32543%0.425SS..Hα-helixtrans-53.9-32-175.854.2-94.3000113.8F227 A231 D232 V233 F342 L399F227-F229 WeakPolarHBondContact O-CD1 3.47Å; F227-F229 WeakPolarHBondContact O-CE1 3.37Å; F227-F229 PolarHBondContact O-N 3Å; F227-F229 VanDerWaalsContact O-N 3.1Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.95Å; F229-D232 WeakPolarHBondContact CA-OD2 3.05Å; F229-D232 PolarHBondContact O-N 3.39Å; F229-V233 VanDerWaalsContact O-CG2 3.3Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.17Å; F229-F342 HydrophobicContact CE2-CB 4.46Å; F229-F342 HydrophobicContact CE2-CD2 4.18Å; F229-F342 HydrophobicContact CE2-CG 4.15Å; F229-F342 HydrophobicContact CZ-CD2 4.24Å; F229-F342 HydrophobicContact CZ-CE2 4.2Å; F229-F342 HydrophobicContact CZ-CZ 4.46Å; F229-L399 HydrophobicContact CD2-CD1 3.97Å; F229-L399 HydrophobicContact CD2-CD2 3.65Å; F229-L399 HydrophobicContact CD2-CG 4.48Å; F229-L399 HydrophobicContact CE2-CD1 4.14Å; F229-L399 HydrophobicContact CE2-CD2 3.99Å
230I96.6Very high89.2Confident37 Ų3777.1 Ų77.119%0.1940%0.395CS..Hα-helixtrans-61.3-38.3172.8-58.3-57.8000112.2N228 V234 V344 T358 L399N228-I230 PolarHBondContact O-N 2.58Å; I230-V234 WeakPolarHBondContact O-CB 3.22Å; I230-V234 WeakPolarHBondContact O-CG2 3.29Å; I230-V234 PolarHBondContact O-N 3.01Å; I230-V344 HydrophobicContact CD1-CG2 3.84Å; I230-V344 HydrophobicContact CG2-CG2 4.03Å; I230-T358 WeakPolarHBondContact CD1-OG1 3.44Å; I230-L399 HydrophobicContact CD1-CD2 4.03Å
231A94.4Very high91.2Very high48 Ų4872.3 Ų72.340%0.39736%0.363SS..Hα-helixtrans-69.9-40.317700000111.5N228 F229 V233 V234 E235N228-A231 HydrophobicContact CB-CB 4.28Å; N228-A231 WeakPolarHBondContact O-CA 3.42Å; N228-A231 WeakPolarHBondContact O-CB 3.32Å; N228-A231 PolarHBondContact O-N 2.89Å; F229-A231 VanDerWaalsContact C-N 3.33Å; F229-A231 PolarHBondContact O-N 2.95Å; A231-V233 VanDerWaalsContact C-N 3.32Å; A231-V233 PolarHBondContact O-N 2.85Å; A231-V234 PolarHBondContact O-N 3.42Å; A231-E235 PolarHBondContact O-N 3.03Å
232D95Very high92.8Very high103 Ų10367.4 Ų67.455%0.55133%0.329SS*.Hα-helixtrans-63-40.7177.8-49.7-33.5000110.9N228 F229 K236N228-D232 PolarHBondContact O-N 3.05Å; F229-D232 WeakPolarHBondContact CA-OD2 3.05Å; F229-D232 PolarHBondContact O-N 3.39Å; D232-K236 WeakPolarHBondContact O-CB 3.23Å; D232-K236 PolarHBondContact O-N 3.26Å; D232-K236 VanDerWaalsContact O-N 3.12Å
233V96.8Very high93.5Very high8 Ų866.3 Ų66.35%0.04832%0.32CS..Hα-helixtrans-63.2-45.9172.31690000111.3F229 A231 K236 I237 V344 V397 L399F229-V233 VanDerWaalsContact O-CG2 3.3Å; F229-V233 WeakPolarHBondContact O-CG2 3.48Å; F229-V233 PolarHBondContact O-N 3.17Å; A231-V233 VanDerWaalsContact C-N 3.32Å; A231-V233 PolarHBondContact O-N 2.85Å; V233-K236 PolarHBondContact O-N 3.13Å; V233-I237 HydrophobicContact CG1-CD1 4.06Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 WeakPolarHBondContact O-CG2 3.32Å; V233-I237 PolarHBondContact O-N 3.31Å; V233-V344 HydrophobicContact CG1-CB 4.4Å; V233-V344 HydrophobicContact CG1-CG2 4.02Å; V233-V397 HydrophobicContact CG1-CG2 3.76Å; V233-L399 HydrophobicContact CG2-CD2 4.41Å; V233-L399 VanDerWaalsContact CG2-O 3.25Å; V233-L399 WeakPolarHBondContact CG2-O 3.43Å
234V95.6Very high93.8Very high31 Ų3162.2 Ų62.219%0.18829%0.294CS..Hα-helixtrans-61.7-45.4177.9167.60000111.7I230 A231 K236 I237 A238 V344 I346 V356I230-V234 WeakPolarHBondContact O-CB 3.22Å; I230-V234 WeakPolarHBondContact O-CG2 3.29Å; I230-V234 PolarHBondContact O-N 3.01Å; A231-V234 PolarHBondContact O-N 3.42Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 3.03Å; V234-I237 PolarHBondContact O-N 2.89Å; V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 3.23Å; V234-V344 HydrophobicContact CG2-CG1 4.05Å; V234-I346 HydrophobicContact CG1-CD1 4.32Å; V234-V356 HydrophobicContact CG1-CG2 3.92Å; V234-V356 HydrophobicContact CG2-CB 4.39Å; V234-V356 HydrophobicContact CG2-CG1 3.56Å; V234-V356 HydrophobicContact CG2-CG2 3.88Å
235E93.9Very high94.2Very high159 Ų15954.6 Ų54.674%0.74327%0.266SS*.Hα-helixtrans-61.4-39.3178.1-173.2172.4168.800111.5A231A231-E235 PolarHBondContact O-N 3.03Å
236K95.1Very high94.5Very high142 Ų14248.3 Ų48.362%0.61724%0.242SC*.Hα-helixtrans-64.7-43.9176-177.4-178.9179-178.50113.3D232 V233 V234 D400D232-K236 WeakPolarHBondContact O-CB 3.23Å; D232-K236 PolarHBondContact O-N 3.26Å; D232-K236 VanDerWaalsContact O-N 3.12Å; V233-K236 PolarHBondContact O-N 3.13Å; V234-K236 VanDerWaalsContact C-N 3.3Å; V234-K236 PolarHBondContact O-N 3.03Å; K236-D400 PolarHBondContact NZ-O 3.15Å
237I96.4Very high94.6Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-93.4-29.7-170.571.8-168000114.3V233 V234 P239 A240 L329 I346 V397V233-I237 HydrophobicContact CG1-CD1 4.06Å; V233-I237 WeakPolarHBondContact O-CG1 3.33Å; V233-I237 WeakPolarHBondContact O-CG2 3.32Å; V233-I237 PolarHBondContact O-N 3.31Å; V234-I237 PolarHBondContact O-N 2.89Å; I237-P239 VanDerWaalsContact C-CD 3.4Å; I237-P239 VanDerWaalsContact C-N 3.34Å; I237-A240 PolarHBondContact O-N 2.65Å; I237-L329 HydrophobicContact CB-CD1 4.5Å; I237-L329 HydrophobicContact CB-CD2 3.84Å; I237-L329 HydrophobicContact CG2-CD2 3.9Å; I237-I346 HydrophobicContact CD1-CB 4.31Å; I237-I346 HydrophobicContact CD1-CD1 4.12Å; I237-I346 HydrophobicContact CD1-CG2 3.66Å; I237-I346 HydrophobicContact CG1-CD1 3.97Å; I237-I346 HydrophobicContact CG1-CG2 4.21Å; I237-V397 HydrophobicContact CD1-CG1 4.26Å; I237-V397 HydrophobicContact CD1-CG2 3.51Å
238A94.8Very high94.3Very high7 Ų737.4 Ų37.46%0.05819%0.194CC..G310 helixtrans-53.3-37.8-171.600000114.9V234 A240 V241 I346 N354V234-A238 WeakPolarHBondContact O-CB 3.48Å; V234-A238 PolarHBondContact O-N 3.23Å; A238-A240 PolarHBondContact O-N 3.4Å; A238-A240 VanDerWaalsContact O-N 3.16Å; A238-V241 PolarHBondContact O-N 2.86Å; A238-I346 HydrophobicContact CB-CD1 4.24Å; A238-N354 WeakPolarHBondContact CB-ND2 3.29Å
239P94.8Very high93.7Very high43 Ų4341 Ų4128%0.27920%0.202SC..G310 helixtrans-66.5-11.3177.7-23.636.1000115.8I237 H327I237-P239 VanDerWaalsContact C-CD 3.4Å; I237-P239 VanDerWaalsContact C-N 3.34Å; P239-H327 HydrophobicContact CB-CB 4.12Å; P239-H327 WeakPolarHBondContact CB-ND1 3.36Å
240A96.8Very high92.8Very high2 Ų240.2 Ų40.22%0.01720%0.2CC..G310 helixtrans-106-5.6177.700000113.6I237 A238 F265 I266 H327 L329I237-A240 PolarHBondContact O-N 2.65Å; A238-A240 PolarHBondContact O-N 3.4Å; A238-A240 VanDerWaalsContact O-N 3.16Å; A240-F265 WeakPolarHBondContact O-CA 3.04Å; A240-I266 PolarHBondContact O-N 2.92Å; A240-H327 HydrophobicContact CB-CB 4.01Å; A240-L329 HydrophobicContact CB-CD2 3.76Å; A240-L329 HydrophobicContact CB-CG 3.77Å
241V96.8Very high91.4Very high1 Ų142.7 Ų42.71%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-84142.6173-178.10000109A238 I346 P395A238-V241 PolarHBondContact O-N 2.86Å; V241-I346 HydrophobicContact CG2-CD1 4.26Å; V241-I346 HydrophobicContact CG2-CG1 4.26Å; V241-I346 HydrophobicContact CG2-CG2 3.7Å; V241-P395 HydrophobicContact CG2-CG 4.15Å
242V96.3Very high90.3Very high1 Ų147.5 Ų47.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-134.1149.2-176.7-58.50000112I244 S263 G264 I266 I273 V294 L296V242-I244 HydrophobicContact CG2-CD1 4.3Å; V242-I244 HydrophobicContact CG2-CG1 4.07Å; V242-S263 CarbonylContact O-C 3.48Å; V242-S263 WeakPolarHBondContact O-CA 3.35Å; V242-G264 PolarHBondContact N-O 2.99Å; V242-G264 PolarHBondContact O-N 2.86Å; V242-I266 HydrophobicContact CG1-CD1 3.75Å; V242-I266 HydrophobicContact CG1-CG1 3.89Å; V242-I273 HydrophobicContact CG2-CD1 4.19Å; V242-I273 HydrophobicContact CG2-CG1 4.39Å; V242-I273 HydrophobicContact CG2-CG2 3.89Å; V242-V294 HydrophobicContact CB-CG1 3.76Å; V242-V294 HydrophobicContact CG1-CG1 4.09Å; V242-V294 HydrophobicContact CG2-CG1 3.89Å; V242-L296 HydrophobicContact CB-CD2 4.49Å; V242-L296 HydrophobicContact CG1-CD2 3.46Å; V242-L296 VanDerWaalsContact CG1-CD2 3.46Å
243H95.9Very high89.2Confident7 Ų749.7 Ų49.73%0.03224%0.241CC..EExtended strand (participates in β ladder)trans-84.6139167.1177.368.4000109.6S261 V294 Q295 S348 P349H243-S261 PolarHBondContact CE1-OG 3.41Å; H243-V294 CarbonylContact O-C 3.59Å; H243-V294 WeakPolarHBondContact O-CA 3.46Å; H243-Q295 HydrophobicContact CB-CB 4.29Å; H243-Q295 PolarHBondContact N-O 3.19Å; H243-Q295 PolarHBondContact O-N 3.49Å; H243-S348 WeakPolarHBondContact CB-O 3.4Å; H243-S348 PolarHBondContact ND1-O 3.2Å; H243-P349 PolarHBondContact CE1-O 3.17Å; H243-P349 PolarHBondContact ND1-O 2.76Å
244I94.3Very high87.9Confident0 Ų050.8 Ų50.80%026%0.255CS..EExtended strand (participates in β ladder)trans-126.9129.1-178.8-57-177.1000109.5V242 S261 G262 I273 T275 V279 V280 L292 V294 I318V242-I244 HydrophobicContact CG2-CD1 4.3Å; V242-I244 HydrophobicContact CG2-CG1 4.07Å; I244-S261 WeakPolarHBondContact O-CA 3.27Å; I244-G262 PolarHBondContact N-O 3.13Å; I244-G262 PolarHBondContact O-N 3.5Å; I244-I273 HydrophobicContact CD1-CG2 3.97Å; I244-T275 HydrophobicContact CD1-CG2 3.72Å; I244-V279 HydrophobicContact CB-CG1 3.93Å; I244-V279 HydrophobicContact CG2-CG1 3.78Å; I244-V280 HydrophobicContact CG2-CG1 4.28Å; I244-L292 HydrophobicContact CG2-CD1 3.74Å; I244-L292 HydrophobicContact CG2-CG 4.27Å; I244-V294 HydrophobicContact CG1-CG2 4.4Å; I244-I318 HydrophobicContact CD1-CD1 3.78Å; I244-I318 HydrophobicContact CG1-CD1 4.39Å; I244-I318 HydrophobicContact CG2-CD1 4.35Å
245E92Very high87Confident12 Ų1258.8 Ų58.86%0.05628%0.281CS..EExtended strand (participates in β ladder)trans-134.6119.1-173.9-175.1-176.2-158.600110.4F247 R258 R293 Q295E245-F247 HydrophobicContact CG-CD1 4.49Å; E245-R258 HydrophobicContact CG-CG 4.48Å; E245-R258 WeakPolarHBondContact OE1-CD 3.42Å; E245-R258 WeakPolarHBondContact OE1-CG 3.41Å; E245-R293 PolarHBondContact N-O 3.46Å; E245-R293 PolarHBondContact O-N 2.78Å; E245-R293 IonicContact OE1-NH2 2.72Å; E245-R293 PolarHBondContact OE1-NH2 3.23Å; E245-R293 IonicContact OE2-CZ 3.31Å; E245-R293 IonicContact OE2-NE 2.98Å; E245-R293 PolarHBondContact OE2-NE 2.86Å; E245-R293 IonicContact OE2-NH2 2.65Å; E245-R293 PolarHBondContact OE2-NH2 3.46Å; E245-Q295 PolarHBondContact OE2-NE2 3.24Å
246L90.3Very high86.3Confident9 Ų956.5 Ų56.55%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-98.3123.4173.2-176.672.7000108.6L259 S260 T282 P290 L292L246-L259 HydrophobicContact CD2-CB 4.23Å; L246-L259 HydrophobicContact CG-CB 4.32Å; L246-L259 PolarHBondContact O-N 2.04Å; L246-S260 PolarHBondContact N-O 2.78Å; L246-S260 PolarHBondContact O-N 3.47Å; L246-T282 HydrophobicContact CD2-CG2 4.47Å; L246-P290 HydrophobicContact CD1-CB 4Å; L246-L292 HydrophobicContact CB-CD1 3.98Å; L246-L292 HydrophobicContact CD1-CD1 3.92Å
247F88.9Confident85.7Confident25 Ų2553.1 Ų53.111%0.1126%0.262CS..EExtended strand (participates in β ladder)trans-138.6158.1179.365-86.2000112.1E245 H256 V257 P290 Q291 R293E245-F247 HydrophobicContact CG-CD1 4.49Å; F247-H256 HydrophobicContact CD2-CB 4.03Å; F247-H256 AromaticContact CD2-CD2 3.63Å; F247-H256 AromaticContact CE2-CD2 3.54Å; F247-V257 CarbonylContact C-O 3.58Å; F247-V257 WeakPolarHBondContact CA-O 3.29Å; F247-V257 WeakPolarHBondContact CB-O 3.19Å; F247-P290 WeakPolarHBondContact O-CA 3.41Å; F247-Q291 HydrophobicContact CD2-CB 4.38Å; F247-Q291 HydrophobicContact CE1-CB 4.03Å; F247-Q291 HydrophobicContact CE2-CB 3.77Å; F247-Q291 HydrophobicContact CE2-CG 4.46Å; F247-Q291 HydrophobicContact CZ-CB 3.57Å; F247-Q291 PolarHBondContact N-O 3.26Å; F247-Q291 PolarHBondContact O-N 2.98Å; F247-R293 HydrophobicContact CE1-CB 3.79Å
248V86.4Confident85.1Confident4 Ų461 Ų612%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-117.4137.3168.6165.30000109.2H256 V257 L259 V286 T287 P290V248-H256 WeakPolarHBondContact O-CA 3.29Å; V248-V257 PolarHBondContact N-O 3.43Å; V248-V257 PolarHBondContact O-N 3.08Å; V248-L259 HydrophobicContact CB-CD1 4.24Å; V248-L259 HydrophobicContact CG2-CD1 3.52Å; V248-L259 HydrophobicContact CG2-CG 4.36Å; V248-V286 HydrophobicContact CB-CG1 3.87Å; V248-V286 HydrophobicContact CG1-CG1 3.92Å; V248-V286 HydrophobicContact CG2-CB 4.38Å; V248-V286 HydrophobicContact CG2-CG1 3.83Å; V248-T287 WeakPolarHBondContact CG1-O 2.9Å; V248-P290 HydrophobicContact CG2-CB 4.11Å
249R80.8Confident84.6Confident148 Ų14863 Ų6356%0.55830%0.301SS*.EExtended strand (participates in β ladder)trans-83.3112.2168.2-169.5173.6178.9-175.7-5.6109.1
250H76.6Confident84.3Confident57 Ų5762.1 Ų62.126%0.26430%0.296SS..  trans-63.8125.1-177.1-168.9-62.7000110.5L252 F253 G254 R255H250-L252 PolarHBondContact ND1-N 3.07Å; H250-L252 PolarHBondContact O-N 2.97Å; H250-F253 AromaticContact CE1-CD2 3.5Å; H250-F253 VanDerWaalsContact CE1-CD2 3.5Å; H250-F253 WeakPolarHBondContact CE1-CD2 3.42Å; H250-F253 AromaticContact CE1-CE2 3.86Å; H250-F253 AromaticContact ND1-CD2 3.63Å; H250-F253 AromaticContact NE2-CD2 3.89Å; H250-G254 WeakPolarHBondContact O-CA 3.46Å; H250-G254 PolarHBondContact O-N 2.93Å; H250-R255 PolarHBondContact N-O 3.04Å
251P68.4Low83.9Confident90 Ų9064.5 Ų64.558%0.58431%0.312SS*.THydrogen-bonded Turntrans-56.6-51.6-173.7-27.935.2000114
252L70.5Confident83.6Confident148 Ų14864.4 Ų64.478%0.77531%0.312SS*.THydrogen-bonded Turntrans-72.3-36.9-174.7-61172.8000114.8H250H250-L252 PolarHBondContact ND1-N 3.07Å; H250-L252 PolarHBondContact O-N 2.97Å
253F71.7Confident83.5Confident149 Ų14964.4 Ų64.465%0.65431%0.312SS*.THydrogen-bonded Turntrans-108-4-170.6-59.4-61.7000114.3H250 R255H250-F253 AromaticContact CE1-CD2 3.5Å; H250-F253 VanDerWaalsContact CE1-CD2 3.5Å; H250-F253 WeakPolarHBondContact CE1-CD2 3.42Å; H250-F253 AromaticContact CE1-CE2 3.86Å; H250-F253 AromaticContact ND1-CD2 3.63Å; H250-F253 AromaticContact NE2-CD2 3.89Å; F253-R255 PolarHBondContact O-N 2.93Å
254G69.8Low83.6Confident32 Ų3264 Ų6433%0.3331%0.31SS..  trans64.8-8.8-179.700000116.3H250H250-G254 WeakPolarHBondContact O-CA 3.46Å; H250-G254 PolarHBondContact O-N 2.93Å
255R76.1Confident83.7Confident198 Ų19864 Ų6475%0.74731%0.31SS*.PPolyproline II helixtrans-68.2145.3179.6-73.7-178.7168.8178.5-3.5111.8H250 F253H250-R255 PolarHBondContact N-O 3.04Å; F253-R255 PolarHBondContact O-N 2.93Å
256H79.8Confident84Confident111 Ų11163.6 Ų63.651%0.51431%0.308SS..EExtended strand (participates in β ladder)trans-88121171.8-57.5106.7000109.8F247 V248F247-H256 HydrophobicContact CD2-CB 4.03Å; F247-H256 AromaticContact CD2-CD2 3.63Å; F247-H256 AromaticContact CE2-CD2 3.54Å; V248-H256 WeakPolarHBondContact O-CA 3.29Å
257V82.4Confident84.3Confident71 Ų7164.4 Ų64.443%0.4331%0.313SS..EExtended strand (participates in β ladder)trans-102.6121.1174.8-1770000108F247 V248 L259F247-V257 CarbonylContact C-O 3.58Å; F247-V257 WeakPolarHBondContact CA-O 3.29Å; F247-V257 WeakPolarHBondContact CB-O 3.19Å; V248-V257 PolarHBondContact N-O 3.43Å; V248-V257 PolarHBondContact O-N 3.08Å; V257-L259 HydrophobicContact CG1-CD2 4.23Å
258R84.1Confident84.6Confident166 Ų16665.3 Ų65.363%0.62632%0.321SS*.EExtended strand (participates in β ladder)trans-74.8131.2176.7-60.3-174.1-65.7-174.4-1.8109.4E245E245-R258 HydrophobicContact CG-CG 4.48Å; E245-R258 WeakPolarHBondContact OE1-CD 3.42Å; E245-R258 WeakPolarHBondContact OE1-CG 3.41Å
259L85Confident85Confident48 Ų4869.6 Ų69.625%0.25134%0.341SS..EExtended strand (participates in β ladder)trans-110.7-38.6-175.8-58.4-169.5000113L246 V248 V257 T282 V286L246-L259 HydrophobicContact CD2-CB 4.23Å; L246-L259 HydrophobicContact CG-CB 4.32Å; L246-L259 PolarHBondContact O-N 2.04Å; V248-L259 HydrophobicContact CB-CD1 4.24Å; V248-L259 HydrophobicContact CG2-CD1 3.52Å; V248-L259 HydrophobicContact CG2-CG 4.36Å; V257-L259 HydrophobicContact CG1-CD2 4.23Å; L259-T282 HydrophobicContact CD1-CG2 4.15Å; L259-V286 HydrophobicContact CD1-CB 4.11Å; L259-V286 HydrophobicContact CD1-CG1 4.18Å; L259-V286 HydrophobicContact CD1-CG2 3.73Å; L259-V286 HydrophobicContact CD2-CG1 4.14Å; L259-V286 HydrophobicContact CD2-CG2 3.8Å; L259-V286 HydrophobicContact CG-CG2 4.42Å
260S86.7Confident85.4Confident25 Ų2565.7 Ų65.718%0.17534%0.336CS..EExtended strand (participates in β ladder)trans-147.9153.4174.8-164.40000109.3L246 H278 V279L246-S260 PolarHBondContact N-O 2.78Å; L246-S260 PolarHBondContact O-N 3.47Å; S260-H278 PolarHBondContact OG-O 2.88Å; S260-H278 VanDerWaalsContact OG-O 3.07Å; S260-V279 WeakPolarHBondContact CB-O 3.49Å; S260-V279 PolarHBondContact OG-O 2.71Å
261S88.4Confident86.3Confident52 Ų5263 Ų6336%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-151137.9-175.1-178.50000108.4H243 I244H243-S261 PolarHBondContact CE1-OG 3.41Å; I244-S261 WeakPolarHBondContact O-CA 3.27Å
262G91.2Very high87.6Confident0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-175.4-160179.300000111.9I244I244-G262 PolarHBondContact N-O 3.13Å; I244-G262 PolarHBondContact O-N 3.5Å
263S95.3Very high88.9Confident0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-114.4168.3179.8-70.20000112.5V242 T275 G347 S348 G390 S392 G393V242-S263 CarbonylContact O-C 3.48Å; V242-S263 WeakPolarHBondContact O-CA 3.35Å; S263-T275 WeakPolarHBondContact O-CB 3.32Å; S263-T275 PolarHBondContact O-OG1 3.07Å; S263-G347 WeakPolarHBondContact OG-CA 3.15Å; S263-S348 PolarHBondContact OG-N 2.93Å; S263-G390 PolarHBondContact OG-O 2.76Å; S263-S392 WeakPolarHBondContact CB-O 3.33Å; S263-S392 PolarHBondContact N-O 3.45Å; S263-G393 CarbonylContact O-C 3.42Å; S263-G393 VanDerWaalsContact O-CA 3.28Å; S263-G393 WeakPolarHBondContact O-CA 3.47Å
264G96.5Very high90.1Very high0 Ų044.8 Ų44.80%023%0.229CC..EExtended strand (participates in β ladder)trans-154.2-177.1164.700000111.3V242 V274 G393V242-G264 PolarHBondContact N-O 2.99Å; V242-G264 PolarHBondContact O-N 2.86Å; G264-V274 WeakPolarHBondContact CA-O 3.21Å; G264-G393 WeakPolarHBondContact CA-O 3.43Å
265F97.9Very high91.4Very high0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-143.1147174.556.8-80.2000111.9A240 V267 I273 V274 L329 L331 P395 V403 I406 I424A240-F265 WeakPolarHBondContact O-CA 3.04Å; F265-V267 HydrophobicContact CD2-CG1 3.65Å; F265-V267 HydrophobicContact CE2-CG1 3.46Å; F265-V267 VanDerWaalsContact CE2-CG1 3.46Å; F265-I273 CarbonylContact O-C 3.5Å; F265-I273 VanDerWaalsContact O-CA 3.27Å; F265-I273 WeakPolarHBondContact O-CA 3.08Å; F265-V274 HydrophobicContact CE1-CB 3.96Å; F265-V274 HydrophobicContact CE1-CG1 3.79Å; F265-V274 HydrophobicContact CE2-CB 3.95Å; F265-V274 HydrophobicContact CE2-CG1 4.31Å; F265-V274 HydrophobicContact CZ-CB 3.64Å; F265-V274 HydrophobicContact CZ-CG1 3.53Å; F265-V274 PolarHBondContact N-O 3.38Å; F265-V274 PolarHBondContact O-N 3.43Å; F265-L329 HydrophobicContact CB-CD1 3.99Å; F265-L329 HydrophobicContact CD2-CD1 4.37Å; F265-L329 HydrophobicContact CG-CD1 4.42Å; F265-L331 HydrophobicContact CE2-CD2 4Å; F265-P395 HydrophobicContact CB-CB 4.36Å; F265-P395 HydrophobicContact CB-CG 3.93Å; F265-P395 HydrophobicContact CD1-CB 3.7Å; F265-P395 HydrophobicContact CD1-CG 4.01Å; F265-P395 HydrophobicContact CD2-CB 4.48Å; F265-P395 HydrophobicContact CE1-CB 4.06Å; F265-P395 HydrophobicContact CG-CB 3.93Å; F265-P395 HydrophobicContact CG-CG 4.05Å; F265-V403 HydrophobicContact CD2-CG2 3.92Å; F265-V403 HydrophobicContact CE1-CG1 4.37Å; F265-V403 HydrophobicContact CE2-CB 4.23Å; F265-V403 HydrophobicContact CE2-CG1 3.88Å; F265-V403 HydrophobicContact CE2-CG2 3.85Å; F265-V403 HydrophobicContact CZ-CG1 3.74Å; F265-V403 HydrophobicContact CZ-CG2 4.48Å; F265-I406 HydrophobicContact CE1-CG1 4.24Å; F265-I406 HydrophobicContact CZ-CG1 4.4Å; F265-I424 HydrophobicContact CZ-CD1 4.25Å
266I98Very high92.2Very high2 Ų233.9 Ų33.91%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-83.9120.8-176.2-57.2155.5000109.2A240 V242 T268 I273 L296 L326 H327 V328 L329A240-I266 PolarHBondContact O-N 2.92Å; V242-I266 HydrophobicContact CG1-CD1 3.75Å; V242-I266 HydrophobicContact CG1-CG1 3.89Å; I266-T268 VanDerWaalsContact CG2-O 3.25Å; I266-T268 WeakPolarHBondContact CG2-O 3.19Å; I266-I273 HydrophobicContact CB-CG1 4.33Å; I266-I273 HydrophobicContact CG1-CD1 4.27Å; I266-I273 HydrophobicContact CG1-CG1 3.68Å; I266-L296 HydrophobicContact CD1-CD2 4.13Å; I266-L326 HydrophobicContact CD1-CB 4.25Å; I266-L326 HydrophobicContact CD1-CD1 3.99Å; I266-L326 HydrophobicContact CG1-CD1 4.43Å; I266-L326 HydrophobicContact CG2-CB 4.25Å; I266-L326 HydrophobicContact CG2-CD1 4.04Å; I266-H327 WeakPolarHBondContact CB-O 3.29Å; I266-H327 WeakPolarHBondContact CG2-O 3.08Å; I266-V328 HydrophobicContact CG2-CG1 4.13Å; I266-V328 VanDerWaalsContact O-CA 3.3Å; I266-V328 WeakPolarHBondContact O-CA 3.46Å; I266-L329 PolarHBondContact O-N 3.38Å
267V96.6Very high92.8Very high26 Ų2628.7 Ų28.716%0.15815%0.154CC..  trans-104.4-11.8179.3-65.20000113.3F265 V272 V274 L331 L428F265-V267 HydrophobicContact CD2-CG1 3.65Å; F265-V267 HydrophobicContact CE2-CG1 3.46Å; F265-V267 VanDerWaalsContact CE2-CG1 3.46Å; V267-V272 HydrophobicContact CG2-CB 4.16Å; V267-V272 HydrophobicContact CG2-CG1 3.86Å; V267-V272 WeakPolarHBondContact CG2-O 3.07Å; V267-V272 PolarHBondContact N-O 3.16Å; V267-V274 HydrophobicContact CB-CG2 4.47Å; V267-V274 HydrophobicContact CG1-CB 4.27Å; V267-V274 HydrophobicContact CG1-CG2 3.77Å; V267-V274 HydrophobicContact CG2-CG2 3.84Å; V267-L331 HydrophobicContact CG1-CD2 4.43Å; V267-L428 HydrophobicContact CG2-CD2 4.44Å
268T94.9Very high93.1Very high45 Ų4528.7 Ų28.728%0.27615%0.15SC..SBendtrans-137.8145.9171.673.40000113.1I266 S270 G271 V272 V328I266-T268 VanDerWaalsContact CG2-O 3.25Å; I266-T268 WeakPolarHBondContact CG2-O 3.19Å; T268-S270 PolarHBondContact O-N 3.28Å; T268-S270 PolarHBondContact OG1-OG 3.35Å; T268-G271 PolarHBondContact O-N 3.5Å; T268-V272 HydrophobicContact CG2-CB 4.07Å; T268-V272 HydrophobicContact CG2-CG2 4.29Å; T268-V272 PolarHBondContact N-O 3Å; T268-V272 VanDerWaalsContact OG1-CB 3.28Å; T268-V272 WeakPolarHBondContact OG1-CB 3.29Å; T268-V272 WeakPolarHBondContact OG1-CG2 3.41Å; T268-V272 PolarHBondContact OG1-N 3.23Å; T268-V272 VanDerWaalsContact OG1-N 3.1Å; T268-V328 VanDerWaalsContact C-CG1 3.44Å
269H93.4Very high93.4Very high94 Ų9420.9 Ų20.944%0.43512%0.12SC..THydrogen-bonded Turntrans-57.7-17.4172.8-62.4107.1000113.7G271 K325 L326 V328H269-G271 VanDerWaalsContact C-N 3.32Å; H269-K325 HydrophobicContact CB-CG 4.43Å; H269-K325 WeakPolarHBondContact CD2-CE 3.18Å; H269-K325 WeakPolarHBondContact NE2-CE 3.3Å; H269-L326 PolarHBondContact CD2-O 3.27Å; H269-L326 VanDerWaalsContact CD2-O 3.28Å; H269-V328 HydrophobicContact CB-CG1 4.47Å
270S89.8Confident93.6Very high66 Ų6619 Ų1946%0.46211%0.11SC..THydrogen-bonded Turntrans-84.81175.658.90000114.1T268 K319T268-S270 PolarHBondContact O-N 3.28Å; T268-S270 PolarHBondContact OG1-OG 3.35Å; S270-K319 WeakPolarHBondContact O-CE 3.27Å; S270-K319 PolarHBondContact O-NZ 2.94Å
271G94.9Very high93.5Very high0 Ų019.6 Ų19.60%011%0.113CC..  trans87.627.5177.800000115T268 H269 K319 I320T268-G271 PolarHBondContact O-N 3.5Å; H269-G271 VanDerWaalsContact C-N 3.32Å; G271-K319 WeakPolarHBondContact O-CA 3.38Å; G271-I320 WeakPolarHBondContact O-CG1 3.19Å; G271-I320 PolarHBondContact O-N 2.67Å
272V95.8Very high92.8Very high5 Ų518.9 Ų18.93%0.0311%0.107CC..EExtended strand (participates in β ladder)trans-79.6129.1164.1-177.70000108.5V267 T268 T317 I318 K319V267-V272 HydrophobicContact CG2-CB 4.16Å; V267-V272 HydrophobicContact CG2-CG1 3.86Å; V267-V272 WeakPolarHBondContact CG2-O 3.07Å; V267-V272 PolarHBondContact N-O 3.16Å; T268-V272 HydrophobicContact CG2-CB 4.07Å; T268-V272 HydrophobicContact CG2-CG2 4.29Å; T268-V272 PolarHBondContact N-O 3Å; T268-V272 VanDerWaalsContact OG1-CB 3.28Å; T268-V272 WeakPolarHBondContact OG1-CB 3.29Å; T268-V272 WeakPolarHBondContact OG1-CG2 3.41Å; T268-V272 PolarHBondContact OG1-N 3.23Å; T268-V272 VanDerWaalsContact OG1-N 3.1Å; V272-T317 HydrophobicContact CG1-CG2 4.33Å; V272-I318 WeakPolarHBondContact CA-O 3.48Å; V272-K319 HydrophobicContact CG2-CD 4.07Å
273I97.8Very high91.4Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-120.4141.9179.9-71152.7000108.7V242 I244 F265 I266 V294 T317 I318 I320V242-I273 HydrophobicContact CG2-CD1 4.19Å; V242-I273 HydrophobicContact CG2-CG1 4.39Å; V242-I273 HydrophobicContact CG2-CG2 3.89Å; I244-I273 HydrophobicContact CD1-CG2 3.97Å; F265-I273 CarbonylContact O-C 3.5Å; F265-I273 VanDerWaalsContact O-CA 3.27Å; F265-I273 WeakPolarHBondContact O-CA 3.08Å; I266-I273 HydrophobicContact CB-CG1 4.33Å; I266-I273 HydrophobicContact CG1-CD1 4.27Å; I266-I273 HydrophobicContact CG1-CG1 3.68Å; I273-V294 HydrophobicContact CD1-CB 4.49Å; I273-V294 HydrophobicContact CD1-CG1 3.77Å; I273-V294 HydrophobicContact CD1-CG2 4.09Å; I273-T317 VanDerWaalsContact O-CA 3.32Å; I273-T317 WeakPolarHBondContact O-CA 3.43Å; I273-I318 HydrophobicContact CB-CD1 4.33Å; I273-I318 HydrophobicContact CB-CG1 3.7Å; I273-I318 HydrophobicContact CD1-CG1 4.46Å; I273-I318 HydrophobicContact CG2-CD1 4.1Å; I273-I318 HydrophobicContact CG2-CG1 3.91Å; I273-I318 PolarHBondContact N-O 3.35Å; I273-I318 PolarHBondContact O-N 3.06Å; I273-I320 HydrophobicContact CD1-CD1 3.88Å; I273-I320 HydrophobicContact CD1-CG1 3.87Å; I273-I320 HydrophobicContact CD1-CG2 4.21Å
274V97.9Very high89.6Confident0 Ų027.2 Ų27.20%016%0.162CC..EExtended strand (participates in β ladder)trans-104.1143.5170.9172.30000109.4G264 F265 V267 I315 T317 I406 I424 L428G264-V274 WeakPolarHBondContact CA-O 3.21Å; F265-V274 HydrophobicContact CE1-CB 3.96Å; F265-V274 HydrophobicContact CE1-CG1 3.79Å; F265-V274 HydrophobicContact CE2-CB 3.95Å; F265-V274 HydrophobicContact CE2-CG1 4.31Å; F265-V274 HydrophobicContact CZ-CB 3.64Å; F265-V274 HydrophobicContact CZ-CG1 3.53Å; F265-V274 PolarHBondContact N-O 3.38Å; F265-V274 PolarHBondContact O-N 3.43Å; V267-V274 HydrophobicContact CB-CG2 4.47Å; V267-V274 HydrophobicContact CG1-CB 4.27Å; V267-V274 HydrophobicContact CG1-CG2 3.77Å; V267-V274 HydrophobicContact CG2-CG2 3.84Å; V274-I315 HydrophobicContact CG1-CG2 4.48Å; V274-T317 HydrophobicContact CG2-CG2 3.95Å; V274-I406 HydrophobicContact CG1-CD1 3.48Å; V274-I406 VanDerWaalsContact CG1-CD1 3.48Å; V274-I406 HydrophobicContact CG1-CG1 4.15Å; V274-I424 HydrophobicContact CG1-CG2 3.93Å; V274-I424 HydrophobicContact CG2-CG2 4.12Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å; V274-L428 HydrophobicContact CG2-CD2 4.2Å
275T96.8Very high87.7Confident0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-161.8-176.4176.4-176.30000109.2I244 S263 V280 A316I244-T275 HydrophobicContact CD1-CG2 3.72Å; S263-T275 WeakPolarHBondContact O-CB 3.32Å; S263-T275 PolarHBondContact O-OG1 3.07Å; T275-V280 HydrophobicContact CG2-CG1 3.54Å; T275-A316 HydrophobicContact CG2-CB 4.35Å; T275-A316 PolarHBondContact N-O 2.9Å; T275-A316 VanDerWaalsContact N-O 3.13Å; T275-A316 PolarHBondContact O-N 3.49Å; T275-A316 VanDerWaalsContact O-O 3.11Å
276N93.6Very high85.9Confident0 Ų029.8 Ų29.80%018%0.177CC..EExtended strand (participates in β ladder)trans-80.3156.6174.3-70.7117.9000113.4H278 V279 D314 G393 N407 T408 I419N276-H278 VanDerWaalsContact C-N 3.32Å; N276-H278 VanDerWaalsContact CB-CE1 3.48Å; N276-H278 WeakPolarHBondContact CB-CE1 3.42Å; N276-H278 WeakPolarHBondContact CB-ND1 3.47Å; N276-H278 PolarHBondContact O-N 3.01Å; N276-V279 HydrophobicContact CB-CG2 4.13Å; N276-V279 PolarHBondContact O-N 3.34Å; N276-D314 WeakPolarHBondContact CA-O 3.42Å; N276-D314 PolarHBondContact ND2-O 3.37Å; N276-D314 PolarHBondContact ND2-OD2 2.94Å; N276-G393 WeakPolarHBondContact OD1-CA 3.2Å; N276-G393 PolarHBondContact OD1-N 2.68Å; N276-N407 PolarHBondContact OD1-O 2.88Å; N276-T408 WeakPolarHBondContact ND2-CG2 3.45Å; N276-I419 VanDerWaalsContact ND2-CD1 3.33Å; N276-I419 WeakPolarHBondContact ND2-CD1 3.37Å
277A91.9Very high84.3Confident3 Ų334 Ų343%0.02520%0.204CC..Hα-helixtrans-65.9-35.8174.200000111.7V279 V280 T281 V309 D314A277-V279 VanDerWaalsContact C-N 3.28Å; A277-V279 PolarHBondContact O-N 3.07Å; A277-V280 PolarHBondContact O-N 2.68Å; A277-T281 WeakPolarHBondContact O-CB 3.33Å; A277-T281 WeakPolarHBondContact O-CG2 3.27Å; A277-T281 PolarHBondContact O-N 3.24Å; A277-T281 PolarHBondContact O-OG1 2.89Å; A277-V309 HydrophobicContact CB-CG1 3.49Å; A277-V309 VanDerWaalsContact CB-CG1 3.49Å; A277-D314 WeakPolarHBondContact CA-OD1 3.42Å; A277-D314 VanDerWaalsContact CB-OD1 3.25Å; A277-D314 WeakPolarHBondContact CB-OD1 3.24Å; A277-D314 PolarHBondContact N-O 3.3Å; A277-D314 VanDerWaalsContact N-O 3.16Å; A277-D314 PolarHBondContact N-OD1 3.02Å
278H88.4Confident82.9Confident71 Ų7133.8 Ų33.833%0.32921%0.207SC..Hα-helixtrans-68.3-21.4177.375.4-101.3000114.3S260 N276 D314 S392S260-H278 PolarHBondContact OG-O 2.88Å; S260-H278 VanDerWaalsContact OG-O 3.07Å; N276-H278 VanDerWaalsContact C-N 3.32Å; N276-H278 VanDerWaalsContact CB-CE1 3.48Å; N276-H278 WeakPolarHBondContact CB-CE1 3.42Å; N276-H278 WeakPolarHBondContact CB-ND1 3.47Å; N276-H278 PolarHBondContact O-N 3.01Å; H278-D314 IonicContact CE1-OD2 3.61Å; H278-D314 PolarHBondContact CE1-OD2 3.43Å; H278-D314 IonicContact CG-OD1 3.48Å; H278-D314 IonicContact CG-OD2 2.66Å; H278-D314 PolarHBondContact N-OD1 3.49Å; H278-D314 IonicContact ND1-OD1 2.82Å; H278-D314 PolarHBondContact ND1-OD1 3.13Å; H278-D314 IonicContact ND1-OD2 3.14Å; H278-D314 PolarHBondContact ND1-OD2 2.92Å; H278-S392 PolarHBondContact CE1-OG 3.49Å; H278-S392 PolarHBondContact NE2-OG 2.95Å
279V89.9Confident81.9Confident1 Ų138.5 Ų38.51%0.00622%0.219CC..Hα-helixtrans-75.5-33.3176.2174.90000111.4I244 S260 N276 A277I244-V279 HydrophobicContact CB-CG1 3.93Å; I244-V279 HydrophobicContact CG2-CG1 3.78Å; S260-V279 WeakPolarHBondContact CB-O 3.49Å; S260-V279 PolarHBondContact OG-O 2.71Å; N276-V279 HydrophobicContact CB-CG2 4.13Å; N276-V279 PolarHBondContact O-N 3.34Å; A277-V279 VanDerWaalsContact C-N 3.28Å; A277-V279 PolarHBondContact O-N 3.07Å
280V90.5Very high81.4Confident8 Ų836.4 Ų36.45%0.04821%0.214CC..Hα-helixtrans-108.6-1-174.1-53.40000114.3I244 T275 A277 L292 V306 A316 I318I244-V280 HydrophobicContact CG2-CG1 4.28Å; T275-V280 HydrophobicContact CG2-CG1 3.54Å; A277-V280 PolarHBondContact O-N 2.68Å; V280-L292 HydrophobicContact CB-CD1 4.42Å; V280-L292 HydrophobicContact CB-CD2 4.31Å; V280-L292 HydrophobicContact CG1-CD1 4.21Å; V280-L292 HydrophobicContact CG1-CD2 3.96Å; V280-V306 HydrophobicContact CB-CG2 4.18Å; V280-V306 HydrophobicContact CG2-CG2 4.28Å; V280-A316 HydrophobicContact CG2-CB 3.42Å; V280-A316 VanDerWaalsContact CG2-CB 3.42Å; V280-I318 HydrophobicContact CB-CG2 4.46Å; V280-I318 HydrophobicContact CG1-CG2 3.84Å
281T84.8Confident81.3Confident38 Ų3836.3 Ų36.323%0.23321%0.206CC..  trans-119160.4173.764.80000110.9A277A277-T281 WeakPolarHBondContact O-CB 3.33Å; A277-T281 WeakPolarHBondContact O-CG2 3.27Å; A277-T281 PolarHBondContact O-N 3.24Å; A277-T281 PolarHBondContact O-OG1 2.89Å
282T73.1Confident81.2Confident38 Ų3836.7 Ų36.723%0.23321%0.208CC..  trans-130.7144171.8-177.90000109L246 L259 G284L246-T282 HydrophobicContact CD2-CG2 4.47Å; L259-T282 HydrophobicContact CD1-CG2 4.15Å; T282-G284 PolarHBondContact OG1-N 2.86Å
283T61.2Low81.1Confident154 Ų15441 Ų4195%0.94522%0.224SC*.  trans-86.7-25.2174.445.10000112.6
284G58.4Low81Confident20 Ų2041 Ų4121%0.20622%0.224CC..SBendtrans-77.7149.5-173.900000114.6T282 V286T282-G284 PolarHBondContact OG1-N 2.86Å; G284-V286 VanDerWaalsContact C-N 3.28Å; G284-V286 PolarHBondContact O-N 2.87Å
285T55.7Low80.8Confident16 Ų1642.3 Ų42.310%0.09823%0.23CC..  trans-74.873172.135.50000112.3I466 L472 L476 L491T285-I466 HydrophobicContact CG2-CD1 3.78Å; T285-L472 HydrophobicContact CG2-CD1 3.83Å; T285-L476 HydrophobicContact CG2-CD2 4.23Å; T285-L476 WeakPolarHBondContact OG1-CD2 3.34Å; T285-L491 HydrophobicContact CG2-CD2 3.86Å
286V61.4Low80.7Confident38 Ų3842.8 Ų42.823%0.2323%0.232CC..  trans-85134.8174.4-165.80000110.7V248 L259 G284 Q493V248-V286 HydrophobicContact CB-CG1 3.87Å; V248-V286 HydrophobicContact CG1-CG1 3.92Å; V248-V286 HydrophobicContact CG2-CB 4.38Å; V248-V286 HydrophobicContact CG2-CG1 3.83Å; L259-V286 HydrophobicContact CD1-CB 4.11Å; L259-V286 HydrophobicContact CD1-CG1 4.18Å; L259-V286 HydrophobicContact CD1-CG2 3.73Å; L259-V286 HydrophobicContact CD2-CG1 4.14Å; L259-V286 HydrophobicContact CD2-CG2 3.8Å; L259-V286 HydrophobicContact CG-CG2 4.42Å; G284-V286 VanDerWaalsContact C-N 3.28Å; G284-V286 PolarHBondContact O-N 2.87Å; V286-Q493 PolarHBondContact O-NE2 2.9Å; V286-Q493 VanDerWaalsContact O-NE2 3.17Å
287T63.3Low80.4Confident92 Ų9246.6 Ų46.656%0.56425%0.25SS*.SBendtrans-89.1123.517847.60000111.5V248V248-T287 WeakPolarHBondContact CG1-O 2.9Å
288G67.4Low80.2Confident21 Ų2150.5 Ų50.522%0.21627%0.271CS..SBendtrans118.2-177.2-174.600000112.4
289R74.1Confident80.2Confident143 Ų14348.8 Ų48.854%0.5427%0.272SS..  trans-93.8128.1178.6-57.5-157.3-147.1128.138111Q494R289-Q494 HydrophobicContact CG-CG 4.39Å
290P81.9Confident80.3Confident50 Ų5051.3 Ų51.333%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-69.3130.9168.628.2-32000109.8L246 F247 V248L246-P290 HydrophobicContact CD1-CB 4Å; F247-P290 WeakPolarHBondContact O-CA 3.41Å; V248-P290 HydrophobicContact CG2-CB 4.11Å
291Q88.1Confident80.4Confident65 Ų6553.7 Ų53.730%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-113144.4169.3-66.5-174-89.700108.7F247 E303F247-Q291 HydrophobicContact CD2-CB 4.38Å; F247-Q291 HydrophobicContact CE1-CB 4.03Å; F247-Q291 HydrophobicContact CE2-CB 3.77Å; F247-Q291 HydrophobicContact CE2-CG 4.46Å; F247-Q291 HydrophobicContact CZ-CB 3.57Å; F247-Q291 PolarHBondContact N-O 3.26Å; F247-Q291 PolarHBondContact O-N 2.98Å; Q291-E303 PolarHBondContact NE2-OE1 3.5Å
292L92.7Very high80.9Confident8 Ų853.5 Ų53.54%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-114.4122.9179.7-168.773.4000108.9I244 L246 V280 A304 V306 I318I244-L292 HydrophobicContact CG2-CD1 3.74Å; I244-L292 HydrophobicContact CG2-CG 4.27Å; L246-L292 HydrophobicContact CB-CD1 3.98Å; L246-L292 HydrophobicContact CD1-CD1 3.92Å; V280-L292 HydrophobicContact CB-CD1 4.42Å; V280-L292 HydrophobicContact CB-CD2 4.31Å; V280-L292 HydrophobicContact CG1-CD1 4.21Å; V280-L292 HydrophobicContact CG1-CD2 3.96Å; L292-A304 HydrophobicContact CB-CB 4.36Å; L292-A304 HydrophobicContact CD2-CB 3.99Å; L292-A304 HydrophobicContact CG-CB 4.23Å; L292-A304 PolarHBondContact O-N 3.25Å; L292-V306 HydrophobicContact CD2-CG2 4.2Å; L292-I318 HydrophobicContact CD2-CB 4.17Å; L292-I318 HydrophobicContact CD2-CD1 3.73Å; L292-I318 HydrophobicContact CD2-CG2 3.75Å
293R94.3Very high81.9Confident94 Ų9458 Ų5836%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-110.7135.2175.4171.2166.267.5174.83109.7E245 F247 Q295 Y302E245-R293 PolarHBondContact N-O 3.46Å; E245-R293 PolarHBondContact O-N 2.78Å; E245-R293 IonicContact OE1-NH2 2.72Å; E245-R293 PolarHBondContact OE1-NH2 3.23Å; E245-R293 IonicContact OE2-CZ 3.31Å; E245-R293 IonicContact OE2-NE 2.98Å; E245-R293 PolarHBondContact OE2-NE 2.86Å; E245-R293 IonicContact OE2-NH2 2.65Å; E245-R293 PolarHBondContact OE2-NH2 3.46Å; F247-R293 HydrophobicContact CE1-CB 3.79Å; R293-Q295 HydrophobicContact CG-CG 3.92Å; R293-Y302 WeakPolarHBondContact CA-O 3.46Å
294V95.6Very high83.5Confident0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-109.3137.4169.2174.20000107.8V242 H243 I244 I273 L296 A301 Y302 A304 I318 I320V242-V294 HydrophobicContact CB-CG1 3.76Å; V242-V294 HydrophobicContact CG1-CG1 4.09Å; V242-V294 HydrophobicContact CG2-CG1 3.89Å; H243-V294 CarbonylContact O-C 3.59Å; H243-V294 WeakPolarHBondContact O-CA 3.46Å; I244-V294 HydrophobicContact CG1-CG2 4.4Å; I273-V294 HydrophobicContact CD1-CB 4.49Å; I273-V294 HydrophobicContact CD1-CG1 3.77Å; I273-V294 HydrophobicContact CD1-CG2 4.09Å; V294-L296 HydrophobicContact CG1-CD2 4.26Å; V294-A301 CarbonylContact O-C 3.53Å; V294-A301 WeakPolarHBondContact O-CA 3.21Å; V294-Y302 PolarHBondContact N-O 2.85Å; V294-Y302 PolarHBondContact O-N 3.31Å; V294-A304 HydrophobicContact CG2-CB 3.72Å; V294-I318 HydrophobicContact CG2-CD1 3.54Å; V294-I320 HydrophobicContact CB-CG2 3.84Å; V294-I320 HydrophobicContact CG1-CD1 4.49Å; V294-I320 HydrophobicContact CG1-CG2 4.37Å; V294-I320 HydrophobicContact CG2-CG2 3.78Å
295Q94.8Very high85.2Confident28 Ų2853.1 Ų53.113%0.13129%0.294CS..EExtended strand (participates in β ladder)trans-122.8127.2174.3-51.2-174.958.700108.8H243 E245 R293 D300 A301 A351H243-Q295 HydrophobicContact CB-CB 4.29Å; H243-Q295 PolarHBondContact N-O 3.19Å; H243-Q295 PolarHBondContact O-N 3.49Å; E245-Q295 PolarHBondContact OE2-NE2 3.24Å; R293-Q295 HydrophobicContact CG-CG 3.92Å; Q295-D300 WeakPolarHBondContact CA-O 3.34Å; Q295-A301 HydrophobicContact CG-CB 4.2Å; Q295-A351 HydrophobicContact CB-CB 4.44Å
296L93.4Very high87Confident10 Ų1055.8 Ų55.85%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-82.5164.6-178-58.6-167.2000111.7V242 I266 V294 D298 G299 D300 Y302 I320 L326V242-L296 HydrophobicContact CB-CD2 4.49Å; V242-L296 HydrophobicContact CG1-CD2 3.46Å; V242-L296 VanDerWaalsContact CG1-CD2 3.46Å; I266-L296 HydrophobicContact CD1-CD2 4.13Å; V294-L296 HydrophobicContact CG1-CD2 4.26Å; L296-D298 WeakPolarHBondContact CB-OD1 3.39Å; L296-D298 PolarHBondContact O-N 2.91Å; L296-D298 VanDerWaalsContact O-N 3.16Å; L296-G299 PolarHBondContact O-N 2.84Å; L296-D300 HydrophobicContact CB-CB 4.32Å; L296-D300 HydrophobicContact CD1-CB 4.09Å; L296-D300 HydrophobicContact CG-CB 4.19Å; L296-D300 PolarHBondContact N-O 3.17Å; L296-Y302 HydrophobicContact CD1-CD2 4.31Å; L296-Y302 HydrophobicContact CD1-CE2 3.65Å; L296-Y302 HydrophobicContact CG-CD2 4.15Å; L296-Y302 HydrophobicContact CG-CE2 3.94Å; L296-I320 HydrophobicContact CD2-CD1 4.25Å; L296-L326 HydrophobicContact CD1-CD2 3.69Å
297H88.4Confident88.4Confident80 Ų8057.8 Ų57.837%0.3731%0.313SS..THydrogen-bonded Turntrans-54.6-28.8174.2179.8-84.8000114.1L352H297-L352 WeakPolarHBondContact O-CD2 3.38Å
298D87.6Confident89.7Confident86 Ų8654.7 Ų54.746%0.4629%0.293SS..THydrogen-bonded Turntrans-890.3177.357.719.9000114.4L296 D300 K324L296-D298 WeakPolarHBondContact CB-OD1 3.39Å; L296-D298 PolarHBondContact O-N 2.91Å; L296-D298 VanDerWaalsContact O-N 3.16Å; D298-D300 PolarHBondContact OD1-N 3.16Å; D298-K324 IonicContact OD1-NZ 2.73Å; D298-K324 WeakPolarHBondContact OD2-CE 3.28Å; D298-K324 IonicContact OD2-NZ 2.93Å; D298-K324 PolarHBondContact OD2-NZ 3.02Å
299G88.3Confident90.9Very high35 Ų3555.9 Ų55.936%0.36130%0.296SS..SBendtrans91.3-4.6179.200000115.2L296 A301L296-G299 PolarHBondContact O-N 2.84Å; G299-A301 PolarHBondContact O-N 2.81Å
300D90.9Very high91.7Very high54 Ų5450.7 Ų50.729%0.28928%0.279SS..  trans-60130.1172-81.810.4000110.3Q295 L296 D298 Y302 K324Q295-D300 WeakPolarHBondContact CA-O 3.34Å; L296-D300 HydrophobicContact CB-CB 4.32Å; L296-D300 HydrophobicContact CD1-CB 4.09Å; L296-D300 HydrophobicContact CG-CB 4.19Å; L296-D300 PolarHBondContact N-O 3.17Å; D298-D300 PolarHBondContact OD1-N 3.16Å; D300-Y302 HydrophobicContact CB-CD2 4.24Å; D300-Y302 HydrophobicContact CB-CE2 3.44Å; D300-Y302 VanDerWaalsContact CB-CE2 3.44Å; D300-Y302 PolarHBondContact OD2-OH 2.97Å; D300-K324 IonicContact OD1-NZ 2.81Å; D300-K324 PolarHBondContact OD1-NZ 2.9Å; D300-K324 VanDerWaalsContact OD2-CE 3.27Å; D300-K324 WeakPolarHBondContact OD2-CE 3.16Å; D300-K324 IonicContact OD2-NZ 3.58Å; D300-K324 PolarHBondContact OD2-NZ 2.85Å
301A92.9Very high91.9Very high58 Ų5857.2 Ų57.248%0.47930%0.297SS..EExtended strand (participates in β ladder)trans-107.6133.3174.400000111.8V294 Q295 G299V294-A301 CarbonylContact O-C 3.53Å; V294-A301 WeakPolarHBondContact O-CA 3.21Å; Q295-A301 HydrophobicContact CG-CB 4.2Å; G299-A301 PolarHBondContact O-N 2.81Å
302Y94.9Very high91.7Very high34 Ų3459.2 Ų59.213%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-127.2139.7180-65.2-87.5000111R293 V294 L296 D300 I320 P322R293-Y302 WeakPolarHBondContact CA-O 3.46Å; V294-Y302 PolarHBondContact N-O 2.85Å; V294-Y302 PolarHBondContact O-N 3.31Å; L296-Y302 HydrophobicContact CD1-CD2 4.31Å; L296-Y302 HydrophobicContact CD1-CE2 3.65Å; L296-Y302 HydrophobicContact CG-CD2 4.15Å; L296-Y302 HydrophobicContact CG-CE2 3.94Å; D300-Y302 HydrophobicContact CB-CD2 4.24Å; D300-Y302 HydrophobicContact CB-CE2 3.44Å; D300-Y302 VanDerWaalsContact CB-CE2 3.44Å; D300-Y302 PolarHBondContact OD2-OH 2.97Å; Y302-I320 HydrophobicContact CD2-CD1 4.04Å; Y302-I320 HydrophobicContact CG-CB 4.34Å; Y302-I320 HydrophobicContact CG-CD1 4.2Å; Y302-P322 HydrophobicContact CE1-CB 4.43Å
303E94.8Very high91.3Very high131 Ų13158.9 Ų58.961%0.61230%0.303SS*.EExtended strand (participates in β ladder)trans-72.2138.3162.5-173168.6-142.600109.4Q291Q291-E303 PolarHBondContact NE2-OE1 3.5Å
304A95.8Very high91Very high11 Ų1156 Ų569%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-123.7141.9-174.500000111.7L292 V294 I318 K319 I320L292-A304 HydrophobicContact CB-CB 4.36Å; L292-A304 HydrophobicContact CD2-CB 3.99Å; L292-A304 HydrophobicContact CG-CB 4.23Å; L292-A304 PolarHBondContact O-N 3.25Å; V294-A304 HydrophobicContact CG2-CB 3.72Å; A304-I318 HydrophobicContact CB-CD1 4.14Å; A304-K319 WeakPolarHBondContact CA-O 3.46Å; A304-I320 HydrophobicContact CB-CG2 3.66Å
305A93Very high90.9Very high62 Ų6256 Ų5651%0.51229%0.294SS..EExtended strand (participates in β ladder)trans-102.7136.317000000110.4I318 K319A305-I318 CarbonylContact O-C 3.12Å; A305-I318 VanDerWaalsContact O-CA 3.27Å; A305-I318 WeakPolarHBondContact O-CA 3.4Å; A305-K319 PolarHBondContact N-O 2.9Å; A305-K319 PolarHBondContact O-N 3.36Å
306V92.9Very high91Very high71 Ų7154.7 Ų54.743%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-68.7131.6168.4179.60000108.9V280 L292 V309 I318V280-V306 HydrophobicContact CB-CG2 4.18Å; V280-V306 HydrophobicContact CG2-CG2 4.28Å; L292-V306 HydrophobicContact CD2-CG2 4.2Å; V306-V309 HydrophobicContact CG1-CG2 3.42Å; V306-V309 VanDerWaalsContact CG1-CG2 3.42Å; V306-I318 HydrophobicContact CG2-CG2 4.18Å
307R90.8Very high91.1Very high81 Ų8154.2 Ų54.231%0.30629%0.286SS..EExtended strand (participates in β ladder)trans-102.7-45.8-176.4-178-177.9-179.3-177.7-0.7112.8T317R307-T317 PolarHBondContact N-O 2.97Å
308D92.3Very high91.5Very high27 Ų2750.4 Ų50.414%0.14427%0.268CS..EExtended strand (participates in β ladder)trans-158.7150.6-178.3-152.8-19.7000109.1A316 T317 F427 S431 K434D308-A316 WeakPolarHBondContact O-CA 3.47Å; D308-T317 PolarHBondContact N-O 3.39Å; D308-T317 PolarHBondContact O-N 3.44Å; D308-F427 HydrophobicContact CB-CE2 4.4Å; D308-F427 HydrophobicContact CB-CZ 3.88Å; D308-S431 VanDerWaalsContact CB-OG 3.23Å; D308-S431 WeakPolarHBondContact CB-OG 3.48Å; D308-S431 WeakPolarHBondContact OD2-CA 3.46Å; D308-S431 WeakPolarHBondContact OD2-CB 3.3Å; D308-S431 PolarHBondContact OD2-OG 3.29Å; D308-K434 VanDerWaalsContact CG-NZ 3.29Å; D308-K434 IonicContact OD1-NZ 2.7Å; D308-K434 PolarHBondContact OD1-NZ 2.7Å; D308-K434 VanDerWaalsContact OD1-NZ 3.07Å; D308-K434 IonicContact OD2-NZ 3.1Å; D308-K434 PolarHBondContact OD2-NZ 3.48Å
309V92.2Very high91.9Very high46 Ų4649.1 Ų49.128%0.27926%0.259SS..EExtended strand (participates in β ladder)trans-146.9120.4-176.1-174.30000110.5A277 V306 R311 I315 A316A277-V309 HydrophobicContact CB-CG1 3.49Å; A277-V309 VanDerWaalsContact CB-CG1 3.49Å; V306-V309 HydrophobicContact CG1-CG2 3.42Å; V306-V309 VanDerWaalsContact CG1-CG2 3.42Å; V309-R311 HydrophobicContact CG1-CG 4.08Å; V309-I315 CarbonylContact C-O 3.6Å; V309-I315 WeakPolarHBondContact CA-O 3.42Å; V309-A316 HydrophobicContact CG1-CB 4.41Å; V309-A316 HydrophobicContact CG2-CB 4.07Å
310D90.1Very high92.3Very high33 Ų3347.4 Ų47.418%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-100.4105.8165-178.9-9.6000108.7K312 A313 D314 I315 R423 F427D310-K312 WeakPolarHBondContact OD1-CA 3.44Å; D310-K312 PolarHBondContact OD1-N 3.01Å; D310-A313 HydrophobicContact CB-CB 4.14Å; D310-A313 VanDerWaalsContact CG-CB 3.47Å; D310-A313 PolarHBondContact OD1-N 3.31Å; D310-A313 WeakPolarHBondContact OD2-CB 3.34Å; D310-D314 CarbonylContact O-C 3.6Å; D310-D314 WeakPolarHBondContact O-CA 3.5Å; D310-D314 PolarHBondContact O-N 2.96Å; D310-I315 PolarHBondContact N-O 2.97Å; D310-I315 PolarHBondContact O-N 3.09Å; D310-R423 IonicContact OD2-CZ 2.73Å; D310-R423 IonicContact OD2-NH2 2.67Å; D310-R423 PolarHBondContact OD2-NH2 2.93Å; D310-F427 HydrophobicContact CB-CD2 3.89Å; D310-F427 HydrophobicContact CB-CE2 3.68Å
311R87.3Confident92.5Very high187 Ų18750.4 Ų50.471%0.70626%0.257SS*.THydrogen-bonded Turntrans-76.3-18.7177.7-69.8-172.4179.7-171.5-0.9114.1V309V309-R311 HydrophobicContact CG1-CG 4.08Å
312K83.6Confident92.5Very high108 Ų10849 Ų4947%0.4724%0.244SC..THydrogen-bonded Turntrans-81.8-35175.5174.8162.4170.9152.30110.8D310 D375 D377D310-K312 WeakPolarHBondContact OD1-CA 3.44Å; D310-K312 PolarHBondContact OD1-N 3.01Å; K312-D375 WeakPolarHBondContact CE-O 3.43Å; K312-D375 PolarHBondContact NZ-O 2.91Å; K312-D377 IonicContact NZ-OD2 3.46Å; K312-D377 PolarHBondContact NZ-OD2 2.82Å
313A83.6Confident92.3Very high0 Ų056 Ų560%028%0.277CS..THydrogen-bonded Turntrans-85.7-9.5171.800000114D310 I315 M378 I419 R423D310-A313 HydrophobicContact CB-CB 4.14Å; D310-A313 VanDerWaalsContact CG-CB 3.47Å; D310-A313 PolarHBondContact OD1-N 3.31Å; D310-A313 WeakPolarHBondContact OD2-CB 3.34Å; A313-I315 VanDerWaalsContact C-N 3.32Å; A313-I315 HydrophobicContact CB-CD1 3.83Å; A313-I315 HydrophobicContact CB-CG1 3.87Å; A313-I315 PolarHBondContact O-N 2.98Å; A313-M378 HydrophobicContact CB-CE 3.75Å; A313-M378 HydrophobicContact CB-SD 4.01Å; A313-I419 WeakPolarHBondContact O-CD1 3.5Å; A313-R423 HydrophobicContact CB-CG 4.37Å
314D88.8Confident92.1Very high34 Ų3453.7 Ų53.718%0.18227%0.265CS..THydrogen-bonded Turntrans53.542-169.2-170.629.5000113.4N276 A277 H278 D310 I419N276-D314 WeakPolarHBondContact CA-O 3.42Å; N276-D314 PolarHBondContact ND2-O 3.37Å; N276-D314 PolarHBondContact ND2-OD2 2.94Å; A277-D314 WeakPolarHBondContact CA-OD1 3.42Å; A277-D314 VanDerWaalsContact CB-OD1 3.25Å; A277-D314 WeakPolarHBondContact CB-OD1 3.24Å; A277-D314 PolarHBondContact N-O 3.3Å; A277-D314 VanDerWaalsContact N-O 3.16Å; A277-D314 PolarHBondContact N-OD1 3.02Å; H278-D314 IonicContact CE1-OD2 3.61Å; H278-D314 PolarHBondContact CE1-OD2 3.43Å; H278-D314 IonicContact CG-OD1 3.48Å; H278-D314 IonicContact CG-OD2 2.66Å; H278-D314 PolarHBondContact N-OD1 3.49Å; H278-D314 IonicContact ND1-OD1 2.82Å; H278-D314 PolarHBondContact ND1-OD1 3.13Å; H278-D314 IonicContact ND1-OD2 3.14Å; H278-D314 PolarHBondContact ND1-OD2 2.92Å; D310-D314 CarbonylContact O-C 3.6Å; D310-D314 WeakPolarHBondContact O-CA 3.5Å; D310-D314 PolarHBondContact O-N 2.96Å; D314-I419 HydrophobicContact CB-CD1 4.4Å
315I93.2Very high91.8Very high0 Ų061 Ų610%030%0.295CS..EExtended strand (participates in β ladder)trans-111.8138.5176.9-51.7171.3000109.7V274 V309 D310 A313 I406 I419 R423 F427V274-I315 HydrophobicContact CG1-CG2 4.48Å; V309-I315 CarbonylContact C-O 3.6Å; V309-I315 WeakPolarHBondContact CA-O 3.42Å; D310-I315 PolarHBondContact N-O 2.97Å; D310-I315 PolarHBondContact O-N 3.09Å; A313-I315 VanDerWaalsContact C-N 3.32Å; A313-I315 HydrophobicContact CB-CD1 3.83Å; A313-I315 HydrophobicContact CB-CG1 3.87Å; A313-I315 PolarHBondContact O-N 2.98Å; I315-I406 HydrophobicContact CG1-CD1 4.2Å; I315-I406 HydrophobicContact CG2-CD1 3.99Å; I315-I419 HydrophobicContact CD1-CG2 3.94Å; I315-I419 HydrophobicContact CG1-CD1 3.97Å; I315-I419 HydrophobicContact CG1-CG2 4.15Å; I315-R423 HydrophobicContact CD1-CB 4.5Å; I315-R423 HydrophobicContact CD1-CG 3.74Å; I315-F427 HydrophobicContact CB-CD1 4.21Å; I315-F427 HydrophobicContact CB-CE1 4.26Å; I315-F427 HydrophobicContact CB-CG 4.47Å; I315-F427 HydrophobicContact CD1-CB 4.3Å; I315-F427 HydrophobicContact CG2-CD1 3.46Å; I315-F427 VanDerWaalsContact CG2-CD1 3.46Å; I315-F427 HydrophobicContact CG2-CE1 3.58Å; I315-F427 HydrophobicContact CG2-CG 4.14Å; I315-F427 HydrophobicContact CG2-CZ 4.33Å
316A95.6Very high91.9Very high0 Ų058.5 Ų58.50%027%0.273CS..EExtended strand (participates in β ladder)trans-131.3152.2165.900000112.3T275 V280 D308 V309T275-A316 HydrophobicContact CG2-CB 4.35Å; T275-A316 PolarHBondContact N-O 2.9Å; T275-A316 VanDerWaalsContact N-O 3.13Å; T275-A316 PolarHBondContact O-N 3.49Å; T275-A316 VanDerWaalsContact O-O 3.11Å; V280-A316 HydrophobicContact CG2-CB 3.42Å; V280-A316 VanDerWaalsContact CG2-CB 3.42Å; D308-A316 WeakPolarHBondContact O-CA 3.47Å; V309-A316 HydrophobicContact CG1-CB 4.41Å; V309-A316 HydrophobicContact CG2-CB 4.07Å
317T96.4Very high92Very high1 Ų161 Ų611%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-115.9140.516350.10000110.7V272 I273 V274 R307 D308 F427 L428V272-T317 HydrophobicContact CG1-CG2 4.33Å; I273-T317 VanDerWaalsContact O-CA 3.32Å; I273-T317 WeakPolarHBondContact O-CA 3.43Å; V274-T317 HydrophobicContact CG2-CG2 3.95Å; R307-T317 PolarHBondContact N-O 2.97Å; D308-T317 PolarHBondContact N-O 3.39Å; D308-T317 PolarHBondContact O-N 3.44Å; T317-F427 HydrophobicContact CG2-CD1 4.34Å; T317-F427 HydrophobicContact CG2-CE1 3.79Å; T317-L428 HydrophobicContact CG2-CD2 3.57Å
318I96.4Very high92.3Very high0 Ų059.4 Ų59.40%028%0.279CS..EExtended strand (participates in β ladder)trans-128.3160.417672.1178.3000110.1I244 V272 I273 V280 L292 V294 A304 A305 V306I244-I318 HydrophobicContact CD1-CD1 3.78Å; I244-I318 HydrophobicContact CG1-CD1 4.39Å; I244-I318 HydrophobicContact CG2-CD1 4.35Å; V272-I318 WeakPolarHBondContact CA-O 3.48Å; I273-I318 HydrophobicContact CB-CD1 4.33Å; I273-I318 HydrophobicContact CB-CG1 3.7Å; I273-I318 HydrophobicContact CD1-CG1 4.46Å; I273-I318 HydrophobicContact CG2-CD1 4.1Å; I273-I318 HydrophobicContact CG2-CG1 3.91Å; I273-I318 PolarHBondContact N-O 3.35Å; I273-I318 PolarHBondContact O-N 3.06Å; V280-I318 HydrophobicContact CB-CG2 4.46Å; V280-I318 HydrophobicContact CG1-CG2 3.84Å; L292-I318 HydrophobicContact CD2-CB 4.17Å; L292-I318 HydrophobicContact CD2-CD1 3.73Å; L292-I318 HydrophobicContact CD2-CG2 3.75Å; V294-I318 HydrophobicContact CG2-CD1 3.54Å; A304-I318 HydrophobicContact CB-CD1 4.14Å; A305-I318 CarbonylContact O-C 3.12Å; A305-I318 VanDerWaalsContact O-CA 3.27Å; A305-I318 WeakPolarHBondContact O-CA 3.4Å; V306-I318 HydrophobicContact CG2-CG2 4.18Å
319K95.8Very high92.5Very high58 Ų5858.8 Ų58.825%0.25228%0.276SS..EExtended strand (participates in β ladder)trans-128.6120.1-176.4-179.863171.770.80110.5S270 G271 V272 A304 A305 N321S270-K319 WeakPolarHBondContact O-CE 3.27Å; S270-K319 PolarHBondContact O-NZ 2.94Å; G271-K319 WeakPolarHBondContact O-CA 3.38Å; V272-K319 HydrophobicContact CG2-CD 4.07Å; A304-K319 WeakPolarHBondContact CA-O 3.46Å; A305-K319 PolarHBondContact N-O 2.9Å; A305-K319 PolarHBondContact O-N 3.36Å; K319-N321 PolarHBondContact NZ-OD1 3.29Å
320I96.8Very high92.7Very high0 Ų059.5 Ų59.50%028%0.283CS..  trans-101.6159.3163.758.4168.4000110.4G271 I273 V294 L296 Y302 A304 P322 L326G271-I320 WeakPolarHBondContact O-CG1 3.19Å; G271-I320 PolarHBondContact O-N 2.67Å; I273-I320 HydrophobicContact CD1-CD1 3.88Å; I273-I320 HydrophobicContact CD1-CG1 3.87Å; I273-I320 HydrophobicContact CD1-CG2 4.21Å; V294-I320 HydrophobicContact CB-CG2 3.84Å; V294-I320 HydrophobicContact CG1-CD1 4.49Å; V294-I320 HydrophobicContact CG1-CG2 4.37Å; V294-I320 HydrophobicContact CG2-CG2 3.78Å; L296-I320 HydrophobicContact CD2-CD1 4.25Å; Y302-I320 HydrophobicContact CD2-CD1 4.04Å; Y302-I320 HydrophobicContact CG-CB 4.34Å; Y302-I320 HydrophobicContact CG-CD1 4.2Å; A304-I320 HydrophobicContact CB-CG2 3.66Å; I320-P322 VanDerWaalsContact O-CD 3.27Å; I320-P322 WeakPolarHBondContact O-CD 3.43Å; I320-L326 HydrophobicContact CD1-CD1 3.92Å; I320-L326 HydrophobicContact CG1-CD1 4.49Å
321N95.6Very high93.1Very high117 Ų11760.1 Ų60.163%0.62629%0.285SS*.  trans-112.185.8176.5-65.7-35.6000109.7K319K319-N321 PolarHBondContact NZ-OD1 3.29Å
322P93.4Very high93.4Very high29 Ų2951.5 Ų51.519%0.18826%0.255CS..  trans-76.1146.5-175.534.1-37.8000111.7Y302 I320 K324 L326Y302-P322 HydrophobicContact CE1-CB 4.43Å; I320-P322 VanDerWaalsContact O-CD 3.27Å; I320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-K324 VanDerWaalsContact C-N 3.32Å; P322-L326 HydrophobicContact CB-CD1 3.91Å; P322-L326 HydrophobicContact CB-CD2 3.81Å; P322-L326 HydrophobicContact CB-CG 3.82Å; P322-L326 HydrophobicContact CG-CD1 3.79Å; P322-L326 HydrophobicContact CG-CD2 4.46Å; P322-L326 HydrophobicContact CG-CG 3.91Å
323Q90.1Very high94Very high179 Ų17948.5 Ų48.584%0.83625%0.248SC*.SBendtrans-83.8-10.6174.2-58-60.5-21.700112.8
324K90.4Very high94.4Very high84 Ų8448.9 Ų48.937%0.36525%0.25SS..SBendtrans-130155.7-176.868.5-160-172.5-164.40110.8D298 D300 P322 L326D298-K324 IonicContact OD1-NZ 2.73Å; D298-K324 WeakPolarHBondContact OD2-CE 3.28Å; D298-K324 IonicContact OD2-NZ 2.93Å; D298-K324 PolarHBondContact OD2-NZ 3.02Å; D300-K324 IonicContact OD1-NZ 2.81Å; D300-K324 PolarHBondContact OD1-NZ 2.9Å; D300-K324 VanDerWaalsContact OD2-CE 3.27Å; D300-K324 WeakPolarHBondContact OD2-CE 3.16Å; D300-K324 IonicContact OD2-NZ 3.58Å; D300-K324 PolarHBondContact OD2-NZ 2.85Å; P322-K324 VanDerWaalsContact C-N 3.32Å; K324-L326 HydrophobicContact CG-CD2 4.44Å; K324-L326 PolarHBondContact O-N 3.11Å
325K90.4Very high94.5Very high163 Ų16350.3 Ų50.371%0.70927%0.267SS*.PPolyproline II helixtrans-65.4121.6172.6-176.1-178.4176.5-172.60108.7H269H269-K325 HydrophobicContact CB-CG 4.43Å; H269-K325 WeakPolarHBondContact CD2-CE 3.18Å; H269-K325 WeakPolarHBondContact NE2-CE 3.3Å
326L94.1Very high94.4Very high10 Ų1056.3 Ų56.35%0.05230%0.299CS..PPolyproline II helixtrans-82.2157.3-179.8-59.1179.1000112.2I266 H269 L296 I320 P322 K324I266-L326 HydrophobicContact CD1-CB 4.25Å; I266-L326 HydrophobicContact CD1-CD1 3.99Å; I266-L326 HydrophobicContact CG1-CD1 4.43Å; I266-L326 HydrophobicContact CG2-CB 4.25Å; I266-L326 HydrophobicContact CG2-CD1 4.04Å; H269-L326 PolarHBondContact CD2-O 3.27Å; H269-L326 VanDerWaalsContact CD2-O 3.28Å; L296-L326 HydrophobicContact CD1-CD2 3.69Å; I320-L326 HydrophobicContact CD1-CD1 3.92Å; I320-L326 HydrophobicContact CG1-CD1 4.49Å; P322-L326 HydrophobicContact CB-CD1 3.91Å; P322-L326 HydrophobicContact CB-CD2 3.81Å; P322-L326 HydrophobicContact CB-CG 3.82Å; P322-L326 HydrophobicContact CG-CD1 3.79Å; P322-L326 HydrophobicContact CG-CD2 4.46Å; P322-L326 HydrophobicContact CG-CG 3.91Å; K324-L326 HydrophobicContact CG-CD2 4.44Å; K324-L326 PolarHBondContact O-N 3.11Å
327H94.5Very high94.3Very high124 Ų12457 Ų5757%0.57430%0.302SS*.PPolyproline II helixtrans-69.6152.7160-60.7102.5000109.8P239 A240 I266P239-H327 HydrophobicContact CB-CB 4.12Å; P239-H327 WeakPolarHBondContact CB-ND1 3.36Å; A240-H327 HydrophobicContact CB-CB 4.01Å; I266-H327 WeakPolarHBondContact CB-O 3.29Å; I266-H327 WeakPolarHBondContact CG2-O 3.08Å
328V97.3Very high94.1Very high48 Ų4864.7 Ų64.729%0.29133%0.331SS..  trans-139.4152.4-177-56.10000110I266 T268 H269I266-V328 HydrophobicContact CG2-CG1 4.13Å; I266-V328 VanDerWaalsContact O-CA 3.3Å; I266-V328 WeakPolarHBondContact O-CA 3.46Å; T268-V328 VanDerWaalsContact C-CG1 3.44Å; H269-V328 HydrophobicContact CB-CG1 4.47Å
329L97.4Very high93.9Very high14 Ų1469.2 Ų69.27%0.07336%0.361CS..PPolyproline II helixtrans-103.8143.9167-54-177.9000110.6I237 A240 F265 I266 P395 V403I237-L329 HydrophobicContact CB-CD1 4.5Å; I237-L329 HydrophobicContact CB-CD2 3.84Å; I237-L329 HydrophobicContact CG2-CD2 3.9Å; A240-L329 HydrophobicContact CB-CD2 3.76Å; A240-L329 HydrophobicContact CB-CG 3.77Å; F265-L329 HydrophobicContact CB-CD1 3.99Å; F265-L329 HydrophobicContact CD2-CD1 4.37Å; F265-L329 HydrophobicContact CG-CD1 4.42Å; I266-L329 PolarHBondContact O-N 3.38Å; L329-P395 HydrophobicContact CD1-CB 4.19Å; L329-P395 HydrophobicContact CD1-CG 3.83Å; L329-V403 HydrophobicContact CB-CG2 3.63Å; L329-V403 HydrophobicContact CD1-CG2 3.54Å; L329-V403 HydrophobicContact CG-CG2 4.23Å
330S96.8Very high93.7Very high61 Ų6168.5 Ų68.543%0.42737%0.37SS..PPolyproline II helixtrans-75.815316443.40000110.4V403S330-V403 PolarHBondContact O-N 3.24Å
331L96.6Very high93.7Very high45 Ų4570.3 Ų70.324%0.23638%0.378CS..BIsolated β-bridgetrans-89.7128.4162.6-56.3-175.1000107.8F265 V267 V403 I424 S425 L428F265-L331 HydrophobicContact CE2-CD2 4Å; V267-L331 HydrophobicContact CG1-CD2 4.43Å; L331-V403 WeakPolarHBondContact CA-O 3.25Å; L331-V403 HydrophobicContact CD2-CB 3.83Å; L331-V403 HydrophobicContact CD2-CG1 4.14Å; L331-I424 HydrophobicContact CD1-CB 4.08Å; L331-I424 HydrophobicContact CD1-CG2 4Å; L331-I424 HydrophobicContact CD2-CD1 4.44Å; L331-S425 VanDerWaalsContact CD1-OG 3.31Å; L331-S425 WeakPolarHBondContact CD1-OG 3.49Å; L331-L428 HydrophobicContact CD1-CD1 3.76Å
332G95.4Very high93.9Very high7 Ų769.3 Ų69.37%0.07237%0.369CS..  trans-85.5176.3168.800000111.2V403 S421G332-V403 PolarHBondContact N-O 2.9Å; G332-S421 WeakPolarHBondContact O-CB 3.42Å; G332-S421 PolarHBondContact O-OG 2.94Å
333S94.7Very high94.1Very high45 Ų4568 Ų6832%0.31536%0.36SS..  trans-79.8126.8170.7176.80000110.2D336S333-D336 WeakPolarHBondContact CB-OD2 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.34Å
334S92.6Very high94.4Very high8 Ų859.4 Ų59.46%0.05632%0.32CS..SBendtrans-87.3-18.9173.851.10000112.7D336 L337 P420 S421 D422S334-D336 VanDerWaalsContact C-N 3.31Å; S334-D336 PolarHBondContact O-N 3.19Å; S334-L337 WeakPolarHBondContact O-CG 3.05Å; S334-P420 VanDerWaalsContact OG-CB 3.22Å; S334-P420 WeakPolarHBondContact OG-CB 3.22Å; S334-S421 VanDerWaalsContact CB-OG 3.29Å; S334-S421 WeakPolarHBondContact CB-OG 3.45Å; S334-S421 PolarHBondContact N-OG 3.36Å; S334-S421 PolarHBondContact OG-N 3.07Å; S334-S421 PolarHBondContact OG-OG 3.39Å; S334-D422 WeakPolarHBondContact CA-OD2 3.46Å; S334-D422 WeakPolarHBondContact CB-OD2 3.19Å; S334-D422 PolarHBondContact N-OD2 3.02Å; S334-D422 WeakPolarHBondContact OG-CB 3.41Å; S334-D422 PolarHBondContact OG-N 3.18Å; S334-D422 PolarHBondContact OG-OD2 2.81Å
335A90.5Very high94.7Very high63 Ų6355.4 Ų55.452%0.52130%0.302SS..THydrogen-bonded Turntrans-67.3-28.4174.300000113.5D422A335-D422 PolarHBondContact N-OD2 2.92Å
336D92.1Very high95Very high126 Ų12647.7 Ų47.767%0.67427%0.269SS*.THydrogen-bonded Turntrans-88.20.7-177.7-63-61000113.9S333 S334S333-D336 WeakPolarHBondContact CB-OD2 3.21Å; S333-D336 PolarHBondContact OG-OD2 3.34Å; S334-D336 VanDerWaalsContact C-N 3.31Å; S334-D336 PolarHBondContact O-N 3.19Å
337L92.9Very high95Very high14 Ų1447.2 Ų47.27%0.07327%0.266CS..  trans-64.7133.5-178.9-73174.3000112.9S334 V361 A364 I381 I404S334-L337 WeakPolarHBondContact O-CG 3.05Å; L337-V361 HydrophobicContact CD2-CG2 4.35Å; L337-A364 HydrophobicContact CB-CB 3.8Å; L337-I381 HydrophobicContact CD1-CD1 3.46Å; L337-I381 VanDerWaalsContact CD1-CD1 3.46Å; L337-I381 HydrophobicContact CD1-CG1 3.83Å; L337-I381 HydrophobicContact CD1-CG2 4.41Å; L337-I404 HydrophobicContact CD1-CB 4.24Å; L337-I404 HydrophobicContact CD1-CD1 4.05Å; L337-I404 HydrophobicContact CD2-CB 4.11Å; L337-I404 HydrophobicContact CD2-CD1 3.63Å; L337-I404 HydrophobicContact CD2-CG1 4.49Å; L337-I404 HydrophobicContact CD2-CG2 3.94Å
338R92.4Very high94.8Very high163 Ų16341.4 Ų41.462%0.61524%0.24SC*.  trans-105.4136.6177.5-64.3169.4-61.9154.48.4111.4G340 E341R338-G340 PolarHBondContact O-N 2.97Å; R338-E341 IonicContact CZ-OE2 3.83Å; R338-E341 IonicContact NE-OE2 2.63Å; R338-E341 PolarHBondContact NE-OE2 2.94Å; R338-E341 IonicContact NH2-OE2 2.69Å; R338-E341 PolarHBondContact NH2-OE2 3.42Å; R338-E341 WeakPolarHBondContact O-CB 3.3Å; R338-E341 PolarHBondContact O-N 2.85Å
339P92.6Very high93.6Very high96 Ų9640.1 Ų40.162%0.62323%0.232SC*.THydrogen-bonded Turntrans-53.1134.4166.5-26.435.9000111.3V361P339-V361 CarbonylContact C-O 3.21Å; P339-V361 WeakPolarHBondContact CA-O 3.21Å
340G92Very high92.4Very high43 Ų4345.1 Ų45.144%0.44325%0.254SS..THydrogen-bonded Turntrans87.4-3.1-173.600000115.4R338 V361R338-G340 PolarHBondContact O-N 2.97Å; G340-V361 PolarHBondContact N-O 3.07Å
341E96.7Very high90.8Very high38 Ų3843.9 Ų43.918%0.17825%0.247CC..  trans-71.3132.3175.8-170.6161.8132.400111.7R338 I360 V361R338-E341 IonicContact CZ-OE2 3.83Å; R338-E341 IonicContact NE-OE2 2.63Å; R338-E341 PolarHBondContact NE-OE2 2.94Å; R338-E341 IonicContact NH2-OE2 2.69Å; R338-E341 PolarHBondContact NH2-OE2 3.42Å; R338-E341 WeakPolarHBondContact O-CB 3.3Å; R338-E341 PolarHBondContact O-N 2.85Å; E341-I360 CarbonylContact O-C 3.4Å; E341-I360 WeakPolarHBondContact O-CA 3.45Å; E341-V361 HydrophobicContact CB-CG2 4.47Å; E341-V361 PolarHBondContact O-N 2.84Å
342F97.9Very high89.2Confident96 Ų9647.4 Ų47.442%0.42127%0.266SS..EExtended strand (participates in β ladder)trans-69.6134-179.5-80.5-73.5000112.3F229 G359 I360 L399F229-F342 HydrophobicContact CE2-CB 4.46Å; F229-F342 HydrophobicContact CE2-CD2 4.18Å; F229-F342 HydrophobicContact CE2-CG 4.15Å; F229-F342 HydrophobicContact CZ-CD2 4.24Å; F229-F342 HydrophobicContact CZ-CE2 4.2Å; F229-F342 HydrophobicContact CZ-CZ 4.46Å; F342-G359 WeakPolarHBondContact CA-O 3.44Å; F342-I360 HydrophobicContact CD1-CG2 3.95Å; F342-I360 HydrophobicContact CE1-CG2 4.13Å; F342-I360 HydrophobicContact CG-CG2 4.39Å; F342-L399 HydrophobicContact CB-CD1 4.07Å; F342-L399 HydrophobicContact CB-CD2 3.79Å; F342-L399 HydrophobicContact CB-CG 3.99Å
343V97.9Very high88.2Confident0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-134.6148.2-177.7-63.10000112.2T358 G359 V361 T383 A385 L396 V397 I404V343-T358 WeakPolarHBondContact O-CA 3.5Å; V343-T358 PolarHBondContact O-OG1 2.88Å; V343-G359 PolarHBondContact N-O 3.22Å; V343-G359 PolarHBondContact O-N 2.9Å; V343-V361 HydrophobicContact CG1-CG2 3.63Å; V343-T383 WeakPolarHBondContact CG2-OG1 3.35Å; V343-A385 HydrophobicContact CG2-CB 4.47Å; V343-L396 HydrophobicContact CB-CD1 3.92Å; V343-L396 HydrophobicContact CB-CG 4.2Å; V343-L396 HydrophobicContact CG2-CD1 3.91Å; V343-V397 VanDerWaalsContact CA-O 3.26Å; V343-V397 WeakPolarHBondContact CA-O 3.27Å; V343-I404 HydrophobicContact CB-CD1 4.39Å; V343-I404 HydrophobicContact CG1-CD1 3.47Å; V343-I404 VanDerWaalsContact CG1-CD1 3.47Å
344V97.9Very high87.6Confident0 Ų052.9 Ų52.90%029%0.286CS..EExtended strand (participates in β ladder)trans-117.4119.3177.5-177.40000109.6I230 V233 V234 I346 V356 V397I230-V344 HydrophobicContact CD1-CG2 3.84Å; I230-V344 HydrophobicContact CG2-CG2 4.03Å; V233-V344 HydrophobicContact CG1-CB 4.4Å; V233-V344 HydrophobicContact CG1-CG2 4.02Å; V234-V344 HydrophobicContact CG2-CG1 4.05Å; V344-I346 HydrophobicContact CG1-CB 4.5Å; V344-V356 HydrophobicContact CG1-CG1 3.77Å; V344-V397 HydrophobicContact CB-CG2 3.85Å; V344-V397 PolarHBondContact N-O 3.2Å; V344-V397 PolarHBondContact O-N 2.97Å
345A96.2Very high87.4Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-98.3100.2174.400000109.1T357 A385 I387 N391 L396 N407A345-T357 PolarHBondContact N-O 3.44Å; A345-T357 PolarHBondContact O-N 2.74Å; A345-T357 PolarHBondContact O-OG1 3.24Å; A345-A385 HydrophobicContact CB-CB 4.19Å; A345-I387 HydrophobicContact CB-CG1 4.45Å; A345-N391 PolarHBondContact O-ND2 3.22Å; A345-N391 VanDerWaalsContact O-ND2 3.14Å; A345-L396 HydrophobicContact CB-CD1 3.81Å; A345-N407 WeakPolarHBondContact CB-OD1 3.4Å
346I95.9Very high87.6Confident0 Ų053.8 Ų53.80%029%0.285CS..EExtended strand (participates in β ladder)trans-108.9148.6-175.3-170.1166.2000111.9V234 I237 A238 V241 V344 T355 V356 P395 N407V234-I346 HydrophobicContact CG1-CD1 4.32Å; I237-I346 HydrophobicContact CD1-CB 4.31Å; I237-I346 HydrophobicContact CD1-CD1 4.12Å; I237-I346 HydrophobicContact CD1-CG2 3.66Å; I237-I346 HydrophobicContact CG1-CD1 3.97Å; I237-I346 HydrophobicContact CG1-CG2 4.21Å; A238-I346 HydrophobicContact CB-CD1 4.24Å; V241-I346 HydrophobicContact CG2-CD1 4.26Å; V241-I346 HydrophobicContact CG2-CG1 4.26Å; V241-I346 HydrophobicContact CG2-CG2 3.7Å; V344-I346 HydrophobicContact CG1-CB 4.5Å; I346-T355 WeakPolarHBondContact CA-O 3.42Å; I346-V356 HydrophobicContact CD1-CG2 3.89Å; I346-V356 HydrophobicContact CG1-CG2 3.98Å; I346-P395 HydrophobicContact CG2-CG 3.69Å; I346-P395 PolarHBondContact N-O 3.31Å; I346-P395 WeakPolarHBondContact O-CD 3.47Å; I346-N407 PolarHBondContact O-ND2 3.38Å
347G93.8Very high87.7Confident0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-160.9178.8170.300000112.4S263 N354 T355S263-G347 WeakPolarHBondContact OG-CA 3.15Å; G347-N354 CarbonylContact O-C 3.43Å; G347-N354 WeakPolarHBondContact O-CA 3.28Å; G347-T355 PolarHBondContact N-O 2.9Å; G347-T355 PolarHBondContact O-N 3.18Å
348S90.6Very high87.8Confident3 Ų351.8 Ų51.82%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-123.890.1176.7-173.30000108.9H243 S263 F350 Q353H243-S348 WeakPolarHBondContact CB-O 3.4Å; H243-S348 PolarHBondContact ND1-O 3.2Å; S263-S348 PolarHBondContact OG-N 2.93Å; S348-F350 PolarHBondContact O-N 2.96Å; S348-F350 PolarHBondContact OG-O 2.87Å; S348-Q353 WeakPolarHBondContact CA-O 3.48Å; S348-Q353 PolarHBondContact OG-O 2.98Å
349P72.1Confident88Confident20 Ų2044.3 Ų44.313%0.1325%0.252CS..EExtended strand (participates in β ladder)trans-59.6-30175.224.2-38.2000113.3H243 Q353 T355H243-P349 PolarHBondContact CE1-O 3.17Å; H243-P349 PolarHBondContact ND1-O 2.76Å; P349-Q353 VanDerWaalsContact CD-O 3.31Å; P349-Q353 WeakPolarHBondContact CD-O 3.41Å; P349-T355 WeakPolarHBondContact CD-OG1 3.39Å; P349-T355 WeakPolarHBondContact CG-OG1 3.34Å
350F73.8Confident88.1Confident119 Ų11942.5 Ų42.552%0.52224%0.236SC..EExtended strand (participates in β ladder)trans-142.9153.7-179.2-53.7-64.8000108.7S348 L352 Q353S348-F350 PolarHBondContact O-N 2.96Å; S348-F350 PolarHBondContact OG-O 2.87Å; F350-L352 PolarHBondContact O-N 3.33Å; F350-Q353 HydrophobicContact CB-CB 4.47Å; F350-Q353 PolarHBondContact O-N 3.21Å; F350-Q353 VanDerWaalsContact O-N 3.12Å; F350-Q353 VanDerWaalsContact O-O 3.09Å
351A61.4Low88.2Confident35 Ų3540.5 Ų40.529%0.28922%0.215SC..THydrogen-bonded Turntrans-49.7136.3169.300000111.3Q295 Q353Q295-A351 HydrophobicContact CB-CB 4.44Å; A351-Q353 PolarHBondContact O-N 3.02Å; A351-Q353 VanDerWaalsContact O-N 3.16Å
352L63.1Low87.8Confident120 Ų12040.7 Ų40.763%0.62822%0.221SC*.THydrogen-bonded Turntrans63.67.3-179.7-47.3175.3000116.1H297 F350H297-L352 WeakPolarHBondContact O-CD2 3.38Å; F350-L352 PolarHBondContact O-N 3.33Å
353Q75.3Confident87.1Confident120 Ų12038.4 Ų38.456%0.56121%0.214SC*.EExtended strand (participates in β ladder)trans-126.9118.9174.4-67.3-170.1-10.400111.1S348 P349 F350 A351S348-Q353 WeakPolarHBondContact CA-O 3.48Å; S348-Q353 PolarHBondContact OG-O 2.98Å; P349-Q353 VanDerWaalsContact CD-O 3.31Å; P349-Q353 WeakPolarHBondContact CD-O 3.41Å; F350-Q353 HydrophobicContact CB-CB 4.47Å; F350-Q353 PolarHBondContact O-N 3.21Å; F350-Q353 VanDerWaalsContact O-N 3.12Å; F350-Q353 VanDerWaalsContact O-O 3.09Å; A351-Q353 PolarHBondContact O-N 3.02Å; A351-Q353 VanDerWaalsContact O-N 3.16Å
354N82Confident85.9Confident46 Ų4639.1 Ų39.125%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-95.1129.1173.7-7223.9000110.3A238 G347A238-N354 WeakPolarHBondContact CB-ND2 3.29Å; G347-N354 CarbonylContact O-C 3.43Å; G347-N354 WeakPolarHBondContact O-CA 3.28Å
355T88.2Confident84.7Confident35 Ų3545.4 Ų45.422%0.21525%0.25CC..EExtended strand (participates in β ladder)trans-87.1122.9161.6-71.80000108.1I346 G347 P349 T357I346-T355 WeakPolarHBondContact CA-O 3.42Å; G347-T355 PolarHBondContact N-O 2.9Å; G347-T355 PolarHBondContact O-N 3.18Å; P349-T355 WeakPolarHBondContact CD-OG1 3.39Å; P349-T355 WeakPolarHBondContact CG-OG1 3.34Å; T355-T357 HydrophobicContact CG2-CG2 4.39Å
356V94.3Very high83.4Confident56 Ų5648.9 Ų48.934%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-117.2127.5173.9178.30000107.6V234 V344 I346V234-V356 HydrophobicContact CG1-CG2 3.92Å; V234-V356 HydrophobicContact CG2-CB 4.39Å; V234-V356 HydrophobicContact CG2-CG1 3.56Å; V234-V356 HydrophobicContact CG2-CG2 3.88Å; V344-V356 HydrophobicContact CG1-CG1 3.77Å; I346-V356 HydrophobicContact CD1-CG2 3.89Å; I346-V356 HydrophobicContact CG1-CG2 3.98Å
357T94.4Very high82.2Confident27 Ų2751.4 Ų51.417%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-126.2152.3163.661.50000108.9A345 T355 I386 N391A345-T357 PolarHBondContact N-O 3.44Å; A345-T357 PolarHBondContact O-N 2.74Å; A345-T357 PolarHBondContact O-OG1 3.24Å; T355-T357 HydrophobicContact CG2-CG2 4.39Å; T357-I386 WeakPolarHBondContact CB-O 3.41Å; T357-I386 HydrophobicContact CG2-CB 4.09Å; T357-I386 WeakPolarHBondContact CG2-O 3.34Å; T357-I386 PolarHBondContact OG1-N 3.11Å; T357-I386 PolarHBondContact OG1-O 2.74Å; T357-N391 PolarHBondContact OG1-ND2 3.16Å
358T96.3Very high80.7Confident70 Ų7051.4 Ų51.443%0.42928%0.276SS..EExtended strand (participates in β ladder)trans-127.7151.9-178.9-171.10000108.9I230 V343I230-T358 WeakPolarHBondContact CD1-OG1 3.44Å; V343-T358 WeakPolarHBondContact O-CA 3.5Å; V343-T358 PolarHBondContact O-OG1 2.88Å
359G95.6Very high79.3Confident7 Ų756.4 Ų56.47%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-167.3-156.1176.200000110.3F342 V343 D384F342-G359 WeakPolarHBondContact CA-O 3.44Å; V343-G359 PolarHBondContact N-O 3.22Å; V343-G359 PolarHBondContact O-N 2.9Å; G359-D384 WeakPolarHBondContact CA-OD1 3.03Å
360I95.8Very high78.8Confident58 Ų5861.3 Ų61.330%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-124.4158.3173.655.2168.5000111.2E341 F342 S362 T383 D384E341-I360 CarbonylContact O-C 3.4Å; E341-I360 WeakPolarHBondContact O-CA 3.45Å; F342-I360 HydrophobicContact CD1-CG2 3.95Å; F342-I360 HydrophobicContact CE1-CG2 4.13Å; F342-I360 HydrophobicContact CG-CG2 4.39Å; I360-S362 PolarHBondContact O-N 2.04Å; I360-T383 WeakPolarHBondContact O-CA 3.18Å; I360-T383 VanDerWaalsContact O-CB 3.28Å; I360-T383 WeakPolarHBondContact O-CB 3.39Å; I360-T383 PolarHBondContact O-OG1 3.45Å; I360-D384 PolarHBondContact N-OD1 2.89Å
361V93.9Very high78.2Confident0 Ų057.9 Ų57.90%031%0.306CS..EExtended strand (participates in β ladder)trans-66.4117.1162.3178.80000108.2L337 P339 G340 E341 V343 A364 I381L337-V361 HydrophobicContact CD2-CG2 4.35Å; P339-V361 CarbonylContact C-O 3.21Å; P339-V361 WeakPolarHBondContact CA-O 3.21Å; G340-V361 PolarHBondContact N-O 3.07Å; E341-V361 HydrophobicContact CB-CG2 4.47Å; E341-V361 PolarHBondContact O-N 2.84Å; V343-V361 HydrophobicContact CG1-CG2 3.63Å; V361-A364 HydrophobicContact CG1-CB 4.44Å; V361-I381 HydrophobicContact CG1-CG2 4.34Å; V361-I381 HydrophobicContact CG2-CG2 4.43Å
362S87.3Confident77.9Confident42 Ų4259.2 Ų59.229%0.29432%0.323SS..EExtended strand (participates in β ladder)trans-76.9-46.1169.4-41.40000110.4I360 Q382I360-S362 PolarHBondContact O-N 2.04Å; S362-Q382 PolarHBondContact N-O 3.4Å
363T83.6Confident77.8Confident48 Ų4856.3 Ų56.329%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-150.3129.4-176.9-47.60000108.7Q365 Q382T363-Q365 WeakPolarHBondContact CG2-O 3.05Å; T363-Q382 PolarHBondContact N-O 3.07Å; T363-Q382 PolarHBondContact O-N 2.94Å
364A73.6Confident76.3Confident15 Ų1559.6 Ų59.612%0.12432%0.32CS..EExtended strand (participates in β ladder)trans-77.6-28.1179.100000113.5L337 V361L337-A364 HydrophobicContact CB-CB 3.8Å; V361-A364 HydrophobicContact CG1-CB 4.44Å
365Q71.9Confident74.9Confident133 Ų13364 Ų6462%0.62134%0.343SS*.EExtended strand (participates in β ladder)trans-132.9101.5-175.6-66.3169.37.200109.3T363T363-Q365 WeakPolarHBondContact CG2-O 3.05Å
366R68.8Low73.4Confident73 Ų7362.6 Ų62.628%0.27534%0.335SS..EExtended strand (participates in β ladder)trans-122109176-169.179-176.6134.914.3109.1G368 E370 L371 D379 Y380 F417R366-G368 PolarHBondContact O-N 3.2Å; R366-E370 IonicContact CZ-OE2 2.73Å; R366-E370 IonicContact NH1-OE2 2.63Å; R366-E370 PolarHBondContact NH1-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 2.65Å; R366-E370 PolarHBondContact NH2-OE2 2.89Å; R366-L371 HydrophobicContact CG-CD1 4.46Å; R366-L371 HydrophobicContact CG-CD2 3.95Å; R366-L371 HydrophobicContact CG-CG 4.33Å; R366-D379 WeakPolarHBondContact O-CA 3.43Å; R366-Y380 WeakPolarHBondContact CB-O 3.03Å; R366-Y380 PolarHBondContact N-O 2.93Å; R366-Y380 PolarHBondContact O-N 2.65Å; R366-F417 HydrophobicContact CG-CE1 4.19Å
367D69.9Low72Confident52 Ų5264.7 Ų64.728%0.27834%0.344SS..EExtended strand (participates in β ladder)trans-59.1124.7178-175.2-18.5000110K369 E370D367-K369 PolarHBondContact O-N 2.88Å; D367-K369 VanDerWaalsContact O-N 3.13Å; D367-K369 WeakPolarHBondContact OD1-CB 3.34Å; D367-K369 WeakPolarHBondContact OD1-CG 3.47Å; D367-K369 PolarHBondContact OD1-N 2.96Å; D367-E370 WeakPolarHBondContact O-CB 3.27Å; D367-E370 PolarHBondContact O-N 3.16Å
368G62.9Low70.9Confident0 Ų063.8 Ų63.80%034%0.338CS..G310 helixtrans-57.9-21.3177.400000114.6R366 E370 L371 G372 I373 S376 M378R366-G368 PolarHBondContact O-N 3.2Å; G368-E370 VanDerWaalsContact C-N 3.32Å; G368-E370 PolarHBondContact O-N 2.9Å; G368-L371 CarbonylContact O-C 3.6Å; G368-L371 WeakPolarHBondContact O-CA 3.19Å; G368-L371 WeakPolarHBondContact O-CB 3.19Å; G368-L371 PolarHBondContact O-N 2.89Å; G368-G372 PolarHBondContact O-N 3.34Å; G368-I373 WeakPolarHBondContact O-CB 3.27Å; G368-I373 PolarHBondContact O-N 2.99Å; G368-S376 VanDerWaalsContact CA-OG 3.29Å; G368-S376 WeakPolarHBondContact CA-OG 3.15Å; G368-M378 PolarHBondContact N-O 2.95Å
369K62.3Low70.2Confident108 Ų10864.4 Ų64.447%0.4734%0.339SS..G310 helixtrans-63.2-37.7171.1-68.6160.9-172.7148.30111.9D367 L371 G372 S376 D377D367-K369 PolarHBondContact O-N 2.88Å; D367-K369 VanDerWaalsContact O-N 3.13Å; D367-K369 WeakPolarHBondContact OD1-CB 3.34Å; D367-K369 WeakPolarHBondContact OD1-CG 3.47Å; D367-K369 PolarHBondContact OD1-N 2.96Å; K369-L371 PolarHBondContact O-N 2.89Å; K369-G372 PolarHBondContact O-N 2.86Å; K369-G372 VanDerWaalsContact O-N 3.13Å; K369-S376 VanDerWaalsContact CE-O 3.26Å; K369-S376 WeakPolarHBondContact CE-O 3.41Å; K369-D377 WeakPolarHBondContact CE-OD1 2.98Å; K369-D377 IonicContact NZ-OD1 2.65Å; K369-D377 PolarHBondContact NZ-OD1 2.66Å
370E61.4Low69.7Low124 Ų12465 Ų6558%0.57934%0.339SS*.G310 helixtrans-72.5-9.6173.2-62.4-165.6-15700113.1R366 D367 G368R366-E370 IonicContact CZ-OE2 2.73Å; R366-E370 IonicContact NH1-OE2 2.63Å; R366-E370 PolarHBondContact NH1-OE2 2.93Å; R366-E370 IonicContact NH2-OE2 2.65Å; R366-E370 PolarHBondContact NH2-OE2 2.89Å; D367-E370 WeakPolarHBondContact O-CB 3.27Å; D367-E370 PolarHBondContact O-N 3.16Å; G368-E370 VanDerWaalsContact C-N 3.32Å; G368-E370 PolarHBondContact O-N 2.9Å
371L60.6Low69.4Low46 Ų4662.3 Ų62.324%0.24133%0.325CS..G310 helixtrans-963.8172.3-52.3-178.3000112.4R366 G368 K369 I373 Y380 F417R366-L371 HydrophobicContact CG-CD1 4.46Å; R366-L371 HydrophobicContact CG-CD2 3.95Å; R366-L371 HydrophobicContact CG-CG 4.33Å; G368-L371 CarbonylContact O-C 3.6Å; G368-L371 WeakPolarHBondContact O-CA 3.19Å; G368-L371 WeakPolarHBondContact O-CB 3.19Å; G368-L371 PolarHBondContact O-N 2.89Å; K369-L371 PolarHBondContact O-N 2.89Å; L371-I373 HydrophobicContact CB-CD1 4.09Å; L371-I373 HydrophobicContact CB-CG1 4.08Å; L371-I373 HydrophobicContact CD1-CD1 4.33Å; L371-I373 PolarHBondContact O-N 2.98Å; L371-Y380 HydrophobicContact CD1-CD2 4.11Å; L371-F417 HydrophobicContact CD1-CD1 3.84Å; L371-F417 HydrophobicContact CD1-CD2 4.18Å; L371-F417 HydrophobicContact CD1-CE1 3.58Å; L371-F417 HydrophobicContact CD1-CE2 3.93Å; L371-F417 HydrophobicContact CD1-CG 4.14Å; L371-F417 HydrophobicContact CD1-CZ 3.63Å; L371-F417 HydrophobicContact CD2-CE1 3.86Å; L371-F417 HydrophobicContact CD2-CE2 4.06Å; L371-F417 HydrophobicContact CD2-CZ 3.37Å; L371-F417 HydrophobicContact CG-CE1 4.38Å; L371-F417 HydrophobicContact CG-CZ 4.15Å
372G55.1Low69.2Low63 Ų6363.8 Ų63.865%0.64933%0.332SS*.THydrogen-bonded Turntrans73.78.1-176.700000114.4G368 K369 K374G368-G372 PolarHBondContact O-N 3.34Å; K369-G372 PolarHBondContact O-N 2.86Å; K369-G372 VanDerWaalsContact O-N 3.13Å; G372-K374 PolarHBondContact O-N 2.03Å; G372-K374 VanDerWaalsContact O-N 3.13Å
373I60.2Low69.4Low59 Ų5961.8 Ų61.830%0.30332%0.318SS..  trans-78.599.7179.4-54.4171.9000108.3G368 L371 S376 Y380G368-I373 WeakPolarHBondContact O-CB 3.27Å; G368-I373 PolarHBondContact O-N 2.99Å; L371-I373 HydrophobicContact CB-CD1 4.09Å; L371-I373 HydrophobicContact CB-CG1 4.08Å; L371-I373 HydrophobicContact CD1-CD1 4.33Å; L371-I373 PolarHBondContact O-N 2.98Å; I373-S376 WeakPolarHBondContact CB-OG 3.05Å; I373-S376 PolarHBondContact O-N 3.46Å; I373-S376 PolarHBondContact O-OG 3.34Å; I373-Y380 HydrophobicContact CD1-CE2 4.17Å
374K43.6Very low69.7Low189 Ų18962.8 Ų62.882%0.82232%0.322SS*.THydrogen-bonded Turntrans-57.4142.3175-66-175178.2-177.80110.6G372 S376G372-K374 PolarHBondContact O-N 2.03Å; G372-K374 VanDerWaalsContact O-N 3.13Å; K374-S376 PolarHBondContact O-N 3.2Å; K374-S376 VanDerWaalsContact O-N 3.17Å
375D52.4Low70.6Confident139 Ų13962.1 Ų62.174%0.74332%0.316SS*.THydrogen-bonded Turntrans61.713.1179-48.8-38.6000116.5K312 D377K312-D375 WeakPolarHBondContact CE-O 3.43Å; K312-D375 PolarHBondContact NZ-O 2.91Å; D375-D377 PolarHBondContact O-N 3.37Å
376S57.2Low71.4Confident5 Ų560 Ų604%0.03531%0.309CS..  trans-84.9108.5170.764.80000111.8G368 K369 I373 K374 M378G368-S376 VanDerWaalsContact CA-OG 3.29Å; G368-S376 WeakPolarHBondContact CA-OG 3.15Å; K369-S376 VanDerWaalsContact CE-O 3.26Å; K369-S376 WeakPolarHBondContact CE-O 3.41Å; I373-S376 WeakPolarHBondContact CB-OG 3.05Å; I373-S376 PolarHBondContact O-N 3.46Å; I373-S376 PolarHBondContact O-OG 3.34Å; K374-S376 PolarHBondContact O-N 3.2Å; K374-S376 VanDerWaalsContact O-N 3.17Å; S376-M378 VanDerWaalsContact C-N 3.26Å; S376-M378 PolarHBondContact O-N 3.48Å
377D65.1Low72.2Confident101 Ų10156.7 Ų56.754%0.5430%0.296SS..  trans-98.255.5164.2-51.7-71.5000108.1K312 K369 D375K312-D377 IonicContact NZ-OD2 3.46Å; K312-D377 PolarHBondContact NZ-OD2 2.82Å; K369-D377 WeakPolarHBondContact CE-OD1 2.98Å; K369-D377 IonicContact NZ-OD1 2.65Å; K369-D377 PolarHBondContact NZ-OD1 2.66Å; D375-D377 PolarHBondContact O-N 3.37Å
378M71.9Confident72.8Confident8 Ų857.6 Ų57.64%0.03930%0.301CS..  trans-139.9123.6-165.4-75.9-85-59.500109.4A313 G368 S376 Y380 I419 R423A313-M378 HydrophobicContact CB-CE 3.75Å; A313-M378 HydrophobicContact CB-SD 4.01Å; G368-M378 PolarHBondContact N-O 2.95Å; S376-M378 VanDerWaalsContact C-N 3.26Å; S376-M378 PolarHBondContact O-N 3.48Å; M378-Y380 HydrophobicContact CB-CE2 3.95Å; M378-Y380 WeakPolarHBondContact O-CD2 3.35Å; M378-Y380 WeakPolarHBondContact O-CE2 3.47Å; M378-I419 HydrophobicContact CE-CG2 4.38Å; M378-R423 HydrophobicContact CE-CG 4.15Å; M378-R423 HydrophobicContact SD-CG 4.31Å
379D81.3Confident73.6Confident82 Ų8267.7 Ų67.744%0.43934%0.341SS..EExtended strand (participates in β ladder)trans-80.7143.6167.1-55.2-66.3000110.6R366 P420R366-D379 WeakPolarHBondContact O-CA 3.43Å; D379-P420 WeakPolarHBondContact O-CD 3.37Å; D379-P420 VanDerWaalsContact O-CG 3.29Å; D379-P420 WeakPolarHBondContact O-CG 3.31Å
380Y85.8Confident74.5Confident21 Ų2163 Ų638%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-119.4146.7174.4-63.6-89.3000111R366 L371 I373 M378 F417 I419R366-Y380 WeakPolarHBondContact CB-O 3.03Å; R366-Y380 PolarHBondContact N-O 2.93Å; R366-Y380 PolarHBondContact O-N 2.65Å; L371-Y380 HydrophobicContact CD1-CD2 4.11Å; I373-Y380 HydrophobicContact CD1-CE2 4.17Å; M378-Y380 HydrophobicContact CB-CE2 3.95Å; M378-Y380 WeakPolarHBondContact O-CD2 3.35Å; M378-Y380 WeakPolarHBondContact O-CE2 3.47Å; Y380-F417 HydrophobicContact CD1-CB 4.49Å; Y380-I419 HydrophobicContact CE1-CG1 4.25Å
381I89.4Confident75.9Confident0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-76125.8164.7-62.6162.4000107.1L337 V361 L396 I404 F417 A418 P420L337-I381 HydrophobicContact CD1-CD1 3.46Å; L337-I381 VanDerWaalsContact CD1-CD1 3.46Å; L337-I381 HydrophobicContact CD1-CG1 3.83Å; L337-I381 HydrophobicContact CD1-CG2 4.41Å; V361-I381 HydrophobicContact CG1-CG2 4.34Å; V361-I381 HydrophobicContact CG2-CG2 4.43Å; I381-L396 HydrophobicContact CG2-CD2 4.03Å; I381-I404 WeakPolarHBondContact CD1-O 3.29Å; I381-F417 CarbonylContact O-C 3.54Å; I381-F417 WeakPolarHBondContact O-CA 3.44Å; I381-A418 HydrophobicContact CB-CB 4.39Å; I381-A418 PolarHBondContact N-O 3.24Å; I381-A418 PolarHBondContact O-N 3.31Å; I381-P420 HydrophobicContact CD1-CB 4.26Å; I381-P420 HydrophobicContact CG1-CB 4.39Å; I381-P420 HydrophobicContact CG1-CG 4.26Å
382Q88.8Confident77.2Confident31 Ų3155.1 Ų55.115%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-96134.6173.1-172.4-176-44.400110.2S362 T363 I415 F417S362-Q382 PolarHBondContact N-O 3.4Å; T363-Q382 PolarHBondContact N-O 3.07Å; T363-Q382 PolarHBondContact O-N 2.94Å; Q382-I415 HydrophobicContact CG-CG2 4.07Å; Q382-F417 HydrophobicContact CB-CD1 4.14Å; Q382-F417 HydrophobicContact CB-CE1 3.77Å; Q382-F417 HydrophobicContact CG-CD1 4.35Å; Q382-F417 HydrophobicContact CG-CE1 3.7Å; Q382-F417 HydrophobicContact CG-CZ 4.2Å
383T90.9Very high79.1Confident0 Ų052.1 Ų52.10%025%0.254CS..EExtended strand (participates in β ladder)trans-143.4153.4175.2-177.10000111.7V343 I360 A385 L396 S416V343-T383 WeakPolarHBondContact CG2-OG1 3.35Å; I360-T383 WeakPolarHBondContact O-CA 3.18Å; I360-T383 VanDerWaalsContact O-CB 3.28Å; I360-T383 WeakPolarHBondContact O-CB 3.39Å; I360-T383 PolarHBondContact O-OG1 3.45Å; T383-A385 VanDerWaalsContact C-N 3.34Å; T383-A385 HydrophobicContact CG2-CB 3.9Å; T383-A385 WeakPolarHBondContact OG1-CB 3.48Å; T383-A385 PolarHBondContact OG1-N 2.82Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; T383-L396 HydrophobicContact CG2-CD1 4.45Å; T383-S416 PolarHBondContact N-O 2.65Å; T383-S416 PolarHBondContact O-N 2.72Å
384D91Very high80.8Confident70 Ų7049.3 Ų49.337%0.37424%0.24SC..SBendtrans-82.6-11.3168.266.4-23.5000112.9G359 I360 I386 G414G359-D384 WeakPolarHBondContact CA-OD1 3.03Å; I360-D384 PolarHBondContact N-OD1 2.89Å; D384-I386 PolarHBondContact O-N 3.01Å; D384-G414 WeakPolarHBondContact CA-O 3.25Å
385A92.1Very high83.4Confident1 Ų140.3 Ų40.31%0.00820%0.201CC..SBendtrans-54126.6172.200000110V343 A345 T383 I387 S416V343-A385 HydrophobicContact CG2-CB 4.47Å; A345-A385 HydrophobicContact CB-CB 4.19Å; T383-A385 VanDerWaalsContact C-N 3.34Å; T383-A385 HydrophobicContact CG2-CB 3.9Å; T383-A385 WeakPolarHBondContact OG1-CB 3.48Å; T383-A385 PolarHBondContact OG1-N 2.82Å; T383-A385 VanDerWaalsContact OG1-N 3.08Å; A385-I387 PolarHBondContact O-N 2.85Å; A385-I387 VanDerWaalsContact O-N 3.14Å; A385-S416 VanDerWaalsContact O-CB 3.25Å; A385-S416 WeakPolarHBondContact O-CB 3.26Å; A385-S416 PolarHBondContact O-OG 3.46Å
386I89.3Confident85.5Confident89 Ų8933.7 Ų33.746%0.45617%0.165SC..  trans-74.7111.6-170.2-61.9172.9000110T357 D384 N391T357-I386 WeakPolarHBondContact CB-O 3.41Å; T357-I386 HydrophobicContact CG2-CB 4.09Å; T357-I386 WeakPolarHBondContact CG2-O 3.34Å; T357-I386 PolarHBondContact OG1-N 3.11Å; T357-I386 PolarHBondContact OG1-O 2.74Å; D384-I386 PolarHBondContact O-N 3.01Å; I386-N391 PolarHBondContact O-ND2 2.94Å
387I85.1Confident87.5Confident3 Ų333.5 Ų33.52%0.01516%0.164CC..  trans-91.6141170.8-63.7177.5000109.8A345 A385 N391 N407 K410 S416 F417A345-I387 HydrophobicContact CB-CG1 4.45Å; A385-I387 PolarHBondContact O-N 2.85Å; A385-I387 VanDerWaalsContact O-N 3.14Å; I387-N391 VanDerWaalsContact CA-OD1 3.32Å; I387-N391 WeakPolarHBondContact CA-OD1 3.09Å; I387-N407 HydrophobicContact CD1-CB 3.7Å; I387-N407 HydrophobicContact CG1-CB 4.1Å; I387-N407 HydrophobicContact CG2-CB 4.19Å; I387-K410 WeakPolarHBondContact O-CD 3.38Å; I387-S416 PolarHBondContact N-OG 3.3Å; I387-F417 VanDerWaalsContact CD1-O 3.27Å; I387-F417 WeakPolarHBondContact CD1-O 3.32Å
388N83.4Confident89Confident71 Ų7129.3 Ų29.338%0.3814%0.141SC..  trans-147.3177176.268.222.3000110.7G390 N391 S392N388-G390 PolarHBondContact O-N 2.65Å; N388-G390 VanDerWaalsContact OD1-CA 3.22Å; N388-G390 WeakPolarHBondContact OD1-CA 3.38Å; N388-G390 PolarHBondContact OD1-N 3.19Å; N388-N391 PolarHBondContact N-OD1 2.93Å; N388-N391 PolarHBondContact O-N 3.35Å; N388-N391 VanDerWaalsContact O-N 3.12Å; N388-N391 PolarHBondContact O-OD1 3.09Å; N388-N391 PolarHBondContact OD1-N 2.96Å; N388-N391 VanDerWaalsContact OD1-N 3.15Å; N388-N391 PolarHBondContact OD1-OD1 3.21Å; N388-S392 PolarHBondContact O-N 2.88Å
389Y79.2Confident90.2Very high212 Ų21232.2 Ų32.283%0.83116%0.156SC*.THydrogen-bonded Turntrans-57.6-18.4176.6-61.6-70.9000114.6
390G80.6Confident91Very high8 Ų833.7 Ų33.78%0.08217%0.165CC..THydrogen-bonded Turntrans-80.3-29.9177.400000114.5S263 N388S263-G390 PolarHBondContact OG-O 2.76Å; N388-G390 PolarHBondContact O-N 2.65Å; N388-G390 VanDerWaalsContact OD1-CA 3.22Å; N388-G390 WeakPolarHBondContact OD1-CA 3.38Å; N388-G390 PolarHBondContact OD1-N 3.19Å
391N90.4Very high91.5Very high0 Ų032.9 Ų32.90%016%0.163CC..THydrogen-bonded Turntrans-114.8-4.4176.666.9-3000115.5A345 T357 I386 I387 N388 G394 N407A345-N391 PolarHBondContact O-ND2 3.22Å; A345-N391 VanDerWaalsContact O-ND2 3.14Å; T357-N391 PolarHBondContact OG1-ND2 3.16Å; I386-N391 PolarHBondContact O-ND2 2.94Å; I387-N391 VanDerWaalsContact CA-OD1 3.32Å; I387-N391 WeakPolarHBondContact CA-OD1 3.09Å; N388-N391 PolarHBondContact N-OD1 2.93Å; N388-N391 PolarHBondContact O-N 3.35Å; N388-N391 VanDerWaalsContact O-N 3.12Å; N388-N391 PolarHBondContact O-OD1 3.09Å; N388-N391 PolarHBondContact OD1-N 2.96Å; N388-N391 VanDerWaalsContact OD1-N 3.15Å; N388-N391 PolarHBondContact OD1-OD1 3.21Å; N391-G394 WeakPolarHBondContact O-CA 3.43Å; N391-G394 PolarHBondContact O-N 3.01Å; N391-N407 VanDerWaalsContact O-CB 3.25Å; N391-N407 WeakPolarHBondContact O-CB 3.4Å; N391-N407 PolarHBondContact O-ND2 3.15Å; N391-N407 VanDerWaalsContact O-ND2 3.13Å
392S89.4Confident91.9Very high6 Ų636.1 Ų36.14%0.04218%0.178CC..THydrogen-bonded Turntrans-53.2138.3164.9-1730000111.7S263 H278 N388 G394 N407 T408S263-S392 WeakPolarHBondContact CB-O 3.33Å; S263-S392 PolarHBondContact N-O 3.45Å; H278-S392 PolarHBondContact CE1-OG 3.49Å; H278-S392 PolarHBondContact NE2-OG 2.95Å; N388-S392 PolarHBondContact O-N 2.88Å; S392-G394 PolarHBondContact O-N 2.97Å; S392-N407 CarbonylContact C-O 3.43Å; S392-N407 WeakPolarHBondContact CA-O 3.02Å; S392-T408 PolarHBondContact OG-O 3.11Å
393G93.2Very high92.4Very high0 Ų034.7 Ų34.70%017%0.171CC..THydrogen-bonded Turntrans75.7-17-170.100000114.6S263 G264 N276 N407S263-G393 CarbonylContact O-C 3.42Å; S263-G393 VanDerWaalsContact O-CA 3.28Å; S263-G393 WeakPolarHBondContact O-CA 3.47Å; G264-G393 WeakPolarHBondContact CA-O 3.43Å; N276-G393 WeakPolarHBondContact OD1-CA 3.2Å; N276-G393 PolarHBondContact OD1-N 2.68Å; G393-N407 PolarHBondContact N-O 2.83Å
394G96.3Very high92.7Very high0 Ų034.7 Ų34.70%017%0.171CC..SBendtrans-75.5168.6174.400000112.5N391 S392 N407N391-G394 WeakPolarHBondContact O-CA 3.43Å; N391-G394 PolarHBondContact O-N 3.01Å; S392-G394 PolarHBondContact O-N 2.97Å; G394-N407 WeakPolarHBondContact O-CB 3.33Å; G394-N407 PolarHBondContact O-N 2.92Å; G394-N407 PolarHBondContact O-ND2 3.04Å
395P97.9Very high92.9Very high0 Ų031.4 Ų31.40%015%0.153CC..EExtended strand (participates in β ladder)trans-79.1146.2-179.631.3-31.5000112.1V241 F265 L329 I346 V397 V403 N407V241-P395 HydrophobicContact CG2-CG 4.15Å; F265-P395 HydrophobicContact CB-CB 4.36Å; F265-P395 HydrophobicContact CB-CG 3.93Å; F265-P395 HydrophobicContact CD1-CB 3.7Å; F265-P395 HydrophobicContact CD1-CG 4.01Å; F265-P395 HydrophobicContact CD2-CB 4.48Å; F265-P395 HydrophobicContact CE1-CB 4.06Å; F265-P395 HydrophobicContact CG-CB 3.93Å; F265-P395 HydrophobicContact CG-CG 4.05Å; L329-P395 HydrophobicContact CD1-CB 4.19Å; L329-P395 HydrophobicContact CD1-CG 3.83Å; I346-P395 HydrophobicContact CG2-CG 3.69Å; I346-P395 PolarHBondContact N-O 3.31Å; I346-P395 WeakPolarHBondContact O-CD 3.47Å; P395-V397 HydrophobicContact CB-CG1 4.05Å; P395-V397 HydrophobicContact CG-CG1 4.42Å; P395-V403 HydrophobicContact CB-CB 4.4Å; P395-V403 HydrophobicContact CB-CG1 3.85Å; P395-V403 HydrophobicContact CB-CG2 3.73Å; P395-N407 PolarHBondContact O-ND2 2.94Å
396L97.8Very high93.2Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-94.8124.5154.5-171.370.3000107.1V343 A345 I381 T383 I404 G405 N407 A418V343-L396 HydrophobicContact CB-CD1 3.92Å; V343-L396 HydrophobicContact CB-CG 4.2Å; V343-L396 HydrophobicContact CG2-CD1 3.91Å; A345-L396 HydrophobicContact CB-CD1 3.81Å; I381-L396 HydrophobicContact CG2-CD2 4.03Å; T383-L396 HydrophobicContact CG2-CD1 4.45Å; L396-I404 HydrophobicContact CB-CG1 4.3Å; L396-I404 HydrophobicContact CD2-CD1 3.9Å; L396-I404 HydrophobicContact CD2-CG1 4.15Å; L396-I404 HydrophobicContact CG-CD1 4.04Å; L396-I404 HydrophobicContact CG-CG1 4.02Å; L396-I404 VanDerWaalsContact O-CG1 3.29Å; L396-I404 WeakPolarHBondContact O-CG1 3.46Å; L396-I404 PolarHBondContact O-N 2.99Å; L396-G405 PolarHBondContact N-O 3.13Å; L396-G405 PolarHBondContact O-N 3.39Å; L396-N407 WeakPolarHBondContact CB-OD1 3.43Å; L396-A418 HydrophobicContact CB-CB 4.26Å; L396-A418 HydrophobicContact CD2-CB 3.78Å
397V98.3Very high93.4Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-120.3152.9-179.4-54.20000113.2V233 I237 V343 V344 P395 E402 V403V233-V397 HydrophobicContact CG1-CG2 3.76Å; I237-V397 HydrophobicContact CD1-CG1 4.26Å; I237-V397 HydrophobicContact CD1-CG2 3.51Å; V343-V397 VanDerWaalsContact CA-O 3.26Å; V343-V397 WeakPolarHBondContact CA-O 3.27Å; V344-V397 HydrophobicContact CB-CG2 3.85Å; V344-V397 PolarHBondContact N-O 3.2Å; V344-V397 PolarHBondContact O-N 2.97Å; P395-V397 HydrophobicContact CB-CG1 4.05Å; P395-V397 HydrophobicContact CG-CG1 4.42Å; V397-E402 WeakPolarHBondContact CA-O 3.43Å; V397-E402 VanDerWaalsContact CB-O 3.28Å; V397-E402 WeakPolarHBondContact CB-O 3.42Å; V397-V403 HydrophobicContact CG1-CG2 4.12Å
398N97.7Very high93.3Very high13 Ų1327.3 Ų27.37%0.0713%0.133CC..  trans-81.8-179.4168.2676.9000111.9D400 G401 E402 I404N398-D400 VanDerWaalsContact C-N 3.25Å; N398-D400 PolarHBondContact O-N 3.5Å; N398-D400 PolarHBondContact OD1-N 2.81Å; N398-G401 PolarHBondContact O-N 3.36Å; N398-G401 PolarHBondContact OD1-N 3.36Å; N398-G401 VanDerWaalsContact OD1-N 3.11Å; N398-E402 PolarHBondContact N-O 3.43Å; N398-E402 VanDerWaalsContact N-O 3.11Å; N398-E402 PolarHBondContact OD1-N 3.02Å; N398-E402 PolarHBondContact OD1-O 3.41Å; N398-I404 HydrophobicContact CB-CG2 3.95Å
399L97.3Very high92.5Very high69 Ų6928.1 Ų28.136%0.36114%0.137SC..THydrogen-bonded Turntrans-69.1-18.8178.4-64.1-169000114.6F229 I230 V233 F342 G401F229-L399 HydrophobicContact CD2-CD1 3.97Å; F229-L399 HydrophobicContact CD2-CD2 3.65Å; F229-L399 HydrophobicContact CD2-CG 4.48Å; F229-L399 HydrophobicContact CE2-CD1 4.14Å; F229-L399 HydrophobicContact CE2-CD2 3.99Å; I230-L399 HydrophobicContact CD1-CD2 4.03Å; V233-L399 HydrophobicContact CG2-CD2 4.41Å; V233-L399 VanDerWaalsContact CG2-O 3.25Å; V233-L399 WeakPolarHBondContact CG2-O 3.43Å; F342-L399 HydrophobicContact CB-CD1 4.07Å; F342-L399 HydrophobicContact CB-CD2 3.79Å; F342-L399 HydrophobicContact CB-CG 3.99Å; L399-G401 PolarHBondContact O-N 2.98Å
400D96.9Very high91.6Very high114 Ų11423 Ų2361%0.6112%0.118SC*.THydrogen-bonded Turntrans-79.6-3.3170.3-69.9-63.8000112.4K236 N398 E402K236-D400 PolarHBondContact NZ-O 3.15Å; N398-D400 VanDerWaalsContact C-N 3.25Å; N398-D400 PolarHBondContact O-N 3.5Å; N398-D400 PolarHBondContact OD1-N 2.81Å; D400-E402 VanDerWaalsContact C-N 3.33Å; D400-E402 HydrophobicContact CB-CG 4.17Å
401G96.8Very high90.5Very high4 Ų427 Ų274%0.04114%0.141CC..SBendtrans75.220.3179.500000113.9N398 L399N398-G401 PolarHBondContact O-N 3.36Å; N398-G401 PolarHBondContact OD1-N 3.36Å; N398-G401 VanDerWaalsContact OD1-N 3.11Å; L399-G401 PolarHBondContact O-N 2.98Å
402E98.1Very high88.9Confident68 Ų6830.3 Ų30.332%0.31816%0.161SC..  trans-90.6143.6174.3-48.2-164.3119.400110.5V397 N398 D400 I404V397-E402 WeakPolarHBondContact CA-O 3.43Å; V397-E402 VanDerWaalsContact CB-O 3.28Å; V397-E402 WeakPolarHBondContact CB-O 3.42Å; N398-E402 PolarHBondContact N-O 3.43Å; N398-E402 VanDerWaalsContact N-O 3.11Å; N398-E402 PolarHBondContact OD1-N 3.02Å; N398-E402 PolarHBondContact OD1-O 3.41Å; D400-E402 VanDerWaalsContact C-N 3.33Å; D400-E402 HydrophobicContact CB-CG 4.17Å; E402-I404 PolarHBondContact O-N 3.33Å
403V98.3Very high87.6Confident0 Ų034.3 Ų34.30%020%0.195CC..EExtended strand (participates in β ladder)trans-77115.1178.5-176.10000109.9F265 L329 S330 L331 G332 P395 V397 G405 S421 I424F265-V403 HydrophobicContact CD2-CG2 3.92Å; F265-V403 HydrophobicContact CE1-CG1 4.37Å; F265-V403 HydrophobicContact CE2-CB 4.23Å; F265-V403 HydrophobicContact CE2-CG1 3.88Å; F265-V403 HydrophobicContact CE2-CG2 3.85Å; F265-V403 HydrophobicContact CZ-CG1 3.74Å; F265-V403 HydrophobicContact CZ-CG2 4.48Å; L329-V403 HydrophobicContact CB-CG2 3.63Å; L329-V403 HydrophobicContact CD1-CG2 3.54Å; L329-V403 HydrophobicContact CG-CG2 4.23Å; S330-V403 PolarHBondContact O-N 3.24Å; L331-V403 WeakPolarHBondContact CA-O 3.25Å; L331-V403 HydrophobicContact CD2-CB 3.83Å; L331-V403 HydrophobicContact CD2-CG1 4.14Å; G332-V403 PolarHBondContact N-O 2.9Å; P395-V403 HydrophobicContact CB-CB 4.4Å; P395-V403 HydrophobicContact CB-CG1 3.85Å; P395-V403 HydrophobicContact CB-CG2 3.73Å; V397-V403 HydrophobicContact CG1-CG2 4.12Å; V403-G405 VanDerWaalsContact CG1-O 3.22Å; V403-G405 WeakPolarHBondContact CG1-O 3.39Å; V403-S421 VanDerWaalsContact O-CB 3.23Å; V403-S421 WeakPolarHBondContact O-CB 3.32Å; V403-I424 HydrophobicContact CG1-CD1 4.48Å
404I97.7Very high86.4Confident1 Ų136.2 Ų36.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-97.6-12.7175.561.6161.2000112L337 V343 I381 L396 N398 E402 S421L337-I404 HydrophobicContact CD1-CB 4.24Å; L337-I404 HydrophobicContact CD1-CD1 4.05Å; L337-I404 HydrophobicContact CD2-CB 4.11Å; L337-I404 HydrophobicContact CD2-CD1 3.63Å; L337-I404 HydrophobicContact CD2-CG1 4.49Å; L337-I404 HydrophobicContact CD2-CG2 3.94Å; V343-I404 HydrophobicContact CB-CD1 4.39Å; V343-I404 HydrophobicContact CG1-CD1 3.47Å; V343-I404 VanDerWaalsContact CG1-CD1 3.47Å; I381-I404 WeakPolarHBondContact CD1-O 3.29Å; L396-I404 HydrophobicContact CB-CG1 4.3Å; L396-I404 HydrophobicContact CD2-CD1 3.9Å; L396-I404 HydrophobicContact CD2-CG1 4.15Å; L396-I404 HydrophobicContact CG-CD1 4.04Å; L396-I404 HydrophobicContact CG-CG1 4.02Å; L396-I404 VanDerWaalsContact O-CG1 3.29Å; L396-I404 WeakPolarHBondContact O-CG1 3.46Å; L396-I404 PolarHBondContact O-N 2.99Å; N398-I404 HydrophobicContact CB-CG2 3.95Å; E402-I404 PolarHBondContact O-N 3.33Å; I404-S421 WeakPolarHBondContact O-CB 2.94Å; I404-S421 PolarHBondContact O-N 2.83Å; I404-S421 PolarHBondContact O-OG 3.12Å
405G96.3Very high85.3Confident0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-175.1179.7170.900000115.9L396 V403 I419L396-G405 PolarHBondContact N-O 3.13Å; L396-G405 PolarHBondContact O-N 3.39Å; V403-G405 VanDerWaalsContact CG1-O 3.22Å; V403-G405 WeakPolarHBondContact CG1-O 3.39Å; G405-I419 CarbonylContact C-O 3.6Å; G405-I419 WeakPolarHBondContact CA-O 3.36Å
406I96.7Very high84.7Confident0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-103.4125.6171.3-43179.2000108.8F265 V274 I315 T408 A418 I419 I424F265-I406 HydrophobicContact CE1-CG1 4.24Å; F265-I406 HydrophobicContact CZ-CG1 4.4Å; V274-I406 HydrophobicContact CG1-CD1 3.48Å; V274-I406 VanDerWaalsContact CG1-CD1 3.48Å; V274-I406 HydrophobicContact CG1-CG1 4.15Å; I315-I406 HydrophobicContact CG1-CD1 4.2Å; I315-I406 HydrophobicContact CG2-CD1 3.99Å; I406-T408 VanDerWaalsContact O-CG2 3.3Å; I406-T408 WeakPolarHBondContact O-CG2 3.08Å; I406-T408 PolarHBondContact O-N 3.31Å; I406-A418 CarbonylContact O-C 3.57Å; I406-A418 WeakPolarHBondContact O-CA 3.47Å; I406-A418 WeakPolarHBondContact O-CB 3.28Å; I406-I419 HydrophobicContact CB-CB 4.37Å; I406-I419 HydrophobicContact CB-CD1 4.4Å; I406-I419 HydrophobicContact CD1-CD1 4.32Å; I406-I419 HydrophobicContact CG1-CB 4.49Å; I406-I419 PolarHBondContact N-O 2.81Å; I406-I419 PolarHBondContact O-N 2.79Å; I406-I424 HydrophobicContact CD1-CD1 4.03Å; I406-I424 HydrophobicContact CD1-CG1 4.08Å; I406-I424 HydrophobicContact CG1-CD1 3.43Å; I406-I424 VanDerWaalsContact CG1-CD1 3.43Å; I406-I424 HydrophobicContact CG1-CG1 3.97Å
407N94.4Very high84.2Confident0 Ų039.5 Ų39.50%023%0.231CC..EExtended strand (participates in β ladder)trans-62.2125173.3-58.9-39.3000110.2N276 A345 I346 I387 N391 S392 G393 G394 P395 L396N276-N407 PolarHBondContact OD1-O 2.88Å; A345-N407 WeakPolarHBondContact CB-OD1 3.4Å; I346-N407 PolarHBondContact O-ND2 3.38Å; I387-N407 HydrophobicContact CD1-CB 3.7Å; I387-N407 HydrophobicContact CG1-CB 4.1Å; I387-N407 HydrophobicContact CG2-CB 4.19Å; N391-N407 VanDerWaalsContact O-CB 3.25Å; N391-N407 WeakPolarHBondContact O-CB 3.4Å; N391-N407 PolarHBondContact O-ND2 3.15Å; N391-N407 VanDerWaalsContact O-ND2 3.13Å; S392-N407 CarbonylContact C-O 3.43Å; S392-N407 WeakPolarHBondContact CA-O 3.02Å; G393-N407 PolarHBondContact N-O 2.83Å; G394-N407 WeakPolarHBondContact O-CB 3.33Å; G394-N407 PolarHBondContact O-N 2.92Å; G394-N407 PolarHBondContact O-ND2 3.04Å; P395-N407 PolarHBondContact O-ND2 2.94Å; L396-N407 WeakPolarHBondContact CB-OD1 3.43Å
408T83.1Confident83.9Confident8 Ų839.5 Ų39.55%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-124.1-63.4-176.366.30000114.7N276 S392 I406 F417 I419N276-T408 WeakPolarHBondContact ND2-CG2 3.45Å; S392-T408 PolarHBondContact OG-O 3.11Å; I406-T408 VanDerWaalsContact O-CG2 3.3Å; I406-T408 WeakPolarHBondContact O-CG2 3.08Å; I406-T408 PolarHBondContact O-N 3.31Å; T408-F417 PolarHBondContact N-O 2.85Å; T408-F417 VanDerWaalsContact N-O 3.07Å; T408-F417 PolarHBondContact OG1-O 2.96Å; T408-I419 HydrophobicContact CG2-CD1 3.44Å; T408-I419 VanDerWaalsContact CG2-CD1 3.44Å; T408-I419 HydrophobicContact CG2-CG1 3.61Å
409L66.9Low83.7Confident88 Ų8838.9 Ų38.946%0.46123%0.228SC..EExtended strand (participates in β ladder)trans-136.2141.5-163.8-67.7175.9000110.9S416 F417L409-S416 CarbonylContact O-C 3.6Å; L409-S416 WeakPolarHBondContact O-CA 3.37Å; L409-F417 PolarHBondContact N-O 3.32Å; L409-F417 PolarHBondContact O-N 3.22Å
410K59.5Low83.5Confident103 Ų10336.5 Ų36.545%0.44822%0.217SC..EExtended strand (participates in β ladder)trans-111121.1166.8177.2-178.2173.8-177.80107.9I387 T412I387-K410 WeakPolarHBondContact O-CD 3.38Å; K410-T412 WeakPolarHBondContact CE-O 3.16Å; K410-T412 VanDerWaalsContact CG-O 3.22Å; K410-T412 WeakPolarHBondContact CG-O 3.44Å
411V57.7Low83.4Confident92 Ų9231 Ų3156%0.55819%0.188SC*.EExtended strand (participates in β ladder)trans-95.1-39.1-178.2-179.70000110.8I415 F417V411-I415 PolarHBondContact N-O 3.2Å; V411-I415 VanDerWaalsContact N-O 3.15Å; V411-F417 HydrophobicContact CB-CE2 4.14Å; V411-F417 HydrophobicContact CG2-CD2 3.8Å; V411-F417 HydrophobicContact CG2-CE2 3.62Å
412T56.3Low83.3Confident70 Ų7033.5 Ų33.543%0.42920%0.2SC..EExtended strand (participates in β ladder)trans-142.4-178.3175.663.20000111.3K410 I415K410-T412 WeakPolarHBondContact CE-O 3.16Å; K410-T412 VanDerWaalsContact CG-O 3.22Å; K410-T412 WeakPolarHBondContact CG-O 3.44Å; T412-I415 WeakPolarHBondContact OG1-CB 3.15Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å
413A62.7Low83Confident90 Ų9033.5 Ų33.574%0.74420%0.197SC*.THydrogen-bonded Turntrans-69.6128.6167.600000110.1I415A413-I415 VanDerWaalsContact C-N 3.31Å; A413-I415 PolarHBondContact O-N 2.04Å
414G66.9Low82.7Confident41 Ų4133.5 Ų33.542%0.42320%0.197SC..THydrogen-bonded Turntrans78.34.7-177.700000115.5D384D384-G414 WeakPolarHBondContact CA-O 3.25Å
415I74.8Confident82.6Confident60 Ų6035.4 Ų35.431%0.30821%0.21SC..EExtended strand (participates in β ladder)trans-132.7104.3174.2-49.4-177.7000110.1Q382 V411 T412 A413 F417Q382-I415 HydrophobicContact CG-CG2 4.07Å; V411-I415 PolarHBondContact N-O 3.2Å; V411-I415 VanDerWaalsContact N-O 3.15Å; T412-I415 WeakPolarHBondContact OG1-CB 3.15Å; T412-I415 WeakPolarHBondContact OG1-CG1 3.22Å; A413-I415 VanDerWaalsContact C-N 3.31Å; A413-I415 PolarHBondContact O-N 2.04Å; I415-F417 HydrophobicContact CG2-CE1 4.36Å; I415-F417 HydrophobicContact CG2-CE2 3.61Å; I415-F417 HydrophobicContact CG2-CZ 3.46Å; I415-F417 VanDerWaalsContact CG2-CZ 3.46Å
416S84.9Confident82.4Confident1 Ų142 Ų421%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-120.9156.3173.3-45.80000110.7T383 A385 I387 L409T383-S416 PolarHBondContact N-O 2.65Å; T383-S416 PolarHBondContact O-N 2.72Å; A385-S416 VanDerWaalsContact O-CB 3.25Å; A385-S416 WeakPolarHBondContact O-CB 3.26Å; A385-S416 PolarHBondContact O-OG 3.46Å; I387-S416 PolarHBondContact N-OG 3.3Å; L409-S416 CarbonylContact O-C 3.6Å; L409-S416 WeakPolarHBondContact O-CA 3.37Å
417F87.7Confident82.3Confident7 Ų742.2 Ų42.23%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-126.4147.2-176.7-64.6-75.7000113R366 L371 Y380 I381 Q382 I387 T408 L409 V411 I415R366-F417 HydrophobicContact CG-CE1 4.19Å; L371-F417 HydrophobicContact CD1-CD1 3.84Å; L371-F417 HydrophobicContact CD1-CD2 4.18Å; L371-F417 HydrophobicContact CD1-CE1 3.58Å; L371-F417 HydrophobicContact CD1-CE2 3.93Å; L371-F417 HydrophobicContact CD1-CG 4.14Å; L371-F417 HydrophobicContact CD1-CZ 3.63Å; L371-F417 HydrophobicContact CD2-CE1 3.86Å; L371-F417 HydrophobicContact CD2-CE2 4.06Å; L371-F417 HydrophobicContact CD2-CZ 3.37Å; L371-F417 HydrophobicContact CG-CE1 4.38Å; L371-F417 HydrophobicContact CG-CZ 4.15Å; Y380-F417 HydrophobicContact CD1-CB 4.49Å; I381-F417 CarbonylContact O-C 3.54Å; I381-F417 WeakPolarHBondContact O-CA 3.44Å; Q382-F417 HydrophobicContact CB-CD1 4.14Å; Q382-F417 HydrophobicContact CB-CE1 3.77Å; Q382-F417 HydrophobicContact CG-CD1 4.35Å; Q382-F417 HydrophobicContact CG-CE1 3.7Å; Q382-F417 HydrophobicContact CG-CZ 4.2Å; I387-F417 VanDerWaalsContact CD1-O 3.27Å; I387-F417 WeakPolarHBondContact CD1-O 3.32Å; T408-F417 PolarHBondContact N-O 2.85Å; T408-F417 VanDerWaalsContact N-O 3.07Å; T408-F417 PolarHBondContact OG1-O 2.96Å; L409-F417 PolarHBondContact N-O 3.32Å; L409-F417 PolarHBondContact O-N 3.22Å; V411-F417 HydrophobicContact CB-CE2 4.14Å; V411-F417 HydrophobicContact CG2-CD2 3.8Å; V411-F417 HydrophobicContact CG2-CE2 3.62Å; I415-F417 HydrophobicContact CG2-CE1 4.36Å; I415-F417 HydrophobicContact CG2-CE2 3.61Å; I415-F417 HydrophobicContact CG2-CZ 3.46Å; I415-F417 VanDerWaalsContact CG2-CZ 3.46Å
418A91.6Very high82.2Confident0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-131147.2172.700000112I381 L396 I406I381-A418 HydrophobicContact CB-CB 4.39Å; I381-A418 PolarHBondContact N-O 3.24Å; I381-A418 PolarHBondContact O-N 3.31Å; L396-A418 HydrophobicContact CB-CB 4.26Å; L396-A418 HydrophobicContact CD2-CB 3.78Å; I406-A418 CarbonylContact O-C 3.57Å; I406-A418 WeakPolarHBondContact O-CA 3.47Å; I406-A418 WeakPolarHBondContact O-CB 3.28Å
419I92.3Very high82.6Confident1 Ų147.9 Ų47.91%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-74.2127.1172.8-65.5155.7000108.7N276 A313 D314 I315 M378 Y380 G405 I406 T408 R423N276-I419 VanDerWaalsContact ND2-CD1 3.33Å; N276-I419 WeakPolarHBondContact ND2-CD1 3.37Å; A313-I419 WeakPolarHBondContact O-CD1 3.5Å; D314-I419 HydrophobicContact CB-CD1 4.4Å; I315-I419 HydrophobicContact CD1-CG2 3.94Å; I315-I419 HydrophobicContact CG1-CD1 3.97Å; I315-I419 HydrophobicContact CG1-CG2 4.15Å; M378-I419 HydrophobicContact CE-CG2 4.38Å; Y380-I419 HydrophobicContact CE1-CG1 4.25Å; G405-I419 CarbonylContact C-O 3.6Å; G405-I419 WeakPolarHBondContact CA-O 3.36Å; I406-I419 HydrophobicContact CB-CB 4.37Å; I406-I419 HydrophobicContact CB-CD1 4.4Å; I406-I419 HydrophobicContact CD1-CD1 4.32Å; I406-I419 HydrophobicContact CG1-CB 4.49Å; I406-I419 PolarHBondContact N-O 2.81Å; I406-I419 PolarHBondContact O-N 2.79Å; T408-I419 HydrophobicContact CG2-CD1 3.44Å; T408-I419 VanDerWaalsContact CG2-CD1 3.44Å; T408-I419 HydrophobicContact CG2-CG1 3.61Å; I419-R423 HydrophobicContact CG2-CB 4.12Å; I419-R423 HydrophobicContact CG2-CG 4.17Å
420P93.8Very high83.6Confident18 Ų1848.3 Ų48.312%0.11727%0.269CS..EExtended strand (participates in β ladder)trans-61.9141.4-177.8-20.230.1000114S334 D379 I381 D422 R423 I424S334-P420 VanDerWaalsContact OG-CB 3.22Å; S334-P420 WeakPolarHBondContact OG-CB 3.22Å; D379-P420 WeakPolarHBondContact O-CD 3.37Å; D379-P420 VanDerWaalsContact O-CG 3.29Å; D379-P420 WeakPolarHBondContact O-CG 3.31Å; I381-P420 HydrophobicContact CD1-CB 4.26Å; I381-P420 HydrophobicContact CG1-CB 4.39Å; I381-P420 HydrophobicContact CG1-CG 4.26Å; P420-D422 VanDerWaalsContact C-N 3.26Å; P420-D422 PolarHBondContact O-N 3.15Å; P420-R423 WeakPolarHBondContact O-CB 3.42Å; P420-R423 PolarHBondContact O-N 3.4Å; P420-I424 PolarHBondContact O-N 3.35Å
421S95.9Very high84.8Confident0 Ų043.7 Ų43.70%025%0.25CC..Hα-helixtrans-58.2-32.3-178.555.40000114G332 S334 V403 I404 R423 I424 S425G332-S421 WeakPolarHBondContact O-CB 3.42Å; G332-S421 PolarHBondContact O-OG 2.94Å; S334-S421 VanDerWaalsContact CB-OG 3.29Å; S334-S421 WeakPolarHBondContact CB-OG 3.45Å; S334-S421 PolarHBondContact N-OG 3.36Å; S334-S421 PolarHBondContact OG-N 3.07Å; S334-S421 PolarHBondContact OG-OG 3.39Å; V403-S421 VanDerWaalsContact O-CB 3.23Å; V403-S421 WeakPolarHBondContact O-CB 3.32Å; I404-S421 WeakPolarHBondContact O-CB 2.94Å; I404-S421 PolarHBondContact O-N 2.83Å; I404-S421 PolarHBondContact O-OG 3.12Å; S421-R423 PolarHBondContact O-N 2.9Å; S421-I424 CarbonylContact O-C 3.58Å; S421-I424 WeakPolarHBondContact O-CA 3.19Å; S421-I424 VanDerWaalsContact O-CB 3.29Å; S421-I424 WeakPolarHBondContact O-CB 3.39Å; S421-I424 PolarHBondContact O-N 2.89Å; S421-S425 PolarHBondContact O-N 3.12Å; S421-S425 PolarHBondContact O-OG 3.31Å
422D93.4Very high86Confident55 Ų5545 Ų4529%0.29425%0.25SC..Hα-helixtrans-66-27.8178.1-62-48.9000112.3S334 A335 P420 R426S334-D422 WeakPolarHBondContact CA-OD2 3.46Å; S334-D422 WeakPolarHBondContact CB-OD2 3.19Å; S334-D422 PolarHBondContact N-OD2 3.02Å; S334-D422 WeakPolarHBondContact OG-CB 3.41Å; S334-D422 PolarHBondContact OG-N 3.18Å; S334-D422 PolarHBondContact OG-OD2 2.81Å; A335-D422 PolarHBondContact N-OD2 2.92Å; P420-D422 VanDerWaalsContact C-N 3.26Å; P420-D422 PolarHBondContact O-N 3.15Å; D422-R426 WeakPolarHBondContact O-CB 3.36Å; D422-R426 PolarHBondContact O-N 2.83Å; D422-R426 VanDerWaalsContact O-N 3.11Å
423R91.5Very high87.3Confident69 Ų6944.5 Ų44.526%0.2625%0.247SC..Hα-helixtrans-70.6-38.4170.1-174.772.7-166.6-160.85.3111.1D310 A313 I315 M378 I419 P420 S421 F427D310-R423 IonicContact OD2-CZ 2.73Å; D310-R423 IonicContact OD2-NH2 2.67Å; D310-R423 PolarHBondContact OD2-NH2 2.93Å; A313-R423 HydrophobicContact CB-CG 4.37Å; I315-R423 HydrophobicContact CD1-CB 4.5Å; I315-R423 HydrophobicContact CD1-CG 3.74Å; M378-R423 HydrophobicContact CE-CG 4.15Å; M378-R423 HydrophobicContact SD-CG 4.31Å; I419-R423 HydrophobicContact CG2-CB 4.12Å; I419-R423 HydrophobicContact CG2-CG 4.17Å; P420-R423 WeakPolarHBondContact O-CB 3.42Å; P420-R423 PolarHBondContact O-N 3.4Å; S421-R423 PolarHBondContact O-N 2.9Å; R423-F427 WeakPolarHBondContact O-CB 3.38Å; R423-F427 PolarHBondContact O-N 2.8Å
424I93.6Very high88.1Confident0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-63.5-47.7174.4-44173.4000110.2F265 V274 L331 V403 I406 P420 S421 R426 F427 L428F265-I424 HydrophobicContact CZ-CD1 4.25Å; V274-I424 HydrophobicContact CG1-CG2 3.93Å; V274-I424 HydrophobicContact CG2-CG2 4.12Å; L331-I424 HydrophobicContact CD1-CB 4.08Å; L331-I424 HydrophobicContact CD1-CG2 4Å; L331-I424 HydrophobicContact CD2-CD1 4.44Å; V403-I424 HydrophobicContact CG1-CD1 4.48Å; I406-I424 HydrophobicContact CD1-CD1 4.03Å; I406-I424 HydrophobicContact CD1-CG1 4.08Å; I406-I424 HydrophobicContact CG1-CD1 3.43Å; I406-I424 VanDerWaalsContact CG1-CD1 3.43Å; I406-I424 HydrophobicContact CG1-CG1 3.97Å; P420-I424 PolarHBondContact O-N 3.35Å; S421-I424 CarbonylContact O-C 3.58Å; S421-I424 WeakPolarHBondContact O-CA 3.19Å; S421-I424 VanDerWaalsContact O-CB 3.29Å; S421-I424 WeakPolarHBondContact O-CB 3.39Å; S421-I424 PolarHBondContact O-N 2.89Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.1Å; I424-F427 PolarHBondContact O-N 3.46Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.35Å
425S94.3Very high88.5Confident41 Ų4149 Ų4929%0.28724%0.235SC..Hα-helixtrans-57-43.9178-660000112.1L331 S421 T429L331-S425 VanDerWaalsContact CD1-OG 3.31Å; L331-S425 WeakPolarHBondContact CD1-OG 3.49Å; S421-S425 PolarHBondContact O-N 3.12Å; S421-S425 PolarHBondContact O-OG 3.31Å; S425-T429 WeakPolarHBondContact O-CB 3.43Å; S425-T429 PolarHBondContact O-N 3.39Å; S425-T429 PolarHBondContact O-OG1 3.02Å
426R92.9Very high88.7Confident137 Ų13749.6 Ų49.652%0.51724%0.242SC..Hα-helixtrans-61.5-50.9174.2-169.4179.4-56.91578.2111.8D422 I424 L428 T429 E430D422-R426 WeakPolarHBondContact O-CB 3.36Å; D422-R426 PolarHBondContact O-N 2.83Å; D422-R426 VanDerWaalsContact O-N 3.11Å; I424-R426 VanDerWaalsContact C-N 3.33Å; I424-R426 PolarHBondContact O-N 3.1Å; R426-L428 PolarHBondContact O-N 2.97Å; R426-T429 PolarHBondContact O-N 3.22Å; R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3Å
427F93.2Very high88.4Confident6 Ų656.2 Ų56.23%0.02627%0.271CS..Hα-helixtrans-59-43178.7175.3-106.2000112.9D308 D310 I315 T317 R423 I424 E430 S431D308-F427 HydrophobicContact CB-CE2 4.4Å; D308-F427 HydrophobicContact CB-CZ 3.88Å; D310-F427 HydrophobicContact CB-CD2 3.89Å; D310-F427 HydrophobicContact CB-CE2 3.68Å; I315-F427 HydrophobicContact CB-CD1 4.21Å; I315-F427 HydrophobicContact CB-CE1 4.26Å; I315-F427 HydrophobicContact CB-CG 4.47Å; I315-F427 HydrophobicContact CD1-CB 4.3Å; I315-F427 HydrophobicContact CG2-CD1 3.46Å; I315-F427 VanDerWaalsContact CG2-CD1 3.46Å; I315-F427 HydrophobicContact CG2-CE1 3.58Å; I315-F427 HydrophobicContact CG2-CG 4.14Å; I315-F427 HydrophobicContact CG2-CZ 4.33Å; T317-F427 HydrophobicContact CG2-CD1 4.34Å; T317-F427 HydrophobicContact CG2-CE1 3.79Å; R423-F427 WeakPolarHBondContact O-CB 3.38Å; R423-F427 PolarHBondContact O-N 2.8Å; I424-F427 PolarHBondContact O-N 3.46Å; F427-E430 PolarHBondContact O-N 3.36Å; F427-S431 VanDerWaalsContact O-CB 3.29Å; F427-S431 WeakPolarHBondContact O-CB 3.28Å; F427-S431 PolarHBondContact O-N 2.83Å
428L92.6Very high87.9Confident35 Ų3561.6 Ų61.618%0.18330%0.296CS..Hα-helixtrans-63-42.8175.4-73.6169.5000112.1V267 V274 T317 L331 I424 R426 S431 Q432V267-L428 HydrophobicContact CG2-CD2 4.44Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å; V274-L428 HydrophobicContact CG2-CD2 4.2Å; T317-L428 HydrophobicContact CG2-CD2 3.57Å; L331-L428 HydrophobicContact CD1-CD1 3.76Å; I424-L428 HydrophobicContact CG2-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CG 4.32Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 WeakPolarHBondContact O-CG 3.44Å; I424-L428 PolarHBondContact O-N 3.35Å; R426-L428 PolarHBondContact O-N 2.97Å; L428-S431 PolarHBondContact O-N 2.87Å; L428-Q432 VanDerWaalsContact O-CB 3.3Å; L428-Q432 WeakPolarHBondContact O-CB 3.17Å; L428-Q432 PolarHBondContact O-N 3.43Å
429T91.8Very high87Confident92 Ų9267 Ų6756%0.56432%0.319SS*.Hα-helixtrans-63.1-45.1178-58.50000111.4S425 R426 T433S425-T429 WeakPolarHBondContact O-CB 3.43Å; S425-T429 PolarHBondContact O-N 3.39Å; S425-T429 PolarHBondContact O-OG1 3.02Å; R426-T429 PolarHBondContact O-N 3.22Å; T429-T433 WeakPolarHBondContact O-CB 3.25Å; T429-T433 PolarHBondContact O-N 2.73Å; T429-T433 PolarHBondContact O-OG1 3.31Å
430E88.8Confident86.1Confident97 Ų9769.9 Ų69.945%0.45334%0.337SS..Hα-helixtrans-61.8-48.9174.9-72.6177-150.900111.4R426 F427 Q432 T433 K434R426-E430 WeakPolarHBondContact O-CG 3.47Å; R426-E430 PolarHBondContact O-N 3Å; F427-E430 PolarHBondContact O-N 3.36Å; E430-Q432 PolarHBondContact O-N 2.63Å; E430-T433 WeakPolarHBondContact O-CB 3.22Å; E430-T433 PolarHBondContact O-N 3.15Å; E430-T433 VanDerWaalsContact O-N 3.14Å; E430-K434 WeakPolarHBondContact O-CG 3.35Å; E430-K434 PolarHBondContact O-N 3.06Å
431S84.1Confident85.1Confident5 Ų578 Ų784%0.03537%0.365CS..Hα-helixtrans-60.4-44.2179.8-1680000113D308 F427 L428 T433 K434 Y435D308-S431 VanDerWaalsContact CB-OG 3.23Å; D308-S431 WeakPolarHBondContact CB-OG 3.48Å; D308-S431 WeakPolarHBondContact OD2-CA 3.46Å; D308-S431 WeakPolarHBondContact OD2-CB 3.3Å; D308-S431 PolarHBondContact OD2-OG 3.29Å; F427-S431 VanDerWaalsContact O-CB 3.29Å; F427-S431 WeakPolarHBondContact O-CB 3.28Å; F427-S431 PolarHBondContact O-N 2.83Å; L428-S431 PolarHBondContact O-N 2.87Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 2.75Å; S431-K434 PolarHBondContact O-N 3.08Å; S431-Y435 WeakPolarHBondContact O-CB 3Å; S431-Y435 PolarHBondContact O-N 2.88Å
432Q83.4Confident83.7Confident119 Ų11982.8 Ų82.856%0.55639%0.39SS*.Hα-helixtrans-66.6-33175.9-175.6159.7-25.200112.2L428 E430 T436L428-Q432 VanDerWaalsContact O-CB 3.3Å; L428-Q432 WeakPolarHBondContact O-CB 3.17Å; L428-Q432 PolarHBondContact O-N 3.43Å; E430-Q432 PolarHBondContact O-N 2.63Å; Q432-T436 WeakPolarHBondContact O-CB 3.31Å; Q432-T436 PolarHBondContact O-N 3.39Å; Q432-T436 PolarHBondContact O-OG1 3.08Å
433T82.4Confident82.4Confident61 Ų6185.6 Ų85.637%0.37440%0.402SS..Hα-helixtrans-69.1-44.8174.3-61.50000111.8T429 E430 S431 T436 K437T429-T433 WeakPolarHBondContact O-CB 3.25Å; T429-T433 PolarHBondContact O-N 2.73Å; T429-T433 PolarHBondContact O-OG1 3.31Å; E430-T433 WeakPolarHBondContact O-CB 3.22Å; E430-T433 PolarHBondContact O-N 3.15Å; E430-T433 VanDerWaalsContact O-N 3.14Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 2.75Å; T433-T436 PolarHBondContact O-N 2.91Å; T433-K437 HydrophobicContact CG2-CD 4.08Å; T433-K437 WeakPolarHBondContact O-CG 3.12Å; T433-K437 PolarHBondContact O-N 2.99Å
434K80.6Confident81Confident99 Ų9990.3 Ų90.343%0.4342%0.419SS..Hα-helixtrans-54.5-56.4173.3-66.3168.6-161.7165.50110.3D308 E430 S431 T436 K437 E438D308-K434 VanDerWaalsContact CG-NZ 3.29Å; D308-K434 IonicContact OD1-NZ 2.7Å; D308-K434 PolarHBondContact OD1-NZ 2.7Å; D308-K434 VanDerWaalsContact OD1-NZ 3.07Å; D308-K434 IonicContact OD2-NZ 3.1Å; D308-K434 PolarHBondContact OD2-NZ 3.48Å; E430-K434 WeakPolarHBondContact O-CG 3.35Å; E430-K434 PolarHBondContact O-N 3.06Å; S431-K434 PolarHBondContact O-N 3.08Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.15Å; K434-K437 PolarHBondContact O-N 3.12Å; K434-E438 PolarHBondContact O-N 3Å
435Y76Confident79.2Confident125 Ų12597.5 Ų97.549%0.4945%0.446SS..Hα-helixtrans-60.5-39.8-176.7-175.8-97.2000113S431 K439S431-Y435 WeakPolarHBondContact O-CB 3Å; S431-Y435 PolarHBondContact O-N 2.88Å; Y435-K439 WeakPolarHBondContact O-CB 3.38Å; Y435-K439 PolarHBondContact O-N 3.37Å
436T78.1Confident77.3Confident73 Ų73106 Ų10645%0.44847%0.472SS..Hα-helixtrans-66-46.9177-56.60000111.3Q432 T433 K434 E438 K439 T440Q432-T436 WeakPolarHBondContact O-CB 3.31Å; Q432-T436 PolarHBondContact O-N 3.39Å; Q432-T436 PolarHBondContact O-OG1 3.08Å; T433-T436 PolarHBondContact O-N 2.91Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.15Å; T436-E438 VanDerWaalsContact C-N 3.31Å; T436-E438 PolarHBondContact O-N 2.94Å; T436-K439 PolarHBondContact O-N 2.96Å; T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.32Å; T436-T440 VanDerWaalsContact O-OG1 3.1Å
437K78.8Confident75.6Confident141 Ų141107.6 Ų107.661%0.61349%0.488SS*.Hα-helixtrans-60.3-39.8177.2-73.2173.4178.4176.80112.1T433 K434 R441T433-K437 HydrophobicContact CG2-CD 4.08Å; T433-K437 WeakPolarHBondContact O-CG 3.12Å; T433-K437 PolarHBondContact O-N 2.99Å; K434-K437 PolarHBondContact O-N 3.12Å; K437-R441 WeakPolarHBondContact O-CG 3.48Å; K437-R441 PolarHBondContact O-N 3.3Å
438E76.4Confident73.6Confident119 Ų119114.1 Ų114.156%0.55652%0.518SS*.Hα-helixtrans-66.8-46.4176.3-175165.1-141.300112.2K434 T436 T440 R441 L442K434-E438 PolarHBondContact O-N 3Å; T436-E438 VanDerWaalsContact C-N 3.31Å; T436-E438 PolarHBondContact O-N 2.94Å; E438-T440 PolarHBondContact O-N 3.46Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.45Å; E438-L442 HydrophobicContact CG-CD1 4.15Å; E438-L442 WeakPolarHBondContact O-CG 3.4Å; E438-L442 PolarHBondContact O-N 2.86Å
439K73.3Confident71.4Confident114 Ų114121 Ų12150%0.49655%0.549SS..Hα-helixtrans-59.5-43174.7-173.3178.4176.7-177.60112.1Y435 T436 L442 Q443Y435-K439 WeakPolarHBondContact O-CB 3.38Å; Y435-K439 PolarHBondContact O-N 3.37Å; T436-K439 PolarHBondContact O-N 2.96Å; K439-L442 PolarHBondContact O-N 3.2Å; K439-Q443 WeakPolarHBondContact O-CG 3.3Å; K439-Q443 PolarHBondContact O-N 3.26Å
440T73.1Confident69.5Low61 Ų61121.6 Ų121.637%0.37456%0.555SS.*Hα-helixtrans-64.6-39.7176-57.60000112.2T436 E438 Q443 R444T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.32Å; T436-T440 VanDerWaalsContact O-OG1 3.1Å; E438-T440 PolarHBondContact O-N 3.46Å; T440-Q443 PolarHBondContact O-N 3.49Å; T440-R444 PolarHBondContact O-N 3.26Å
441R73.2Confident67.4Low190 Ų190125.6 Ų125.672%0.71757%0.574SS**Hα-helixtrans-60.6-45.3172.3-82.7178.7162.3-178.1-6.2111.8K437 E438 Q443 R444 R445K437-R441 WeakPolarHBondContact O-CG 3.48Å; K437-R441 PolarHBondContact O-N 3.3Å; E438-R441 WeakPolarHBondContact O-CB 3.37Å; E438-R441 PolarHBondContact O-N 3.45Å; R441-Q443 VanDerWaalsContact C-N 3.31Å; R441-Q443 PolarHBondContact O-N 3.14Å; R441-R444 PolarHBondContact O-N 3.24Å; R441-R445 WeakPolarHBondContact O-CB 3.4Å; R441-R445 WeakPolarHBondContact O-CD 3.47Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.35Å; R441-R445 PolarHBondContact O-N 2.82Å; R441-R445 VanDerWaalsContact O-N 3.1Å
442L66Low65.2Low99 Ų99130.3 Ų130.352%0.51861%0.607SS.*Hα-helixtrans-66.2-28.8177.7-72.8166.3000113.3E438 K439E438-L442 HydrophobicContact CG-CD1 4.15Å; E438-L442 WeakPolarHBondContact O-CG 3.4Å; E438-L442 PolarHBondContact O-N 2.86Å; K439-L442 PolarHBondContact O-N 3.2Å
443Q65.6Low63.6Low114 Ų114130.3 Ų130.353%0.53361%0.611SS.*Hα-helixtrans-78.1-42.3174.6-73.1-176.5-9000112.7K439 T440 R441 R445 R446K439-Q443 WeakPolarHBondContact O-CG 3.3Å; K439-Q443 PolarHBondContact O-N 3.26Å; T440-Q443 PolarHBondContact O-N 3.49Å; R441-Q443 VanDerWaalsContact C-N 3.31Å; R441-Q443 PolarHBondContact O-N 3.14Å; Q443-R445 VanDerWaalsContact C-N 3.34Å; Q443-R445 PolarHBondContact O-N 2.87Å; Q443-R446 PolarHBondContact O-N 2.75Å; Q443-R446 VanDerWaalsContact O-N 3.08Å
444R61.8Low61.7Low168 Ų168133.5 Ų133.563%0.63463%0.63SS**Hα-helixtrans-60.3-43.8175-72-175.3-179.5-179.7-1.5111.7T440 R441 R446 M447 E448T440-R444 PolarHBondContact O-N 3.26Å; R441-R444 PolarHBondContact O-N 3.24Å; R444-R446 PolarHBondContact O-N 3.47Å; R444-M447 PolarHBondContact O-N 3.48Å; R444-E448 PolarHBondContact O-N 3.4Å
445R56Low60.1Low151 Ų151132.7 Ų132.757%0.5763%0.628SS**THydrogen-bonded Turntrans-60.1-1.2172.3-75172159.2-129.5-10116.2R441 Q443 E455R441-R445 WeakPolarHBondContact O-CB 3.4Å; R441-R445 WeakPolarHBondContact O-CD 3.47Å; R441-R445 VanDerWaalsContact O-CG 3.27Å; R441-R445 WeakPolarHBondContact O-CG 3.35Å; R441-R445 PolarHBondContact O-N 2.82Å; R441-R445 VanDerWaalsContact O-N 3.1Å; Q443-R445 VanDerWaalsContact C-N 3.34Å; Q443-R445 PolarHBondContact O-N 2.87Å; R445-E455 IonicContact CZ-OE1 2.67Å; R445-E455 IonicContact NH1-OE1 2.68Å; R445-E455 PolarHBondContact NH1-OE1 3.11Å; R445-E455 IonicContact NH2-OE1 2.74Å; R445-E455 PolarHBondContact NH2-OE1 3.43Å
446R56.1Low58.8Low220 Ų220132.9 Ų132.983%0.8364%0.642SS**THydrogen-bonded Turntrans-112.1-0.8171.8-69.8-175.5-175.4-1691.3113.7Q443 R444Q443-R446 PolarHBondContact O-N 2.75Å; Q443-R446 VanDerWaalsContact O-N 3.08Å; R444-R446 PolarHBondContact O-N 3.47Å
447M56.9Low57.5Low170 Ų170133.9 Ų133.984%0.83764%0.64SS**THydrogen-bonded Turntrans-117.4-10.9178.5-64.4-173.669.100112.9R444R444-M447 PolarHBondContact O-N 3.48Å
448E49.5Very low56.4Low143 Ų143136.4 Ų136.467%0.66865%0.651SS**  trans-125.2102.4-178-66.9170.7154.700110.6R444R444-E448 PolarHBondContact O-N 3.4Å
449E48.1Very low56.5Low179 Ų179141.3 Ų141.384%0.83667%0.666SS**  trans-158.8154.7153.3-98.2-139.5130.500108.1
450P52.1Low56.8Low105 Ų105142.1 Ų142.168%0.68267%0.67SS**SBendcis-118.8179.622.743-33.6000115.9
451Q43.8Very low57.5Low182 Ų182143.8 Ų143.885%0.8568%0.676SS**SBendtrans74.179.9162.1-65.3178.5-26.900118.8
452S38.5Very low57.8Low104 Ų104134.9 Ų134.973%0.72764%0.643SS**  -171.599.5126.5176.40000110.6T454S452-T454 PolarHBondContact O-N 2.7Å
453D48.4Very low58.3Low119 Ų119132.1 Ų132.164%0.63663%0.628SS**  trans-8379.3-169-155.5-9.9000113.4K457D453-K457 IonicContact OD1-NZ 3.98Å; D453-K457 PolarHBondContact OD1-NZ 3.05Å; D453-K457 IonicContact OD2-NZ 3.43Å; D453-K457 PolarHBondContact OD2-NZ 3.14Å
454T43.4Very low58.1Low127 Ų127131.3 Ų131.378%0.77962%0.621SS**  trans-120.937161.956.90000111.8S452 T456S452-T454 PolarHBondContact O-N 2.7Å; T454-T456 PolarHBondContact O-N 2.65Å
455E47.8Very low58.6Low83 Ų83129 Ų12939%0.38862%0.618SS.*  trans-64.4127162.5-179.5179-143.500109.5R445 K457R445-E455 IonicContact CZ-OE1 2.67Å; R445-E455 IonicContact NH1-OE1 2.68Å; R445-E455 PolarHBondContact NH1-OE1 3.11Å; R445-E455 IonicContact NH2-OE1 2.74Å; R445-E455 PolarHBondContact NH2-OE1 3.43Å; E455-K457 HydrophobicContact CB-CG 4.18Å; E455-K457 HydrophobicContact CG-CG 3.92Å; E455-K457 PolarHBondContact O-N 3.24Å; E455-K457 VanDerWaalsContact OE2-CE 3.25Å; E455-K457 WeakPolarHBondContact OE2-CE 3.31Å; E455-K457 VanDerWaalsContact OE2-CG 3.25Å; E455-K457 WeakPolarHBondContact OE2-CG 3.35Å
456T48.2Very low59.2Low128 Ų128124.1 Ų124.179%0.78560%0.603SS**  trans-7175.3164.353.50000109.8T454 K458T454-T456 PolarHBondContact O-N 2.65Å; T456-K458 PolarHBondContact O-N 2.88Å
457K50.3Low60.3Low94 Ų94118.5 Ų118.541%0.40959%0.593SS.*  trans-57.2103.3176.4-80.3163.7173.6151.80108.7D453 E455 Y459D453-K457 IonicContact OD1-NZ 3.98Å; D453-K457 PolarHBondContact OD1-NZ 3.05Å; D453-K457 IonicContact OD2-NZ 3.43Å; D453-K457 PolarHBondContact OD2-NZ 3.14Å; E455-K457 HydrophobicContact CB-CG 4.18Å; E455-K457 HydrophobicContact CG-CG 3.92Å; E455-K457 PolarHBondContact O-N 3.24Å; E455-K457 VanDerWaalsContact OE2-CE 3.25Å; E455-K457 WeakPolarHBondContact OE2-CE 3.31Å; E455-K457 VanDerWaalsContact OE2-CG 3.25Å; E455-K457 WeakPolarHBondContact OE2-CG 3.35Å; K457-Y459 WeakPolarHBondContact O-CD2 3.33Å; K457-Y459 PolarHBondContact O-N 2.91Å
458K56.1Low61.3Low194 Ų194111.1 Ų111.184%0.84356%0.557SS**  trans-72.296.2176.8-72.4-170.5176.2-173.40108.7T456 F460T456-K458 PolarHBondContact O-N 2.88Å; K458-F460 PolarHBondContact O-N 2.91Å
459Y77.8Confident62.7Low222 Ų222107.7 Ų107.787%0.87155%0.546SS*.  trans-52.3121.6173.5-60.6-76.9000110.1K457K457-Y459 WeakPolarHBondContact O-CD2 3.33Å; K457-Y459 PolarHBondContact O-N 2.91Å
460F80.1Confident64.1Low132 Ų132108 Ų10858%0.57955%0.545SS*.  trans-116.3104.8-174.1174.4-98.5000109.3K458 I496 P500K458-F460 PolarHBondContact O-N 2.91Å; F460-I496 HydrophobicContact CE2-CD1 4.4Å; F460-I496 HydrophobicContact CZ-CD1 3.79Å; F460-P500 WeakPolarHBondContact O-CD 3.44Å
461L86.8Confident65.4Low95 Ų95108.2 Ų108.250%0.49754%0.544SS..  trans-80.3-19.6178.2-175.756.1000112.7I463 S499 P500 A501L461-I463 HydrophobicContact CB-CG1 4.4Å; L461-I463 HydrophobicContact CD2-CD1 3.72Å; L461-I463 HydrophobicContact CD2-CG1 4.07Å; L461-I463 HydrophobicContact CG-CD1 4.32Å; L461-I463 HydrophobicContact CG-CG1 4.15Å; L461-S499 PolarHBondContact O-OG 3.21Å; L461-P500 HydrophobicContact CD1-CB 4.25Å; L461-A501 HydrophobicContact CD1-CB 4.01Å; L461-A501 HydrophobicContact CG-CB 4.13Å; L461-A501 WeakPolarHBondContact O-CB 3.31Å; L461-A501 PolarHBondContact O-N 2.96Å
462G81.2Confident66.6Low3 Ų3100.5 Ų100.53%0.03151%0.509CS..  trans79.712.4176.600000116.6I496 S499G462-I496 VanDerWaalsContact O-CB 3.28Å; G462-I496 WeakPolarHBondContact O-CB 3.15Å; G462-I496 VanDerWaalsContact O-CG1 3.26Å; G462-I496 WeakPolarHBondContact O-CG1 3.44Å; G462-I496 PolarHBondContact O-N 3.34Å; G462-S499 WeakPolarHBondContact CA-OG 3.14Å
463I75.6Confident68.6Low41 Ų4196.3 Ų96.321%0.2148%0.478CS..EExtended strand (participates in β ladder)trans-93.5141.2172.655.2173.5000112.6L461 M465 V492 Q494 V495 A501L461-I463 HydrophobicContact CB-CG1 4.4Å; L461-I463 HydrophobicContact CD2-CD1 3.72Å; L461-I463 HydrophobicContact CD2-CG1 4.07Å; L461-I463 HydrophobicContact CG-CD1 4.32Å; L461-I463 HydrophobicContact CG-CG1 4.15Å; I463-M465 HydrophobicContact CD1-CG 3.66Å; I463-M465 HydrophobicContact CD1-SD 3.67Å; I463-M465 HydrophobicContact CG1-CG 3.89Å; I463-M465 HydrophobicContact CG1-SD 4.19Å; I463-V492 HydrophobicContact CB-CG1 4.04Å; I463-V492 HydrophobicContact CD1-CG2 4.24Å; I463-V492 HydrophobicContact CG2-CG1 3.75Å; I463-V492 HydrophobicContact CG2-CG2 4.42Å; I463-Q494 WeakPolarHBondContact CA-O 3.28Å; I463-V495 HydrophobicContact CG2-CG2 4.45Å; I463-A501 HydrophobicContact CG2-CB 3.54Å
464R62.1Low70Confident97 Ų9793.6 Ų93.637%0.36647%0.472SS..EExtended strand (participates in β ladder)trans-92.4115.4163.8-177.8172.4163.6159.1-4.6108.7Q493 Q494R464-Q493 HydrophobicContact CG-CB 4.44Å; R464-Q493 VanDerWaalsContact CZ-OE1 3.29Å; R464-Q493 PolarHBondContact O-N 3.02Å; R464-Q494 HydrophobicContact CB-CB 3.83Å; R464-Q494 PolarHBondContact N-O 2.8Å
465M72.5Confident71.6Confident119 Ų11991.7 Ų91.759%0.58646%0.455SS*.EExtended strand (participates in β ladder)trans-102.1141.3-173.8-70.2-176.3-69.600112I463 V490 L491I463-M465 HydrophobicContact CD1-CG 3.66Å; I463-M465 HydrophobicContact CD1-SD 3.67Å; I463-M465 HydrophobicContact CG1-CG 3.89Å; I463-M465 HydrophobicContact CG1-SD 4.19Å; M465-V490 HydrophobicContact CB-CG1 3.5Å; M465-V490 HydrophobicContact CG-CG1 3.59Å; M465-V490 HydrophobicContact SD-CG1 3.94Å; M465-L491 WeakPolarHBondContact CA-O 3.46Å
466I68.3Low73Confident49 Ų4988.5 Ų88.525%0.25144%0.44SS..EExtended strand (participates in β ladder)trans-127.5129.2164.5-62.4174000108.2T285 I468 L472 V490 L491 Q493T285-I466 HydrophobicContact CG2-CD1 3.78Å; I466-I468 PolarHBondContact O-N 3.46Å; I466-L472 HydrophobicContact CG2-CD2 3.46Å; I466-L472 VanDerWaalsContact CG2-CD2 3.46Å; I466-V490 CarbonylContact O-C 3.54Å; I466-V490 WeakPolarHBondContact O-CA 3.33Å; I466-L491 PolarHBondContact N-O 3.34Å; I466-L491 PolarHBondContact O-N 3.07Å; I466-Q493 HydrophobicContact CD1-CB 4.16Å; I466-Q493 HydrophobicContact CD1-CG 4.33Å; I466-Q493 VanDerWaalsContact CD1-OE1 3.29Å; I466-Q493 HydrophobicContact CG1-CB 4.48Å
467T78.2Confident74.5Confident102 Ų10285.9 Ų85.963%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-66.5130.2175.5-50.70000110.5T469T467-T469 PolarHBondContact O-N 3.16Å
468I77.7Confident75.8Confident15 Ų1588.8 Ų88.88%0.07744%0.437CS..  trans-64.2131.6174.2-68.2-65.3000109.6I466 T473 F483 V486 G489 L491I466-I468 PolarHBondContact O-N 3.46Å; I468-T473 WeakPolarHBondContact CG2-OG1 3.33Å; I468-F483 HydrophobicContact CD1-CZ 4.36Å; I468-V486 HydrophobicContact CD1-CG2 3.96Å; I468-V486 HydrophobicContact CG1-CG2 4.12Å; I468-V486 HydrophobicContact CG2-CG2 3.98Å; I468-G489 WeakPolarHBondContact CB-O 3.26Å; I468-G489 PolarHBondContact N-O 2.94Å; I468-L491 HydrophobicContact CD1-CB 4.04Å
469T79.1Confident76.6Confident71 Ų7185.2 Ų85.244%0.43642%0.423SS..  trans-133.6155.5171.968.60000108.9T467 V471 L472 T473T467-T469 PolarHBondContact O-N 3.16Å; T469-V471 PolarHBondContact O-N 2.91Å; T469-V471 VanDerWaalsContact O-N 3.16Å; T469-L472 PolarHBondContact O-N 3.46Å; T469-L472 WeakPolarHBondContact OG1-CB 3Å; T469-L472 PolarHBondContact OG1-N 2.03Å; T469-T473 PolarHBondContact O-N 3.22Å; T469-T473 PolarHBondContact O-OG1 3.45Å
470K78.4Confident76.7Confident185 Ų18578.4 Ų78.480%0.80440%0.402SS*.Hα-helixtrans-56.4-34.5-178.1-65.5-173.3176.9-1750113.5A474K470-A474 WeakPolarHBondContact O-CB 3.17Å; K470-A474 PolarHBondContact O-N 3.1Å
471V78.9Confident77Confident110 Ų11077.5 Ų77.567%0.66741%0.409SS*.Hα-helixtrans-67.5-47.5175.3-177.10000110.2T469 A474 E475T469-V471 PolarHBondContact O-N 2.91Å; T469-V471 VanDerWaalsContact O-N 3.16Å; V471-A474 PolarHBondContact O-N 3.26Å; V471-E475 PolarHBondContact O-N 3.42Å
472L69.9Low77.1Confident21 Ų2180.2 Ų80.211%0.1143%0.425CS..Hα-helixtrans-65.1-40.9180-175.864000112.7T285 I466 T469 A474 E475 L476T285-L472 HydrophobicContact CG2-CD1 3.83Å; I466-L472 HydrophobicContact CG2-CD2 3.46Å; I466-L472 VanDerWaalsContact CG2-CD2 3.46Å; T469-L472 PolarHBondContact O-N 3.46Å; T469-L472 WeakPolarHBondContact OG1-CB 3Å; T469-L472 PolarHBondContact OG1-N 2.03Å; L472-A474 VanDerWaalsContact C-N 3.28Å; L472-A474 PolarHBondContact O-N 3Å; L472-E475 PolarHBondContact O-N 3.47Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.25Å; L472-L476 HydrophobicContact CD2-CD1 4.45Å; L472-L476 HydrophobicContact CG-CD1 3.81Å; L472-L476 HydrophobicContact CG-CG 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.3Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.78Å
473T79.1Confident77.1Confident15 Ų1581.5 Ų81.59%0.09243%0.429CS..Hα-helixtrans-61.8-38.1175.2-50.60000111.3I468 T469 K477 F483 V486I468-T473 WeakPolarHBondContact CG2-OG1 3.33Å; T469-T473 PolarHBondContact O-N 3.22Å; T469-T473 PolarHBondContact O-OG1 3.45Å; T473-K477 WeakPolarHBondContact O-CB 3.1Å; T473-K477 PolarHBondContact O-N 3.04Å; T473-F483 HydrophobicContact CG2-CE1 4.33Å; T473-V486 HydrophobicContact CG2-CG2 4.41Å; T473-V486 PolarHBondContact OG1-O 3.41Å
474A79.1Confident77.6Confident62 Ų6283.3 Ų83.351%0.51244%0.444SS..Hα-helixtrans-70.1-40.1176.800000112.5K470 V471 L472 L478K470-A474 WeakPolarHBondContact O-CB 3.17Å; K470-A474 PolarHBondContact O-N 3.1Å; V471-A474 PolarHBondContact O-N 3.26Å; L472-A474 VanDerWaalsContact C-N 3.28Å; L472-A474 PolarHBondContact O-N 3Å; A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 2.89Å
475E77.6Confident78.7Confident88 Ų8886.6 Ų86.641%0.41146%0.463SS..Hα-helixtrans-65.9-42175.2-171.8177174.500111.8V471 L472 L478 Q479V471-E475 PolarHBondContact O-N 3.42Å; L472-E475 PolarHBondContact O-N 3.47Å; E475-L478 PolarHBondContact O-N 2.85Å; E475-Q479 PolarHBondContact O-N 2.98Å
476L76.6Confident79.4Confident16 Ų1683.3 Ų83.38%0.08445%0.45CS..Hα-helixtrans-64.9-47.5176.5-72.8166.8000111.9T285 L472 L478 Q479 D480 F483 L491T285-L476 HydrophobicContact CG2-CD2 4.23Å; T285-L476 WeakPolarHBondContact OG1-CD2 3.34Å; L472-L476 HydrophobicContact CD1-CD1 4.15Å; L472-L476 HydrophobicContact CD1-CG 4.25Å; L472-L476 HydrophobicContact CD2-CD1 4.45Å; L472-L476 HydrophobicContact CG-CD1 3.81Å; L472-L476 HydrophobicContact CG-CG 4.36Å; L472-L476 WeakPolarHBondContact O-CB 3.3Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.45Å; L472-L476 PolarHBondContact O-N 2.78Å; L476-L478 PolarHBondContact O-N 3.09Å; L476-L478 VanDerWaalsContact O-N 3.16Å; L476-Q479 PolarHBondContact O-N 3.34Å; L476-D480 PolarHBondContact O-N 3.34Å; L476-F483 HydrophobicContact CB-CD1 3.92Å; L476-F483 HydrophobicContact CB-CD2 4.21Å; L476-F483 HydrophobicContact CB-CE1 4.13Å; L476-F483 HydrophobicContact CB-CE2 4.41Å; L476-F483 HydrophobicContact CB-CG 3.98Å; L476-F483 HydrophobicContact CB-CZ 4.38Å; L476-F483 HydrophobicContact CD1-CE1 3.97Å; L476-F483 HydrophobicContact CD1-CE2 3.97Å; L476-F483 HydrophobicContact CD1-CZ 3.63Å; L476-L491 HydrophobicContact CD1-CD2 3.89Å; L476-L491 HydrophobicContact CD2-CD2 4.44Å
477K79.9Confident79.9Confident73 Ų7386.2 Ų86.232%0.31747%0.474SS..Hα-helixtrans-59.7-23.5173.9-84.8-166.6166.8-1600114.1T473 D480 F483 E485T473-K477 WeakPolarHBondContact O-CB 3.1Å; T473-K477 PolarHBondContact O-N 3.04Å; K477-D480 WeakPolarHBondContact CA-O 3.33Å; K477-F483 VanDerWaalsContact CE-O 3.32Å; K477-F483 WeakPolarHBondContact CE-O 3.39Å; K477-F483 HydrophobicContact CG-CB 4.28Å; K477-F483 HydrophobicContact CG-CD1 4.4Å; K477-E485 VanDerWaalsContact NZ-CD 3.35Å; K477-E485 IonicContact NZ-OE2 3.07Å; K477-E485 PolarHBondContact NZ-OE2 2.78Å
478L77.8Confident80.2Confident154 Ų15485.4 Ų85.481%0.80647%0.473SS*.Hα-helixtrans-84.4-20.6177.2-168.4143.2000112.5A474 E475 L476A474-L478 WeakPolarHBondContact O-CB 3.49Å; A474-L478 PolarHBondContact O-N 2.89Å; E475-L478 PolarHBondContact O-N 2.85Å; L476-L478 PolarHBondContact O-N 3.09Å; L476-L478 VanDerWaalsContact O-N 3.16Å
479Q73Confident80.6Confident119 Ų11986.6 Ų86.656%0.55649%0.489SS*.Hα-helixtrans-93-33.5172.6-66.6178.815.400112.6E475 L476E475-Q479 PolarHBondContact O-N 2.98Å; L476-Q479 PolarHBondContact O-N 3.34Å
480D78.8Confident80.6Confident80 Ų8087 Ų8743%0.42849%0.491SS..  trans-137.3101.1-177.6-177.5-2.6000109.6L476 K477 D482 F483L476-D480 PolarHBondContact O-N 3.34Å; K477-D480 WeakPolarHBondContact CA-O 3.33Å; D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 2.86Å; D480-F483 HydrophobicContact CB-CB 4.35Å; D480-F483 VanDerWaalsContact O-CB 3.23Å; D480-F483 WeakPolarHBondContact O-CB 3.41Å; D480-F483 PolarHBondContact O-N 3.09Å; D480-F483 VanDerWaalsContact O-N 3.09Å
481P86.5Confident80.6Confident112 Ų11280 Ų8073%0.72746%0.462SS*.THydrogen-bonded Turntrans-61.7-24.2-177.5-25.635.8000114.8F483P481-F483 VanDerWaalsContact C-N 3.26Å; P481-F483 PolarHBondContact O-N 3.31Å
482D88.6Confident80.7Confident153 Ų15378.1 Ų78.182%0.81845%0.451SS*.THydrogen-bonded Turntrans-84-1.2179.7-67.9-29.7000112.1D480D480-D482 PolarHBondContact O-N 2.92Å; D480-D482 PolarHBondContact OD1-N 2.86Å
483F82.5Confident80.5Confident29 Ų2978.3 Ų78.313%0.12745%0.451CS..  trans-63125.2179.5-170.1-90.6000111.8I468 T473 L476 K477 D480 P481 V486 L491I468-F483 HydrophobicContact CD1-CZ 4.36Å; T473-F483 HydrophobicContact CG2-CE1 4.33Å; L476-F483 HydrophobicContact CB-CD1 3.92Å; L476-F483 HydrophobicContact CB-CD2 4.21Å; L476-F483 HydrophobicContact CB-CE1 4.13Å; L476-F483 HydrophobicContact CB-CE2 4.41Å; L476-F483 HydrophobicContact CB-CG 3.98Å; L476-F483 HydrophobicContact CB-CZ 4.38Å; L476-F483 HydrophobicContact CD1-CE1 3.97Å; L476-F483 HydrophobicContact CD1-CE2 3.97Å; L476-F483 HydrophobicContact CD1-CZ 3.63Å; K477-F483 VanDerWaalsContact CE-O 3.32Å; K477-F483 WeakPolarHBondContact CE-O 3.39Å; K477-F483 HydrophobicContact CG-CB 4.28Å; K477-F483 HydrophobicContact CG-CD1 4.4Å; D480-F483 HydrophobicContact CB-CB 4.35Å; D480-F483 VanDerWaalsContact O-CB 3.23Å; D480-F483 WeakPolarHBondContact O-CB 3.41Å; D480-F483 PolarHBondContact O-N 3.09Å; D480-F483 VanDerWaalsContact O-N 3.09Å; P481-F483 VanDerWaalsContact C-N 3.26Å; P481-F483 PolarHBondContact O-N 3.31Å; F483-V486 HydrophobicContact CE1-CG2 3.98Å; F483-V486 HydrophobicContact CZ-CG2 4.45Å; F483-L491 HydrophobicContact CE2-CD1 3.96Å; F483-L491 HydrophobicContact CZ-CD1 4.22Å
484P85.4Confident79.7Confident80 Ų8079.1 Ų79.152%0.51945%0.454SS..  trans-65.9146.8-169.925.9-35.4000113.1V486P484-V486 VanDerWaalsContact C-N 3.35Å; P484-V486 PolarHBondContact O-N 3.28Å
485E85.6Confident79.3Confident165 Ų16578.9 Ų78.977%0.77145%0.446SS*.  trans-7782.5179.8-170.9136.3-164.200112.2K477K477-E485 VanDerWaalsContact NZ-CD 3.35Å; K477-E485 IonicContact NZ-OE2 3.07Å; K477-E485 PolarHBondContact NZ-OE2 2.78Å
486V85.7Confident78.6Confident51 Ų5177.7 Ų77.731%0.30944%0.442SS..  trans-98.4123.1179.2-70.80000112.1I468 T473 F483 P484I468-V486 HydrophobicContact CD1-CG2 3.96Å; I468-V486 HydrophobicContact CG1-CG2 4.12Å; I468-V486 HydrophobicContact CG2-CG2 3.98Å; T473-V486 HydrophobicContact CG2-CG2 4.41Å; T473-V486 PolarHBondContact OG1-O 3.41Å; F483-V486 HydrophobicContact CE1-CG2 3.98Å; F483-V486 HydrophobicContact CZ-CG2 4.45Å; P484-V486 VanDerWaalsContact C-N 3.35Å; P484-V486 PolarHBondContact O-N 3.28Å
487S80.3Confident77.9Confident109 Ų10979 Ų7976%0.76245%0.451SS*.SBendtrans-81.3-23.6178.459.40000113.6
488S84.1Confident77.7Confident86 Ų8685.3 Ų85.360%0.60148%0.479SS*.SBendtrans-158.1168.317564.30000109.5
489G85.5Confident78Confident39 Ų3978.5 Ų78.540%0.40244%0.444SS..  trans137.9-162.9179.300000112.9I468I468-G489 WeakPolarHBondContact CB-O 3.26Å; I468-G489 PolarHBondContact N-O 2.94Å
490V79.6Confident78.8Confident81 Ų8177.6 Ų77.649%0.49145%0.448SS..EExtended strand (participates in β ladder)trans-134.6122.3178.7177.20000109.3M465 I466M465-V490 HydrophobicContact CB-CG1 3.5Å; M465-V490 HydrophobicContact CG-CG1 3.59Å; M465-V490 HydrophobicContact SD-CG1 3.94Å; I466-V490 CarbonylContact O-C 3.54Å; I466-V490 WeakPolarHBondContact O-CA 3.33Å
491L78.8Confident78.8Confident36 Ų3675.6 Ų75.619%0.18844%0.443CS..EExtended strand (participates in β ladder)trans-76.7125.5169.6-179.168.5000109.6T285 M465 I466 I468 L476 F483 Q493T285-L491 HydrophobicContact CG2-CD2 3.86Å; M465-L491 WeakPolarHBondContact CA-O 3.46Å; I466-L491 PolarHBondContact N-O 3.34Å; I466-L491 PolarHBondContact O-N 3.07Å; I468-L491 HydrophobicContact CD1-CB 4.04Å; L476-L491 HydrophobicContact CD1-CD2 3.89Å; L476-L491 HydrophobicContact CD2-CD2 4.44Å; F483-L491 HydrophobicContact CE2-CD1 3.96Å; F483-L491 HydrophobicContact CZ-CD1 4.22Å; L491-Q493 PolarHBondContact O-N 3.4Å
492V81.6Confident78.5Confident72 Ų7278.1 Ų78.144%0.43645%0.445SS..EExtended strand (participates in β ladder)trans-80.893.7165.3178.80000107.7I463 Q494 V495I463-V492 HydrophobicContact CB-CG1 4.04Å; I463-V492 HydrophobicContact CD1-CG2 4.24Å; I463-V492 HydrophobicContact CG2-CG1 3.75Å; I463-V492 HydrophobicContact CG2-CG2 4.42Å; V492-Q494 VanDerWaalsContact C-N 3.3Å; V492-Q494 PolarHBondContact O-N 2.88Å; V492-V495 HydrophobicContact CG1-CG2 4.07Å
493Q65.6Low78Confident24 Ų2474.4 Ų74.411%0.11243%0.426CS..EExtended strand (participates in β ladder)trans-67.4-33.9179.8-176.8-179.620.100111.9V286 R464 I466 L491V286-Q493 PolarHBondContact O-NE2 2.9Å; V286-Q493 VanDerWaalsContact O-NE2 3.17Å; R464-Q493 HydrophobicContact CG-CB 4.44Å; R464-Q493 VanDerWaalsContact CZ-OE1 3.29Å; R464-Q493 PolarHBondContact O-N 3.02Å; I466-Q493 HydrophobicContact CD1-CB 4.16Å; I466-Q493 HydrophobicContact CD1-CG 4.33Å; I466-Q493 VanDerWaalsContact CD1-OE1 3.29Å; I466-Q493 HydrophobicContact CG1-CB 4.48Å; L491-Q493 PolarHBondContact O-N 3.4Å
494Q61.3Low77.8Confident32 Ų3276.7 Ų76.715%0.1544%0.442CS..EExtended strand (participates in β ladder)trans-154.7136.4-173-158.9-150.4-61.600110.3R289 I463 R464 V492R289-Q494 HydrophobicContact CG-CG 4.39Å; I463-Q494 WeakPolarHBondContact CA-O 3.28Å; R464-Q494 HydrophobicContact CB-CB 3.83Å; R464-Q494 PolarHBondContact N-O 2.8Å; V492-Q494 VanDerWaalsContact C-N 3.3Å; V492-Q494 PolarHBondContact O-N 2.88Å
495V71.1Confident77.4Confident57 Ų5776.6 Ų76.635%0.34544%0.437SS..EExtended strand (participates in β ladder)trans-94.8145.5162.2-1800000108.8I463 V492 A501 E502I463-V495 HydrophobicContact CG2-CG2 4.45Å; V492-V495 HydrophobicContact CG1-CG2 4.07Å; V495-A501 HydrophobicContact CG1-CB 4.37Å; V495-A501 VanDerWaalsContact CG1-O 3.26Å; V495-A501 WeakPolarHBondContact CG1-O 3.21Å; V495-E502 HydrophobicContact CG1-CB 3.88Å
496I61.6Low76.9Confident64 Ų6471.4 Ų71.433%0.32842%0.418SS..PPolyproline II helixtrans-98.6127.1173-65.6168.6000107.9F460 G462 S499F460-I496 HydrophobicContact CE2-CD1 4.4Å; F460-I496 HydrophobicContact CZ-CD1 3.79Å; G462-I496 VanDerWaalsContact O-CB 3.28Å; G462-I496 WeakPolarHBondContact O-CB 3.15Å; G462-I496 VanDerWaalsContact O-CG1 3.26Å; G462-I496 WeakPolarHBondContact O-CG1 3.44Å; G462-I496 PolarHBondContact O-N 3.34Å; I496-S499 VanDerWaalsContact O-CB 3.22Å; I496-S499 WeakPolarHBondContact O-CB 3.45Å; I496-S499 PolarHBondContact O-N 2.91Å; I496-S499 PolarHBondContact O-OG 3.17Å
497P62.3Low76.3Confident42 Ų4272.6 Ų72.627%0.27343%0.425SS..THydrogen-bonded Turntrans-63.7152.7-179.3-22.431.7000113.5S499 E502P497-S499 PolarHBondContact O-N 3.12Å; P497-E502 VanDerWaalsContact CA-CD 3.42Å; P497-E502 WeakPolarHBondContact CA-OE1 3.4Å; P497-E502 WeakPolarHBondContact CA-OE2 3.28Å; P497-E502 VanDerWaalsContact CB-OE1 3.28Å; P497-E502 WeakPolarHBondContact CB-OE1 3.43Å; P497-E502 WeakPolarHBondContact CB-OE2 3.26Å
498K76.1Confident76.1Confident207 Ų20770.2 Ų70.290%0.940%0.402SS*.THydrogen-bonded Turntrans55.733.7-176.1-50-175.4-180-172.90112.3E502K498-E502 PolarHBondContact N-OE2 3.43Å
499S84.3Confident75.5Confident10 Ų1069.1 Ų69.17%0.0739%0.388CS..SBendtrans-114.4164.6170.2780000110L461 G462 I496 P497 A501 E502L461-S499 PolarHBondContact O-OG 3.21Å; G462-S499 WeakPolarHBondContact CA-OG 3.14Å; I496-S499 VanDerWaalsContact O-CB 3.22Å; I496-S499 WeakPolarHBondContact O-CB 3.45Å; I496-S499 PolarHBondContact O-N 2.91Å; I496-S499 PolarHBondContact O-OG 3.17Å; P497-S499 PolarHBondContact O-N 3.12Å; S499-A501 PolarHBondContact O-N 3.04Å; S499-E502 PolarHBondContact O-N 2.94Å; S499-E502 VanDerWaalsContact O-N 3.13Å
500P88.9Confident74.7Confident100 Ų10071.4 Ų71.465%0.64939%0.387SS*.THydrogen-bonded Turntrans-67.59.3-177-20.634.3000116.4F460 L461F460-P500 WeakPolarHBondContact O-CD 3.44Å; L461-P500 HydrophobicContact CD1-CB 4.25Å
501A80.1Confident74.3Confident38 Ų3870.6 Ų70.631%0.31438%0.378SS..THydrogen-bonded Turntrans-121.96.2175.500000113.8L461 I463 V495 S499L461-A501 HydrophobicContact CD1-CB 4.01Å; L461-A501 HydrophobicContact CG-CB 4.13Å; L461-A501 WeakPolarHBondContact O-CB 3.31Å; L461-A501 PolarHBondContact O-N 2.96Å; I463-A501 HydrophobicContact CG2-CB 3.54Å; V495-A501 HydrophobicContact CG1-CB 4.37Å; V495-A501 VanDerWaalsContact CG1-O 3.26Å; V495-A501 WeakPolarHBondContact CG1-O 3.21Å; S499-A501 PolarHBondContact O-N 3.04Å
502E80.5Confident73.9Confident165 Ų16573.7 Ų73.777%0.77140%0.395SS*.  trans-98.30161.9-177.8177.5-108.600109.5V495 P497 K498 S499V495-E502 HydrophobicContact CG1-CB 3.88Å; P497-E502 VanDerWaalsContact CA-CD 3.42Å; P497-E502 WeakPolarHBondContact CA-OE1 3.4Å; P497-E502 WeakPolarHBondContact CA-OE2 3.28Å; P497-E502 VanDerWaalsContact CB-OE1 3.28Å; P497-E502 WeakPolarHBondContact CB-OE1 3.43Å; P497-E502 WeakPolarHBondContact CB-OE2 3.26Å; K498-E502 PolarHBondContact N-OE2 3.43Å; S499-E502 PolarHBondContact O-N 2.94Å; S499-E502 VanDerWaalsContact O-N 3.13Å

Retrieved 502 of 502 residues in 88.3 ms (Link to these results)