A0A087YG94_POEFO Loading...

U3 small nucleolar RNA-interacting protein 2

Component of a nucleolar small nuclear ribonucleoprotein particle (snoRNP) thought to participate in the processing and modification of pre-ribosomal RNA (pre-rRNA). Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A087YG94, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 482 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.6Very low35.2Very low239 Ų239137.8 Ų137.8100%1.17775%0.749SS**  0126.80-63173.7-168.800106.3
2S35.3Very low34.7Very low113 Ų113143.3 Ų143.379%0.7976%0.76SS**  64127.488.8-143.30000112.1
3S34.6Very low36.4Very low88 Ų88140.5 Ų140.562%0.61576%0.755SS**  cis-165.9137.1-7.226.50000110.8
4S38.5Very low36Very low93 Ų93144.1 Ų144.165%0.6576%0.761SS**  31.9134.6117.7-39.70000119.8
5F34.7Very low35.6Very low169 Ų169142.3 Ų142.374%0.74176%0.758SS**  164.6116.1111.4-95.5-93.2000106.5
6F37.4Very low35.3Very low165 Ų165140.7 Ų140.772%0.72476%0.755SS**  71.5156.877.1-83.1-59.8000112.4
7I38.4Very low35.1Very low104 Ų104143.1 Ų143.153%0.53376%0.757SS.*  cis-159.6136.323.5-142.2150.3000114.7
8K34.9Very low34.9Very low157 Ų157147.1 Ų147.168%0.68377%0.767SS**  trans56178.5144.8-66.9172.1-158.7155.60119.2
9T34.6Very low34.7Very low112 Ų112143.5 Ų143.569%0.68777%0.77SS**  cis-151.5128.12.7-7.50000109.4
10K33.4Very low34.5Very low203 Ų203145.6 Ų145.688%0.88377%0.771SS**  68.7132.789.8-69.1-170.2179.4-1760119.4
11G27.6Very low34.4Very low73 Ų73146 Ų14675%0.75377%0.769SS**  trans137.3116.1158.100000112.3
12K29.8Very low34Very low203 Ų203140.7 Ų140.788%0.88375%0.75SS**  cis68.3146.113.5-84.2-161.2177.7-170.40116.6
13P56Low33.7Very low108 Ų108139.9 Ų139.970%0.70175%0.75SS**  cis-144.6-173.1-48.240.2-21.1000113.6
14K30.7Very low33.5Very low191 Ų191139.8 Ų139.883%0.8376%0.755SS**  trans-177.2124.2154.7-97.7146.7-177.9-177.80108.8
15T31.1Very low33.1Very low117 Ų117141.5 Ų141.572%0.71876%0.761SS**  61.1125.367.168.90000113.2
16T30.2Very low32.9Very low116 Ų116141.6 Ų141.671%0.71276%0.761SS**  -172.2174.359.641.90000111
17K32.8Very low32.5Very low182 Ų182143.7 Ų143.779%0.79176%0.764SS**  cis-170.9138.3-5.1-108.1162.2-174.9175.10109.4
18K31.5Very low32Very low215 Ų215148.1 Ų148.194%0.93578%0.78SS**  trans61.8165.5159.8-64-173174.6-171.50117.2
19G29.3Very low31.8Very low79 Ų79143.6 Ų143.681%0.81477%0.771SS**  cis-144.7-150.38.500000115.3
20K32.3Very low31.5Very low185 Ų185145.7 Ų145.780%0.80478%0.778SS**  trans-129176.5-159.4-128.9-171.1179.8-163.60112.8
21E30.8Very low31.2Very low154 Ų154139.8 Ų139.872%0.7278%0.775SS**  trans68.9158.8166.8-75.2134.5-127.300116.9
22T29.8Very low31.3Very low128 Ų128143.5 Ų143.579%0.78578%0.778SS**  174.7156.5-5431.10000107.3
23A29.8Very low31.3Very low95 Ų95138.7 Ų138.779%0.78577%0.77SS**  trans82.6116.3158.100000120.9
24A29.5Very low29.9Very low87 Ų87137.7 Ų137.772%0.71978%0.779SS**  71.9105.6118.100000122.7
25V31.5Very low29.8Very low128 Ų128132.4 Ų132.478%0.77678%0.779SS**  64146.5108.4166.20000120.5
26K29.2Very low29.9Very low171 Ų171135.5 Ų135.574%0.74379%0.785SS**  trans77.6156.2171.5-77.6158.6-177.7175.90115.9
27R28.8Very low30.1Very low210 Ų210134.8 Ų134.879%0.79279%0.785SS**  cis-179.1150.9-30.2-114-171-168.9167.1-0.7106.5
28K29.4Very low30.2Very low197 Ų197134.6 Ų134.686%0.85778%0.784SS**  trans63.6165.6158.1-78-157.4165.7-155.80116.1
29A29.2Very low30.3Very low62 Ų62131.4 Ų131.451%0.51278%0.776SS.*  cis-168.3170.3-29.600000108.8
30D29.2Very low30.3Very low155 Ų155139.5 Ų139.583%0.82978%0.782SS**  trans64.4129.7161.1-43.8-40000115.4
31G27.1Very low30.4Very low80 Ų80134.3 Ų134.383%0.82577%0.774SS**  103.1144.68100000108.9
32D29.6Very low30.6Very low151 Ų151136.7 Ų136.781%0.80778%0.782SS**  cis-161.11711.7178.334.1000109.6
33S29.4Very low30.8Very low101 Ų101140.2 Ų140.271%0.70679%0.786SS**  trans73.9113.4153.374.40000122
34G26.4Very low30.9Very low88 Ų88141.2 Ų141.291%0.90779%0.787SS**  71.3114115.200000121.8
35G28.6Very low31Very low79 Ų79142.2 Ų142.281%0.81479%0.789SS**  trans-161.256.6177.700000118.3
36Q33.2Very low31.1Very low182 Ų182141.2 Ų141.285%0.8579%0.787SS**  trans27.9126.1158.9-58.8-169.810.200123.2
37S33.8Very low31.3Very low101 Ų101142.1 Ų142.171%0.70679%0.791SS**  trans76.2155.1132.882.50000120.5
38K35.5Very low31.5Very low179 Ų179141.2 Ų141.278%0.77879%0.789SS**  cis-162.3132.2-11.8-117.3171.5-175.21730112.5
39I34.8Very low31.7Very low148 Ų148138 Ų13876%0.75978%0.782SS**  trans50.7119.8139.3-55.5167.3000121.9
40R29.6Very low32Very low248 Ų248142.8 Ų142.894%0.93679%0.793SS**  trans-166.1140.5134.7-110.8-176.4157.5178.6-6.2109
41A33.8Very low32.2Very low77 Ų77143.2 Ų143.264%0.63679%0.791SS**  cis-163.3154-21.800000111.8
42K35.6Very low32.8Very low204 Ų204146 Ų14689%0.88779%0.785SS**  trans43.4123.3158.7-61.5179179.1-177.20119.7
43K33.7Very low32.8Very low201 Ų201143.9 Ų143.987%0.87478%0.782SS**  73.3112.255.7-87-160.9169.7-172.20116.5
44S30.8Very low33.2Very low117 Ų117144.3 Ų144.382%0.81879%0.785SS**  -108.3-156.512761.70000109
45S31.7Very low33.5Very low108 Ų108147.2 Ų147.276%0.75578%0.78SS**  trans-163.3155.7-173.3490000116.2
46S34Very low34.1Very low106 Ų106147.8 Ų147.874%0.74177%0.771SS**  trans-64.1148.2166.6163.40000114
47K33Very low34.2Very low190 Ų190147.4 Ų147.483%0.82677%0.769SS**  trans-166.1123.2130.4-112.1-175.1174.6-165.60114.4
48Y32.8Very low34.3Very low191 Ų191149.7 Ų149.775%0.74978%0.779SS**  trans51.8141.9136.5-84.4-110.5000123.6
49N34Very low34.2Very low131 Ų131149.8 Ų149.870%0.70178%0.782SS**  trans21.6151.9141.6-52.312.5000120.2
50E34.5Very low34.4Very low162 Ų162147.5 Ų147.576%0.75778%0.779SS**  cis-156.6153.747.3-75.1171.7163.300113.4
51E34.9Very low34.9Very low164 Ų164141.6 Ų141.677%0.76677%0.773SS**  trans49.8156.3132-60.5-171.1177.800122.7
52I38.6Very low35Very low139 Ų139143.9 Ų143.971%0.71378%0.779SS**  cis-162.9173.6-10.2-112.5170.5000110.5
53S30.4Very low34.8Very low106 Ų106140.6 Ų140.674%0.74178%0.776SS**  trans78.2135.7168.1-125.20000117.4
54S37Very low35Very low110 Ų110136.1 Ų136.177%0.76977%0.77SS**  cis84.3104.915.8-164.70000116.7
55D34.3Very low35.1Very low149 Ų149140.6 Ų140.680%0.79778%0.775SS**  trans-161.3160.3132.4-140.4-21.8000113.8
56S40.1Very low35.1Very low91 Ų91145 Ų14564%0.63678%0.78SS**  trans-22.1173.6160.452.60000122
57E36.1Very low35.1Very low173 Ų173151.9 Ų151.981%0.80879%0.79SS**  cis-170.1160.3-27.4-96.5-155157.100107.7
58V35.4Very low35.1Very low150 Ų150152 Ų15291%0.90979%0.793SS**  trans-146.8136.7159.4-1720000110.9
59E33.9Very low35.4Very low180 Ų180147.8 Ų147.884%0.84180%0.798SS**  trans-81.1165.2-172.6-63.9-175.5107.100116.6
60S37.3Very low35.4Very low101 Ų101151 Ų15171%0.70681%0.806SS**  trans-83.3167.9173.266.70000114.6
61P41.5Very low35.7Very low124 Ų124152.4 Ų152.481%0.80581%0.813SS**  trans-113.1151.2142.135.4-29.3000113
62T35Very low36.1Very low124 Ų124153.1 Ų153.176%0.76182%0.816SS**  trans-82.1166.717363.60000110.9
63V31.7Very low36.2Very low136 Ų136153.7 Ų153.782%0.82482%0.819SS**  -152.515677.4164.70000111.6
64S37.3Very low37Very low106 Ų106157.5 Ų157.574%0.74183%0.825SS**  trans-62.9153.1-16757.80000119
65K33.2Very low37.6Very low211 Ų211160.8 Ų160.892%0.91783%0.826SS**  trans-149.9154.9138.5-114.4162.7-173.1170.70111.9
66K31.2Very low38.3Very low202 Ų202162.6 Ų162.688%0.87883%0.829SS**  trans-55.9142-164.6-67.6172.4172.9177.70114.8
67R34.9Very low39.1Very low250 Ų250161.6 Ų161.694%0.94382%0.815SS**  trans-56.4132.6153.6-83.1177.5164.7167.4-6.7110
68Q32.4Very low41.2Very low192 Ų192156.2 Ų156.290%0.89779%0.794SS**  trans-120.2142.1145.7-87.6-175.5-40.300107.1
69A40.1Very low43.2Very low103 Ų103154.1 Ų154.185%0.85178%0.783SS**  trans-76.7135.6-17300000111.8
70K34.3Very low44.8Very low199 Ų199153.1 Ų153.187%0.86578%0.779SS**  trans-130.7132.6148.8-105.8-175.7170.8-173.60106.6E72K70-E72 PolarHBondContact O-N 3.2Å
71E40.8Very low46.8Very low191 Ų191153.4 Ų153.489%0.89377%0.769SS**  trans-82.293.8179.7-66166.4136.100108.3
72E41.8Very low48.5Very low178 Ų178153.3 Ų153.383%0.83276%0.756SS**  trans-82.6122.7158.4-69.7-173166.500107.4K70 E74K70-E72 PolarHBondContact O-N 3.2Å; E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.97Å
73I41.6Very low50.7Low152 Ų152155 Ų15578%0.77975%0.752SS**  trans-76.990.8-179.8-60.2174.5000107.2F75I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 HydrophobicContact CG2-CD2 4.41Å; I73-F75 PolarHBondContact O-N 3.41Å
74E47Very low53Low185 Ų185153.2 Ų153.286%0.86474%0.738SS**  trans-68.787.4175.4-170.2164.5-146.500109.7E72 E76E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.97Å; E74-E76 PolarHBondContact O-N 2.9Å
75F49.3Very low55.3Low179 Ų179154.4 Ų154.479%0.78573%0.726SS**  trans-63.4124.3162.9-117.5-94000108I73 E77I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 HydrophobicContact CG2-CD2 4.41Å; I73-F75 PolarHBondContact O-N 3.41Å; F75-E77 PolarHBondContact O-N 2.78Å
76E50Low57.8Low187 Ų187149.3 Ų149.387%0.87471%0.708SS**  trans-69.574.6172-66.9-171.4137.700110.2E74 T78E74-E76 PolarHBondContact O-N 2.9Å; E76-T78 PolarHBondContact O-N 2.71Å
77E56.2Low60.3Low71 Ų71142.1 Ų142.133%0.33269%0.686SS.*  trans-53.3124.3170-77.9-172.4166.400109.1F75 K82 R85F75-E77 PolarHBondContact O-N 2.78Å; E77-K82 HydrophobicContact CB-CB 4.44Å; E77-R85 VanDerWaalsContact CD-NH1 3.31Å; E77-R85 WeakPolarHBondContact OE1-CD 3.32Å; E77-R85 IonicContact OE1-CZ 3.68Å; E77-R85 IonicContact OE1-NE 2.71Å; E77-R85 IonicContact OE1-NH1 2.71Å; E77-R85 PolarHBondContact OE1-NH1 2.9Å; E77-R85 IonicContact OE2-NH1 3.28Å; E77-R85 PolarHBondContact OE2-NH1 3.32Å
78T80.5Confident62.8Low60 Ų60136 Ų13637%0.36867%0.666SS.*  trans-61.9153.4175.163.10000110.3E76 Q80 E81 K82E76-T78 PolarHBondContact O-N 2.71Å; T78-Q80 PolarHBondContact O-N 3.28Å; T78-E81 VanDerWaalsContact CB-OE2 3.27Å; T78-E81 WeakPolarHBondContact CB-OE2 3.34Å; T78-E81 VanDerWaalsContact CG2-OE2 3.28Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.49Å; T78-E81 PolarHBondContact N-OE2 3.35Å; T78-E81 PolarHBondContact O-N 2.62Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.36Å; T78-E81 PolarHBondContact OG1-N 2.92Å; T78-E81 PolarHBondContact OG1-OE2 3Å; T78-K82 PolarHBondContact O-N 2.79Å
79P77.1Confident65.5Low106 Ų106130.7 Ų130.769%0.68864%0.644SS**Hα-helixtrans-58.2-12.8175.6-26.435.4000114.6K83P79-K83 WeakPolarHBondContact O-CD 3.28Å; P79-K83 VanDerWaalsContact O-CG 3.31Å; P79-K83 WeakPolarHBondContact O-CG 3.27Å
80Q68.4Low67.6Low159 Ų159132.7 Ų132.774%0.74363%0.63SS**Hα-helixtrans-88.1-44.9175.6-65.9168.3-3.800111T78 K83 L84T78-Q80 PolarHBondContact O-N 3.28Å; Q80-K83 PolarHBondContact O-N 3.05Å; Q80-L84 WeakPolarHBondContact O-CB 3.31Å; Q80-L84 PolarHBondContact O-N 3.02Å
81E78.1Confident69.9Low107 Ų107128.1 Ų128.150%0.562%0.615SS.*Hα-helixtrans-64-43.8174.7-72.2160.4132.100111.9T78 K83 L84 R85T78-E81 VanDerWaalsContact CB-OE2 3.27Å; T78-E81 WeakPolarHBondContact CB-OE2 3.34Å; T78-E81 VanDerWaalsContact CG2-OE2 3.28Å; T78-E81 WeakPolarHBondContact CG2-OE2 3.49Å; T78-E81 PolarHBondContact N-OE2 3.35Å; T78-E81 PolarHBondContact O-N 2.62Å; T78-E81 VanDerWaalsContact OG1-CD 3.31Å; T78-E81 WeakPolarHBondContact OG1-CG 3.36Å; T78-E81 PolarHBondContact OG1-N 2.92Å; T78-E81 PolarHBondContact OG1-OE2 3Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 3.22Å; E81-L84 CarbonylContact O-C 3.54Å; E81-L84 WeakPolarHBondContact O-CA 3.46Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.4Å; E81-R85 PolarHBondContact O-N 3.36Å
82K78.4Confident72.2Confident122 Ų122124 Ų12453%0.5360%0.596SS.*Hα-helixtrans-60.7-38.3176.6-169.3165.9-174.8167.60112.3E77 T78 L86E77-K82 HydrophobicContact CB-CB 4.44Å; T78-K82 PolarHBondContact O-N 2.79Å; K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 2.83Å; K82-L86 VanDerWaalsContact O-N 3.1Å
83K79.9Confident74.5Confident158 Ų158121.3 Ų121.369%0.68758%0.583SS**Hα-helixtrans-66.1-42.1171.4-79.9179.3178.9-1780112.1P79 Q80 E81 R85 L86 A87P79-K83 WeakPolarHBondContact O-CD 3.28Å; P79-K83 VanDerWaalsContact O-CG 3.31Å; P79-K83 WeakPolarHBondContact O-CG 3.27Å; Q80-K83 PolarHBondContact O-N 3.05Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 3.22Å; K83-R85 VanDerWaalsContact C-N 3.33Å; K83-R85 PolarHBondContact O-N 2.89Å; K83-L86 PolarHBondContact O-N 3.06Å; K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 2.99Å
84L81.4Confident76.5Confident100 Ų100117 Ų11752%0.52456%0.562SS.*Hα-helixtrans-67.4-32.9178.8-170.2146.8000112Q80 E81 K88Q80-L84 WeakPolarHBondContact O-CB 3.31Å; Q80-L84 PolarHBondContact O-N 3.02Å; E81-L84 CarbonylContact O-C 3.54Å; E81-L84 WeakPolarHBondContact O-CA 3.46Å; E81-L84 PolarHBondContact O-N 3.24Å; L84-K88 HydrophobicContact CD2-CD 4.03Å; L84-K88 WeakPolarHBondContact O-CG 3.38Å; L84-K88 PolarHBondContact O-N 3.41Å
85R84.1Confident78.3Confident131 Ų131114.9 Ų114.949%0.49455%0.549SS..Hα-helixtrans-67.7-46.5172.7-162.2-178.4104.5-174.28.9112E77 E81 K83 K88 L89E77-R85 VanDerWaalsContact CD-NH1 3.31Å; E77-R85 WeakPolarHBondContact OE1-CD 3.32Å; E77-R85 IonicContact OE1-CZ 3.68Å; E77-R85 IonicContact OE1-NE 2.71Å; E77-R85 IonicContact OE1-NH1 2.71Å; E77-R85 PolarHBondContact OE1-NH1 2.9Å; E77-R85 IonicContact OE2-NH1 3.28Å; E77-R85 PolarHBondContact OE2-NH1 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.4Å; E81-R85 PolarHBondContact O-N 3.36Å; K83-R85 VanDerWaalsContact C-N 3.33Å; K83-R85 PolarHBondContact O-N 2.89Å; R85-K88 PolarHBondContact O-N 3.03Å; R85-L89 WeakPolarHBondContact O-CG 3.36Å; R85-L89 PolarHBondContact O-N 3.1Å
86L86.1Confident80.1Confident104 Ų104111.4 Ų111.455%0.54554%0.536SS..Hα-helixtrans-64.9-38.9175.3-70.6169.3000112.1K82 K83 L89 Y90K82-L86 WeakPolarHBondContact O-CG 3.47Å; K82-L86 PolarHBondContact O-N 2.83Å; K82-L86 VanDerWaalsContact O-N 3.1Å; K83-L86 PolarHBondContact O-N 3.06Å; L86-L89 PolarHBondContact O-N 3.31Å; L86-Y90 WeakPolarHBondContact O-CB 3.48Å; L86-Y90 PolarHBondContact O-N 2.93Å
87A83.9Confident81.6Confident50 Ų50108.8 Ų108.841%0.41352%0.523SS..Hα-helixtrans-65.3-36.7174.700000112.6K83 L91K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.47Å; K83-A87 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.1Å
88K86.8Confident82.6Confident121 Ų121112.2 Ų112.253%0.52654%0.539SS..Hα-helixtrans-63.3-50.6171.8-80.1174.7174.3177.10111.9L84 R85 Y90 L91 E92L84-K88 HydrophobicContact CD2-CD 4.03Å; L84-K88 WeakPolarHBondContact O-CG 3.38Å; L84-K88 PolarHBondContact O-N 3.41Å; R85-K88 PolarHBondContact O-N 3.03Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.32Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.01Å; K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.4Å
89L90.3Very high82.7Confident82 Ų82115.5 Ų115.543%0.42955%0.55SS.*Hα-helixtrans-57.8-40.3178.3-73.3165.8000112.1R85 L86 E92 Q93R85-L89 WeakPolarHBondContact O-CG 3.36Å; R85-L89 PolarHBondContact O-N 3.1Å; L86-L89 PolarHBondContact O-N 3.31Å; L89-E92 PolarHBondContact O-N 2.88Å; L89-Q93 WeakPolarHBondContact O-CG 3.27Å; L89-Q93 PolarHBondContact O-N 3.5Å
90Y83.6Confident83Confident144 Ų144115.3 Ų115.357%0.56554%0.539SS*.Hα-helixtrans-67.8-37175.5-173.2-108.9000112.8L86 K88 E92 L94L86-Y90 WeakPolarHBondContact O-CB 3.48Å; L86-Y90 PolarHBondContact O-N 2.93Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.32Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-L94 HydrophobicContact CD1-CD1 3.88Å; Y90-L94 HydrophobicContact CE1-CD1 3.49Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L94 HydrophobicContact CE1-CG 4.19Å; Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.32Å; Y90-L94 PolarHBondContact O-N 3.2Å
91L82.4Confident83.7Confident104 Ų104113.5 Ų113.555%0.54553%0.529SS..Hα-helixtrans-71.7-26.3173.2-73.1168.5000113.2A87 K88 K95A87-L91 WeakPolarHBondContact O-CB 3.39Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.26Å; A87-L91 PolarHBondContact O-N 3.1Å; K88-L91 CarbonylContact O-C 3.53Å; K88-L91 PolarHBondContact O-N 3.01Å; L91-K95 WeakPolarHBondContact O-CB 3.45Å; L91-K95 WeakPolarHBondContact O-CD 3.49Å; L91-K95 VanDerWaalsContact O-CG 3.26Å; L91-K95 WeakPolarHBondContact O-CG 3.27Å; L91-K95 PolarHBondContact O-N 3.15Å
92E89.6Confident83.7Confident105 Ų105111.1 Ų111.149%0.49153%0.527SS..Hα-helixtrans-75.2-42.9172.8-74.5160.1-178.800110.4K88 L89 Y90 K95 E96K88-E92 WeakPolarHBondContact O-CG 3.36Å; K88-E92 PolarHBondContact O-N 3.4Å; L89-E92 PolarHBondContact O-N 2.88Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; E92-K95 WeakPolarHBondContact O-CB 3.2Å; E92-K95 PolarHBondContact O-N 3.17Å; E92-E96 PolarHBondContact O-N 2.94Å
93Q89.2Confident83.8Confident121 Ų121111 Ų11157%0.56553%0.529SS*.Hα-helixtrans-61.4-46.8172.4-74.1179.7-42.800112.7L89 K95 E96 E97L89-Q93 WeakPolarHBondContact O-CG 3.27Å; L89-Q93 PolarHBondContact O-N 3.5Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.74Å; Q93-E96 PolarHBondContact O-N 2.96Å; Q93-E97 PolarHBondContact O-N 3.35Å
94L84.8Confident83.6Confident62 Ų62108.8 Ų108.833%0.32552%0.524SS..Hα-helixtrans-60.2-36.9175.6-76.9173.9000112.3Y90 E97 E98Y90-L94 HydrophobicContact CD1-CD1 3.88Å; Y90-L94 HydrophobicContact CE1-CD1 3.49Å; Y90-L94 VanDerWaalsContact CE1-CD1 3.49Å; Y90-L94 HydrophobicContact CE1-CG 4.19Å; Y90-L94 WeakPolarHBondContact O-CB 3.44Å; Y90-L94 WeakPolarHBondContact O-CG 3.32Å; Y90-L94 PolarHBondContact O-N 3.2Å; L94-E97 PolarHBondContact O-N 3.27Å; L94-E98 WeakPolarHBondContact O-CB 3.14Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.03Å
95K83.2Confident83.3Confident139 Ų139108.8 Ų108.860%0.60452%0.521SS*.Hα-helixtrans-67.1-44174.3-81.1172.9175.1-174.50112.4L91 E92 Q93 E97 E98 E99L91-K95 WeakPolarHBondContact O-CB 3.45Å; L91-K95 WeakPolarHBondContact O-CD 3.49Å; L91-K95 VanDerWaalsContact O-CG 3.26Å; L91-K95 WeakPolarHBondContact O-CG 3.27Å; L91-K95 PolarHBondContact O-N 3.15Å; E92-K95 WeakPolarHBondContact O-CB 3.2Å; E92-K95 PolarHBondContact O-N 3.17Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.74Å; K95-E97 VanDerWaalsContact C-N 3.25Å; K95-E97 PolarHBondContact O-N 3.22Å; K95-E98 PolarHBondContact O-N 3.39Å; K95-E99 WeakPolarHBondContact O-CB 3.2Å; K95-E99 PolarHBondContact O-N 3.3Å
96E87.3Confident82.9Confident107 Ų107105.3 Ų105.350%0.552%0.517SS..Hα-helixtrans-61.9-34175.4-84.2-164.4-148.800112.5E92 Q93 K100E92-E96 PolarHBondContact O-N 2.94Å; Q93-E96 PolarHBondContact O-N 2.96Å; E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 VanDerWaalsContact O-CD 3.27Å; E96-K100 WeakPolarHBondContact O-CD 3.47Å; E96-K100 WeakPolarHBondContact O-CG 3.5Å; E96-K100 PolarHBondContact O-N 3.35Å; E96-K100 VanDerWaalsContact O-N 3.11Å; E96-K100 IonicContact OE2-NZ 3.9Å; E96-K100 PolarHBondContact OE2-NZ 3.11Å
97E82.3Confident82.4Confident131 Ų131106.6 Ų106.661%0.61252%0.519SS*.Hα-helixtrans-73.4-42.5174.8-71.9-176.1168.900112.2Q93 L94 K95 K101Q93-E97 PolarHBondContact O-N 3.35Å; L94-E97 PolarHBondContact O-N 3.27Å; K95-E97 VanDerWaalsContact C-N 3.25Å; K95-E97 PolarHBondContact O-N 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.37Å; E97-K101 PolarHBondContact O-N 2.84Å
98E76.9Confident81.8Confident144 Ų144110.3 Ų110.367%0.67353%0.527SS*.Hα-helixtrans-66.1-37.3174.1-75-174.8156.300112.4L94 K95 A102L94-E98 WeakPolarHBondContact O-CB 3.14Å; L94-E98 WeakPolarHBondContact O-CG 3.47Å; L94-E98 PolarHBondContact O-N 3.03Å; K95-E98 PolarHBondContact O-N 3.39Å; E98-A102 VanDerWaalsContact O-CB 3.31Å; E98-A102 WeakPolarHBondContact O-CB 3.01Å; E98-A102 PolarHBondContact O-N 3.34Å
99E83.1Confident81.3Confident128 Ų128108.5 Ų108.560%0.59853%0.527SS*.Hα-helixtrans-69.9-50179.4-171.6161.4-136.400111.1K95 K101 A102 E103K95-E99 WeakPolarHBondContact O-CB 3.2Å; K95-E99 PolarHBondContact O-N 3.3Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.1Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 3.11Å; E99-A102 VanDerWaalsContact O-N 3.1Å; E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 3.06Å
100K83.3Confident80.9Confident102 Ų102110.3 Ų110.344%0.44354%0.537SS..Hα-helixtrans-58.2-41.6173.6-72.2163.8-165.5147.30112E96 A102 E103 D104E96-K100 WeakPolarHBondContact O-CB 3.45Å; E96-K100 VanDerWaalsContact O-CD 3.27Å; E96-K100 WeakPolarHBondContact O-CD 3.47Å; E96-K100 WeakPolarHBondContact O-CG 3.5Å; E96-K100 PolarHBondContact O-N 3.35Å; E96-K100 VanDerWaalsContact O-N 3.11Å; E96-K100 IonicContact OE2-NZ 3.9Å; E96-K100 PolarHBondContact OE2-NZ 3.11Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 2.88Å; K100-E103 WeakPolarHBondContact O-CB 3.34Å; K100-E103 PolarHBondContact O-N 3.24Å; K100-D104 PolarHBondContact O-N 3.47Å
101K82.7Confident80.7Confident122 Ų122108.3 Ų108.353%0.5354%0.535SS..Hα-helixtrans-66.9-34.4177.4-173.4170.1-177.1-74.60112.4E97 E99 E105E97-K101 WeakPolarHBondContact O-CB 3.37Å; E97-K101 PolarHBondContact O-N 2.84Å; E99-K101 VanDerWaalsContact C-N 3.3Å; E99-K101 PolarHBondContact O-N 3.1Å; K101-E105 IonicContact NZ-OE1 2.87Å; K101-E105 PolarHBondContact NZ-OE1 2.9Å; K101-E105 WeakPolarHBondContact O-CB 3.42Å; K101-E105 WeakPolarHBondContact O-CG 3.46Å; K101-E105 PolarHBondContact O-N 2.6Å
102A78.3Confident80.6Confident57 Ų57108.5 Ų108.547%0.47154%0.536SS..Hα-helixtrans-71.8-34.8172.800000112.3E98 E99 K100 S106E98-A102 VanDerWaalsContact O-CB 3.31Å; E98-A102 WeakPolarHBondContact O-CB 3.01Å; E98-A102 PolarHBondContact O-N 3.34Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 PolarHBondContact O-N 3.11Å; E99-A102 VanDerWaalsContact O-N 3.1Å; K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 2.88Å; A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.09Å; A102-S106 PolarHBondContact O-OG 2.61Å
103E80.4Confident80.3Confident120 Ų120105.9 Ų105.956%0.56153%0.532SS*.Hα-helixtrans-62.1-51.1170.6-71.2-177.4143.800110.7E99 K100 S106 F107E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 3.06Å; K100-E103 WeakPolarHBondContact O-CB 3.34Å; K100-E103 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 2.87Å; E103-F107 WeakPolarHBondContact O-CB 3.34Å; E103-F107 PolarHBondContact O-N 2.83Å
104D75.9Confident79.9Confident110 Ų110101.8 Ų101.859%0.58852%0.522SS*.Hα-helixtrans-57.9-50.4176.3-74.6-30.3000112.1K100 S106 F107 E108K100-D104 PolarHBondContact O-N 3.47Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 2.97Å; D104-F107 PolarHBondContact O-N 3.38Å; D104-E108 PolarHBondContact O-N 2.78Å
105E75.8Confident79.8Confident101 Ų101107 Ų10747%0.47254%0.537SS..Hα-helixtrans-61.1-38.2176.4-77179.3-162.100111.5K101 T109K101-E105 IonicContact NZ-OE1 2.87Å; K101-E105 PolarHBondContact NZ-OE1 2.9Å; K101-E105 WeakPolarHBondContact O-CB 3.42Å; K101-E105 WeakPolarHBondContact O-CG 3.46Å; K101-E105 PolarHBondContact O-N 2.6Å; E105-T109 WeakPolarHBondContact O-CG2 3.21Å; E105-T109 PolarHBondContact O-N 3.45Å; E105-T109 PolarHBondContact O-OG1 2.96Å
106S75.9Confident79.8Confident58 Ų58105.1 Ų105.141%0.40653%0.534SS..Hα-helixtrans-65.4-43176.377.80000111.9A102 E103 D104 T109 D110A102-S106 WeakPolarHBondContact O-CB 3.34Å; A102-S106 PolarHBondContact O-N 3.09Å; A102-S106 PolarHBondContact O-OG 2.61Å; E103-S106 PolarHBondContact O-N 3.43Å; E103-S106 PolarHBondContact O-OG 2.87Å; D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 PolarHBondContact O-N 2.97Å; S106-T109 WeakPolarHBondContact CA-OG1 3.48Å; S106-T109 PolarHBondContact O-N 3.43Å; S106-T109 VanDerWaalsContact O-N 3.13Å; S106-T109 PolarHBondContact O-OG1 3.39Å; S106-D110 PolarHBondContact O-N 3.24Å
107F74.4Confident79.4Confident131 Ų131106.1 Ų106.158%0.57554%0.538SS*.Hα-helixtrans-64.8-40.6178.4-177.9-109.3000111.9E103 D104 D110 L111E103-F107 WeakPolarHBondContact O-CB 3.34Å; E103-F107 PolarHBondContact O-N 2.83Å; D104-F107 PolarHBondContact O-N 3.38Å; F107-D110 PolarHBondContact O-N 2.9Å; F107-L111 HydrophobicContact CD1-CD1 3.9Å; F107-L111 HydrophobicContact CE1-CD1 3.52Å; F107-L111 HydrophobicContact CE1-CG 4.28Å; F107-L111 HydrophobicContact CE2-CG 4.48Å; F107-L111 HydrophobicContact CZ-CD1 3.89Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.48Å; F107-L111 PolarHBondContact O-N 2.94Å
108E71.8Confident79.2Confident127 Ų127105.2 Ų105.259%0.59353%0.534SS*.Hα-helixtrans-60.9-44169.9-73.1-160.8161.700111.7D104 D110 L111 I112D104-E108 PolarHBondContact O-N 2.78Å; E108-D110 PolarHBondContact O-N 2.71Å; E108-L111 PolarHBondContact O-N 2.92Å; E108-I112 WeakPolarHBondContact O-CB 3.31Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.44Å; E108-I112 PolarHBondContact O-N 3.44Å
109T75.6Confident79.2Confident84 Ų84102.1 Ų102.152%0.51552%0.52SS..Hα-helixtrans-65.4-36.2178.159.30000113.5E105 S106 I112 A113E105-T109 WeakPolarHBondContact O-CG2 3.21Å; E105-T109 PolarHBondContact O-N 3.45Å; E105-T109 PolarHBondContact O-OG1 2.96Å; S106-T109 WeakPolarHBondContact CA-OG1 3.48Å; S106-T109 PolarHBondContact O-N 3.43Å; S106-T109 VanDerWaalsContact O-N 3.13Å; S106-T109 PolarHBondContact O-OG1 3.39Å; T109-I112 PolarHBondContact O-N 2.89Å; T109-A113 WeakPolarHBondContact O-CB 3.39Å; T109-A113 PolarHBondContact O-N 3.15Å
110D82Confident78.9Confident119 Ų11998.1 Ų98.164%0.63650%0.504SS*.Hα-helixtrans-71.9-37.1176.3-92.8-3.3000112.1S106 F107 E108 A113 G114S106-D110 PolarHBondContact O-N 3.24Å; F107-D110 PolarHBondContact O-N 2.9Å; E108-D110 PolarHBondContact O-N 2.71Å; D110-A113 PolarHBondContact O-N 3.34Å; D110-G114 PolarHBondContact O-N 3.19Å
111L80.9Confident78.5Confident103 Ų10396 Ų9654%0.53950%0.497SS..Hα-helixtrans-62.7-44.2170.6-75.7176.3000111.8F107 E108 G114 R115F107-L111 HydrophobicContact CD1-CD1 3.9Å; F107-L111 HydrophobicContact CE1-CD1 3.52Å; F107-L111 HydrophobicContact CE1-CG 4.28Å; F107-L111 HydrophobicContact CE2-CG 4.48Å; F107-L111 HydrophobicContact CZ-CD1 3.89Å; F107-L111 HydrophobicContact CZ-CD2 4.44Å; F107-L111 HydrophobicContact CZ-CG 4.25Å; F107-L111 WeakPolarHBondContact O-CB 3.27Å; F107-L111 WeakPolarHBondContact O-CG 3.48Å; F107-L111 PolarHBondContact O-N 2.94Å; E108-L111 PolarHBondContact O-N 2.92Å; L111-G114 PolarHBondContact O-N 2.6Å; L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 PolarHBondContact O-N 2.9Å
112I80Confident78Confident108 Ų10893.6 Ų93.655%0.55449%0.487SS*.Hα-helixtrans-65.9-42.5176.9-69164.9000110.5E108 T109 L116E108-I112 WeakPolarHBondContact O-CB 3.31Å; E108-I112 WeakPolarHBondContact O-CD1 3.4Å; E108-I112 WeakPolarHBondContact O-CG1 3.44Å; E108-I112 PolarHBondContact O-N 3.44Å; T109-I112 PolarHBondContact O-N 2.89Å; I112-L116 VanDerWaalsContact O-CB 3.23Å; I112-L116 WeakPolarHBondContact O-CB 3.23Å; I112-L116 PolarHBondContact O-N 2.6Å
113A82.2Confident77.5Confident50 Ų5097.7 Ų97.741%0.41350%0.497SS..Hα-helixtrans-64.8-43.117700000112T109 D110 L116 Q117T109-A113 WeakPolarHBondContact O-CB 3.39Å; T109-A113 PolarHBondContact O-N 3.15Å; D110-A113 PolarHBondContact O-N 3.34Å; A113-L116 PolarHBondContact O-N 3.46Å; A113-Q117 VanDerWaalsContact O-CB 3.26Å; A113-Q117 WeakPolarHBondContact O-CB 3.14Å; A113-Q117 PolarHBondContact O-N 3.05Å
114G81.9Confident76.7Confident34 Ų3497.6 Ų97.635%0.35150%0.495SS..Hα-helixtrans-60.6-49.7175.100000111.9D110 L111 L116 Q117 E118D110-G114 PolarHBondContact O-N 3.19Å; L111-G114 PolarHBondContact O-N 2.6Å; G114-L116 PolarHBondContact O-N 3.19Å; G114-Q117 WeakPolarHBondContact O-CB 3.44Å; G114-Q117 PolarHBondContact O-N 3.47Å; G114-E118 PolarHBondContact O-N 2.99Å
115R81.8Confident76.1Confident171 Ų17192.6 Ų92.665%0.64547%0.469SS*.Hα-helixtrans-59.1-47.1175177.3-179.5166.3162.91.8112.2L111 Q117 E118 E119L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 PolarHBondContact O-N 2.9Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 2.89Å; R115-E118 WeakPolarHBondContact O-CB 3.41Å; R115-E118 PolarHBondContact O-N 3.17Å; R115-E118 VanDerWaalsContact O-N 3.12Å; R115-E119 IonicContact CZ-OE1 2.6Å; R115-E119 IonicContact NE-OE1 2.6Å; R115-E119 PolarHBondContact NE-OE1 3Å; R115-E119 IonicContact NH2-OE1 3.24Å; R115-E119 PolarHBondContact NH2-OE1 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.46Å; R115-E119 PolarHBondContact O-N 2.95Å
116L82.6Confident75.6Confident101 Ų10193.2 Ų93.253%0.52947%0.47SS..Hα-helixtrans-65.5-34179.4-170.9149.9000111.2I112 A113 G114 V120I112-L116 VanDerWaalsContact O-CB 3.23Å; I112-L116 WeakPolarHBondContact O-CB 3.23Å; I112-L116 PolarHBondContact O-N 2.6Å; A113-L116 PolarHBondContact O-N 3.46Å; G114-L116 PolarHBondContact O-N 3.19Å; L116-V120 HydrophobicContact CD2-CG2 4.07Å; L116-V120 VanDerWaalsContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.44Å
117Q80Confident75.5Confident127 Ų12791.5 Ų91.559%0.59346%0.456SS*.Hα-helixtrans-64.8-40.5170.9177.5172.4-32.300112A113 G114 R115 V120 L121A113-Q117 VanDerWaalsContact O-CB 3.26Å; A113-Q117 WeakPolarHBondContact O-CB 3.14Å; A113-Q117 PolarHBondContact O-N 3.05Å; G114-Q117 WeakPolarHBondContact O-CB 3.44Å; G114-Q117 PolarHBondContact O-N 3.47Å; R115-Q117 VanDerWaalsContact C-N 3.28Å; R115-Q117 PolarHBondContact O-N 2.89Å; Q117-V120 PolarHBondContact O-N 2.9Å; Q117-L121 HydrophobicContact CG-CD1 4.01Å; Q117-L121 WeakPolarHBondContact O-CB 3.48Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.89Å
118E77.6Confident75.6Confident113 Ų11388.2 Ų88.253%0.52844%0.443SS..Hα-helixtrans-64.1-47.6173-70.9-163.3159.100112.4G114 R115 V120 L121 E122 L127G114-E118 PolarHBondContact O-N 2.99Å; R115-E118 WeakPolarHBondContact O-CB 3.41Å; R115-E118 PolarHBondContact O-N 3.17Å; R115-E118 VanDerWaalsContact O-N 3.12Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.39Å; E118-L121 CarbonylContact O-C 3.56Å; E118-L121 PolarHBondContact O-N 3.46Å; E118-E122 WeakPolarHBondContact O-CB 3.33Å; E118-E122 PolarHBondContact O-N 3.42Å; E118-L127 HydrophobicContact CB-CD2 4.47Å; E118-L127 HydrophobicContact CG-CD1 4.32Å
119E76.4Confident76.1Confident79 Ų7986.9 Ų86.937%0.36943%0.432SS..Hα-helixtrans-58.4-41.6176.6-70.6179-171.300111R115 E122 Q123R115-E119 IonicContact CZ-OE1 2.6Å; R115-E119 IonicContact NE-OE1 2.6Å; R115-E119 PolarHBondContact NE-OE1 3Å; R115-E119 IonicContact NH2-OE1 3.24Å; R115-E119 PolarHBondContact NH2-OE1 2.82Å; R115-E119 WeakPolarHBondContact O-CG 3.46Å; R115-E119 PolarHBondContact O-N 2.95Å; E119-E122 PolarHBondContact O-N 2.77Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.13Å
120V77.7Confident76.5Confident44 Ų4487.8 Ų87.827%0.26743%0.433SS..Hα-helixtrans-67.8-34.4174.4165.50000112.7L116 Q117 E118 K124L116-V120 HydrophobicContact CD2-CG2 4.07Å; L116-V120 VanDerWaalsContact O-CB 3.27Å; L116-V120 WeakPolarHBondContact O-CB 3.43Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.44Å; Q117-V120 PolarHBondContact O-N 2.9Å; E118-V120 VanDerWaalsContact C-N 3.29Å; E118-V120 PolarHBondContact O-N 3.39Å; V120-K124 HydrophobicContact CG1-CD 3.92Å; V120-K124 WeakPolarHBondContact O-CB 3.47Å; V120-K124 WeakPolarHBondContact O-CD 3.24Å; V120-K124 WeakPolarHBondContact O-CG 3.4Å; V120-K124 PolarHBondContact O-N 3Å; V120-K124 VanDerWaalsContact O-N 3.17Å
121L74.7Confident76.6Confident56 Ų5682.9 Ų82.929%0.29341%0.407SS..Hα-helixtrans-73.6-34.2175.2-76.6169.3000112.1Q117 E118 K124 G125 K126 L127Q117-L121 HydrophobicContact CG-CD1 4.01Å; Q117-L121 WeakPolarHBondContact O-CB 3.48Å; Q117-L121 WeakPolarHBondContact O-CG 3.21Å; Q117-L121 PolarHBondContact O-N 2.89Å; E118-L121 CarbonylContact O-C 3.56Å; E118-L121 PolarHBondContact O-N 3.46Å; L121-K124 PolarHBondContact O-N 2.89Å; L121-G125 PolarHBondContact O-N 2.66Å; L121-K126 HydrophobicContact CD2-CB 3.97Å; L121-K126 PolarHBondContact O-N 2.89Å; L121-L127 HydrophobicContact CB-CB 3.95Å; L121-L127 HydrophobicContact CB-CD1 4.48Å; L121-L127 PolarHBondContact O-N 2.8Å
122E71.4Confident76.6Confident72 Ų7278 Ų7834%0.33638%0.382SS..Hα-helixtrans-66.8-49.8174.3-179.5159.7-148.800110.9E118 E119 K124 G125 L127 R129 N391E118-E122 WeakPolarHBondContact O-CB 3.33Å; E118-E122 PolarHBondContact O-N 3.42Å; E119-E122 PolarHBondContact O-N 2.77Å; E122-K124 PolarHBondContact O-N 3.39Å; E122-G125 PolarHBondContact O-N 2.86Å; E122-L127 HydrophobicContact CB-CB 4.3Å; E122-L127 HydrophobicContact CB-CD2 4.03Å; E122-R129 IonicContact OE1-CZ 3.34Å; E122-R129 VanDerWaalsContact OE1-CZ 3.27Å; E122-R129 IonicContact OE1-NH1 3.66Å; E122-R129 PolarHBondContact OE1-NH1 2.81Å; E122-R129 IonicContact OE1-NH2 3.85Å; E122-R129 PolarHBondContact OE1-NH2 2.83Å; E122-R129 VanDerWaalsContact OE1-NH2 3.09Å; E122-R129 IonicContact OE2-CZ 3.15Å; E122-R129 IonicContact OE2-NH1 2.78Å; E122-R129 IonicContact OE2-NH2 3.27Å; E122-R129 PolarHBondContact OE2-NH2 2.88Å; E122-N391 PolarHBondContact O-ND2 3.31Å
123Q68.2Low76.8Confident144 Ų14479.5 Ų79.567%0.67338%0.384SS*.Hα-helixtrans-56.1-37.6173.9-72.9178.411.800112.7E119 G125E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 3.13Å; Q123-G125 VanDerWaalsContact C-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.4Å
124K64.8Low76.9Confident118 Ų11880.2 Ų80.251%0.51338%0.381SS..THydrogen-bonded Turntrans-76.1-7.4177.9-74.7169.3-176.4166.50114.1V120 L121 E122 K126 R298V120-K124 HydrophobicContact CG1-CD 3.92Å; V120-K124 WeakPolarHBondContact O-CB 3.47Å; V120-K124 WeakPolarHBondContact O-CD 3.24Å; V120-K124 WeakPolarHBondContact O-CG 3.4Å; V120-K124 PolarHBondContact O-N 3Å; V120-K124 VanDerWaalsContact O-N 3.17Å; L121-K124 PolarHBondContact O-N 2.89Å; E122-K124 PolarHBondContact O-N 3.39Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-K126 HydrophobicContact CB-CG 4.38Å; K124-R298 PolarHBondContact O-NH2 2.85Å
125G62Low77.2Confident4 Ų479.3 Ų79.34%0.04137%0.368CS..THydrogen-bonded Turntrans68.830.8-17500000113.3L121 E122 Q123L121-G125 PolarHBondContact O-N 2.66Å; E122-G125 PolarHBondContact O-N 2.86Å; Q123-G125 VanDerWaalsContact C-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.4Å
126K65.8Low77.4Confident114 Ų11474.3 Ų74.350%0.49635%0.354SS..  trans-120.5-17.6-174.2-69.8-156.9170.5-147.40115.1L121 K124 E340L121-K126 HydrophobicContact CD2-CB 3.97Å; L121-K126 PolarHBondContact O-N 2.89Å; K124-K126 VanDerWaalsContact C-N 3.35Å; K124-K126 HydrophobicContact CB-CG 4.38Å; K126-E340 WeakPolarHBondContact CE-OE1 3.41Å; K126-E340 IonicContact NZ-OE1 3.9Å; K126-E340 PolarHBondContact NZ-OE1 2.56Å; K126-E340 VanDerWaalsContact NZ-OE1 3.1Å
127L73Confident77.6Confident23 Ų2373.6 Ų73.612%0.1236%0.355CS..  trans-61.7138166.4-170.564.2000108.7E118 L121 E122 R129 N391E118-L127 HydrophobicContact CB-CD2 4.47Å; E118-L127 HydrophobicContact CG-CD1 4.32Å; L121-L127 HydrophobicContact CB-CB 3.95Å; L121-L127 HydrophobicContact CB-CD1 4.48Å; L121-L127 PolarHBondContact O-N 2.8Å; E122-L127 HydrophobicContact CB-CB 4.3Å; E122-L127 HydrophobicContact CB-CD2 4.03Å; L127-R129 HydrophobicContact CD2-CG 4.48Å; L127-N391 WeakPolarHBondContact O-CB 3.4Å
128Q78.3Confident77.9Confident62 Ų6268.5 Ų68.529%0.2933%0.333SS..  trans-125.7104.2172.7-179.5173.3-4.500109.1L130 N391 Y413Q128-L130 HydrophobicContact CG-CD2 3.92Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-N391 CarbonylContact C-O 3.53Å; Q128-N391 WeakPolarHBondContact CA-O 3.47Å; Q128-Y413 VanDerWaalsContact CD-OH 3.26Å; Q128-Y413 PolarHBondContact NE2-OH 2.89Å
129R80.8Confident78.2Confident98 Ų9867.4 Ų67.437%0.3733%0.331SS..BIsolated β-bridgetrans-75114.5173.9-63.2-176.7170.9123.16.1109.2E122 L127 I131 N391 S392 D393E122-R129 IonicContact OE1-CZ 3.34Å; E122-R129 VanDerWaalsContact OE1-CZ 3.27Å; E122-R129 IonicContact OE1-NH1 3.66Å; E122-R129 PolarHBondContact OE1-NH1 2.81Å; E122-R129 IonicContact OE1-NH2 3.85Å; E122-R129 PolarHBondContact OE1-NH2 2.83Å; E122-R129 VanDerWaalsContact OE1-NH2 3.09Å; E122-R129 IonicContact OE2-CZ 3.15Å; E122-R129 IonicContact OE2-NH1 2.78Å; E122-R129 IonicContact OE2-NH2 3.27Å; E122-R129 PolarHBondContact OE2-NH2 2.88Å; L127-R129 HydrophobicContact CD2-CG 4.48Å; R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 HydrophobicContact CB-CD1 3.69Å; R129-I131 HydrophobicContact CB-CG1 3.94Å; R129-I131 PolarHBondContact O-N 3.49Å; R129-N391 PolarHBondContact N-O 2.94Å; R129-S392 VanDerWaalsContact O-CA 3.27Å; R129-S392 WeakPolarHBondContact O-CA 3.22Å; R129-S392 WeakPolarHBondContact O-CB 3.5Å; R129-D393 PolarHBondContact O-N 2.92Å
130L84.2Confident78.5Confident103 Ų10366.4 Ų66.454%0.53934%0.336SS..  trans-88.666.4-178.2-63.3178.8000111.3Q128 D393Q128-L130 HydrophobicContact CG-CD2 3.92Å; Q128-L130 PolarHBondContact O-N 2.89Å; L130-D393 WeakPolarHBondContact CA-OD2 3.29Å; L130-D393 HydrophobicContact CD2-CB 4.01Å
131I84Confident78.7Confident17 Ų1769.5 Ų69.59%0.08736%0.36CS..  trans-86.7-25.6-171.3-63.3163.2000111.5R129 K133 D134 L135 L389 D393 R470R129-I131 VanDerWaalsContact C-N 3.33Å; R129-I131 HydrophobicContact CB-CD1 3.69Å; R129-I131 HydrophobicContact CB-CG1 3.94Å; R129-I131 PolarHBondContact O-N 3.49Å; I131-K133 PolarHBondContact O-N 3.23Å; I131-D134 PolarHBondContact O-N 3.46Å; I131-L135 HydrophobicContact CG2-CD2 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.08Å; I131-L389 HydrophobicContact CD1-CD2 4.14Å; I131-D393 PolarHBondContact N-OD1 3.33Å; I131-R470 HydrophobicContact CG2-CG 4.37Å
132A81.5Confident79.3Confident1 Ų170.6 Ų70.61%0.00836%0.363CS..THydrogen-bonded Turntrans-61.1-20-165.800000115.4D393 T394 K408 L419A132-D393 HydrophobicContact CB-CB 4.35Å; A132-D393 VanDerWaalsContact CB-OD1 3.23Å; A132-D393 WeakPolarHBondContact CB-OD1 3.45Å; A132-D393 WeakPolarHBondContact CB-OD2 3.43Å; A132-D393 PolarHBondContact N-OD1 3.29Å; A132-T394 WeakPolarHBondContact CB-OG1 3.44Å; A132-K408 HydrophobicContact CB-CB 3.77Å; A132-K408 HydrophobicContact CB-CD 3.91Å; A132-K408 HydrophobicContact CB-CG 3.69Å; A132-L419 HydrophobicContact CB-CD1 4.14Å; A132-L419 VanDerWaalsContact O-CD1 3.27Å; A132-L419 WeakPolarHBondContact O-CD1 3.45Å; A132-L419 WeakPolarHBondContact O-CD2 3.37Å
133K83.2Confident80.2Confident138 Ų13868.1 Ų68.160%0.635%0.352SS*.THydrogen-bonded Turntrans-77.5-28176.9-61.6-179.6-173.5171.60113.6I131 K408I131-K133 PolarHBondContact O-N 3.23Å; K133-K408 HydrophobicContact CG-CD 4.45Å
134D85.9Confident81.3Confident65 Ų6566.6 Ų66.635%0.34834%0.34SS..THydrogen-bonded Turntrans-98.5-11.4-168.8-53.2-39.5000111.8I131 L136 R470 K471I131-D134 PolarHBondContact O-N 3.46Å; D134-L136 PolarHBondContact O-N 3.03Å; D134-R470 CarbonylContact O-C 3.51Å; D134-R470 WeakPolarHBondContact O-CA 3.39Å; D134-K471 PolarHBondContact O-N 2.92Å
135L87Confident82.6Confident15 Ų1563.5 Ų63.58%0.07933%0.331CS..BIsolated β-bridgetrans-62.2128.2173.8-65.1175.8000111.4I131 T394 L419 F420 L468 R470I131-L135 HydrophobicContact CG2-CD2 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.08Å; L135-T394 HydrophobicContact CD1-CG2 3.65Å; L135-L419 HydrophobicContact CD1-CD1 4.43Å; L135-F420 HydrophobicContact CB-CE1 4.22Å; L135-L468 HydrophobicContact CD2-CB 4.14Å; L135-R470 HydrophobicContact CD2-CG 4.11Å
136L86.8Confident84Confident67 Ų6763.9 Ų63.935%0.35133%0.332SS..PPolyproline II helixtrans-91.2146.2169.9-68.4169.4000110.1D134 K469 K471D134-L136 PolarHBondContact O-N 3.03Å; L136-K469 HydrophobicContact CB-CB 4.5Å; L136-K469 HydrophobicContact CD1-CB 4.45Å; L136-K469 PolarHBondContact N-O 3.05Å; L136-K471 HydrophobicContact CD1-CG 4.26Å; L136-K471 HydrophobicContact CD2-CD 4.4Å; L136-K471 HydrophobicContact CD2-CG 3.97Å; L136-K471 HydrophobicContact CG-CG 4.04Å
137P85.7Confident85.1Confident86 Ų8665.2 Ų65.256%0.55833%0.334SS*.PPolyproline II helixtrans-63.2128.7167.727.9-33.1000109F420P137-F420 HydrophobicContact CB-CB 4.08Å; P137-F420 HydrophobicContact CB-CD1 4.07Å; P137-F420 HydrophobicContact CB-CD2 4.21Å; P137-F420 HydrophobicContact CB-CG 3.88Å
138P86.9Confident85.7Confident20 Ų2065.4 Ų65.413%0.1334%0.341CS..PPolyproline II helixtrans-72.4140.5176.827.3-31.2000110.7F420 V422 I466 P467P138-F420 HydrophobicContact CG-CE2 4.46Å; P138-V422 HydrophobicContact CG-CG1 4.27Å; P138-V422 HydrophobicContact CG-CG2 3.86Å; P138-I466 HydrophobicContact CB-CG2 4.2Å; P138-I466 HydrophobicContact CG-CG2 3.51Å; P138-P467 HydrophobicContact CB-CG 4.39Å; P138-P467 WeakPolarHBondContact CB-O 3.48Å
139D84.8Confident86.3Confident89 Ų8963.1 Ų63.148%0.47633%0.331SS..PPolyproline II helixtrans-70.4145.9169179.246.1000110.8S141 E142D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD2-CB 3.34Å; D139-S141 PolarHBondContact OD2-N 3.16Å; D139-S141 VanDerWaalsContact OD2-N 3.09Å; D139-S141 PolarHBondContact OD2-OG 2.81Å; D139-E142 HydrophobicContact CB-CG 4.37Å; D139-E142 PolarHBondContact O-N 3.15Å
140A80.9Confident86.7Confident59 Ų5967.2 Ų67.249%0.48835%0.351SS..G310 helixtrans-61.1-26.3-179.900000112.8E142 I143A140-E142 VanDerWaalsContact C-N 3.29Å; A140-E142 PolarHBondContact O-N 2.98Å; A140-I143 PolarHBondContact O-N 3.36Å
141S82.9Confident87.1Confident108 Ų10866 Ų6676%0.75535%0.345SS*.G310 helixtrans-69.7-24.5176.5-420000113.1D139D139-S141 PolarHBondContact O-N 2.89Å; D139-S141 WeakPolarHBondContact OD2-CB 3.34Å; D139-S141 PolarHBondContact OD2-N 3.16Å; D139-S141 VanDerWaalsContact OD2-N 3.09Å; D139-S141 PolarHBondContact OD2-OG 2.81Å
142E87.6Confident87.5Confident80 Ų8065.4 Ų65.437%0.37434%0.342SS..G310 helixtrans-86.3-12-178.7-53.7-168.116200112.8D139 A140 R144 P467 K469D139-E142 HydrophobicContact CB-CG 4.37Å; D139-E142 PolarHBondContact O-N 3.15Å; A140-E142 VanDerWaalsContact C-N 3.29Å; A140-E142 PolarHBondContact O-N 2.98Å; E142-R144 PolarHBondContact O-N 2.84Å; E142-R144 VanDerWaalsContact O-N 3.15Å; E142-P467 HydrophobicContact CB-CG 3.75Å; E142-K469 IonicContact OE1-NZ 2.74Å; E142-K469 PolarHBondContact OE1-NZ 3.38Å; E142-K469 WeakPolarHBondContact OE2-CE 3.01Å; E142-K469 IonicContact OE2-NZ 2.61Å; E142-K469 PolarHBondContact OE2-NZ 3.46Å
143I90.1Very high88.1Confident19 Ų1965.4 Ų65.410%0.09734%0.342CS..  trans-74.7104.7-178.8-55175.1000110A140 V145 V422 Y464 I465 I466A140-I143 PolarHBondContact O-N 3.36Å; I143-V145 PolarHBondContact O-N 2.81Å; I143-V422 HydrophobicContact CD1-CG1 3.43Å; I143-V422 VanDerWaalsContact CD1-CG1 3.43Å; I143-Y464 HydrophobicContact CG2-CD1 4.05Å; I143-I465 WeakPolarHBondContact CA-O 3.31Å; I143-I466 HydrophobicContact CG1-CG1 4.49Å; I143-I466 HydrophobicContact CG2-CG1 3.98Å
144R90.8Very high88.6Confident113 Ų11358.9 Ų58.943%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-79.7120.5-177.8-175.6-177-69.4-171.3-8.3111E142 L146 V179 E180 I465E142-R144 PolarHBondContact O-N 2.84Å; E142-R144 VanDerWaalsContact O-N 3.15Å; R144-L146 HydrophobicContact CG-CD2 3.86Å; R144-V179 PolarHBondContact NH1-O 3.4Å; R144-E180 VanDerWaalsContact NH1-C 3.33Å; R144-E180 PolarHBondContact NH1-O 3.38Å; R144-I465 HydrophobicContact CB-CB 4.36Å; R144-I465 PolarHBondContact N-O 3.18Å; R144-I465 PolarHBondContact O-N 3.38Å
145V92.1Very high89Confident53 Ų5356.2 Ų56.232%0.32130%0.3SS..EExtended strand (participates in β ladder)trans-103.3109.5-177-169.50000112.1I143 R147 I463 Y464I143-V145 PolarHBondContact O-N 2.81Å; V145-R147 HydrophobicContact CG1-CG 4.28Å; V145-I463 CarbonylContact C-O 3.58Å; V145-I463 WeakPolarHBondContact CA-O 3.44Å; V145-Y464 HydrophobicContact CB-CD1 4.42Å; V145-Y464 HydrophobicContact CB-CE1 4.31Å; V145-Y464 HydrophobicContact CG1-CD1 4.19Å; V145-Y464 HydrophobicContact CG1-CD2 4.35Å; V145-Y464 HydrophobicContact CG1-CE1 3.8Å; V145-Y464 HydrophobicContact CG1-CE2 3.97Å; V145-Y464 HydrophobicContact CG1-CG 4.43Å; V145-Y464 HydrophobicContact CG2-CD1 3.55Å; V145-Y464 HydrophobicContact CG2-CE1 3.51Å; V145-Y464 HydrophobicContact CG2-CG 4.33Å
146L91.9Very high89.4Confident12 Ų1255.7 Ų55.76%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-95128.6178.1-47.8-172.4000110.9R144 W177 G462 I463 I465R144-L146 HydrophobicContact CG-CD2 3.86Å; L146-W177 HydrophobicContact CB-CD2 4.39Å; L146-W177 HydrophobicContact CB-CE3 3.95Å; L146-W177 HydrophobicContact CB-CH2 4.02Å; L146-W177 HydrophobicContact CB-CZ2 4.47Å; L146-W177 HydrophobicContact CB-CZ3 3.75Å; L146-W177 HydrophobicContact CD1-CB 4.17Å; L146-W177 HydrophobicContact CD1-CD2 3.99Å; L146-W177 HydrophobicContact CD1-CE3 3.73Å; L146-W177 HydrophobicContact CD1-CG 4.22Å; L146-W177 HydrophobicContact CD1-CZ3 4.37Å; L146-W177 HydrophobicContact CG-CE3 4.39Å; L146-G462 CarbonylContact O-C 3.19Å; L146-G462 VanDerWaalsContact O-CA 3.23Å; L146-G462 WeakPolarHBondContact O-CA 3.36Å; L146-I463 HydrophobicContact CB-CB 4.22Å; L146-I463 PolarHBondContact N-O 2.58Å; L146-I463 PolarHBondContact O-N 3Å; L146-I465 HydrophobicContact CD1-CD1 3.79Å; L146-I465 HydrophobicContact CG-CD1 4.26Å
147R89.5Confident89.8Confident141 Ų14153.2 Ų53.253%0.53229%0.285SS..  trans-123.9126.3-176.4-62.7-173.5-173.9137.49.1112.1V145 K184V145-R147 HydrophobicContact CG1-CG 4.28Å; R147-K184 WeakPolarHBondContact O-CE 3.27Å; R147-K184 PolarHBondContact O-NZ 2.82Å
148G85.8Confident90.3Very high27 Ų2749.9 Ų49.928%0.27826%0.262SS..  trans-159.4-43.6-174.200000115.8
149H90.4Very high90.7Very high15 Ų1549.6 Ų49.67%0.06926%0.26CS..  trans-69.2145.4173.8-62.3-76.3000111.1L151 S167 A169 D171 S173H149-L151 WeakPolarHBondContact CB-O 3.42Å; H149-S167 PolarHBondContact CE1-O 2.81Å; H149-S167 PolarHBondContact NE2-O 2.91Å; H149-S167 PolarHBondContact NE2-OG 2.84Å; H149-A169 HydrophobicContact CB-CB 3.65Å; H149-A169 VanDerWaalsContact CG-CB 3.45Å; H149-A169 WeakPolarHBondContact ND1-CB 3.36Å; H149-D171 IonicContact ND1-OD1 3.99Å; H149-D171 PolarHBondContact ND1-OD1 3.41Å; H149-D171 IonicContact ND1-OD2 3.85Å; H149-S173 PolarHBondContact CE1-O 3.45Å; H149-S173 PolarHBondContact ND1-OG 2.85Å
150K89Confident90.9Very high184 Ų18446.9 Ų46.980%0.825%0.248SC*.SBendtrans-79.2-38174.2-61.9176.6-177.7175.70110.2D171 N461K150-D171 PolarHBondContact N-OD2 2.9Å; K150-N461 PolarHBondContact O-ND2 3.19Å
151L92.1Very high91.3Very high78 Ų7849.5 Ų49.541%0.40825%0.253SS..SBendtrans-106.1168-178.8-72-177.1000112.1H149 I153 K170 D171 N461H149-L151 WeakPolarHBondContact CB-O 3.42Å; L151-I153 PolarHBondContact O-N 2.93Å; L151-K170 HydrophobicContact CB-CB 4.04Å; L151-K170 HydrophobicContact CD1-CB 4.1Å; L151-D171 HydrophobicContact CB-CB 3.94Å; L151-D171 HydrophobicContact CD1-CB 4.02Å; L151-D171 HydrophobicContact CG-CB 4.05Å; L151-D171 PolarHBondContact N-OD2 2.96Å; L151-N461 VanDerWaalsContact C-ND2 3.32Å
152P92.6Very high91.8Very high4 Ų445.3 Ų45.33%0.02622%0.222CC..  trans-49.2134.6175.9-30.634.4000113.9A169 K170 E447P152-A169 WeakPolarHBondContact O-CA 3.32Å; P152-A169 WeakPolarHBondContact O-CB 3.4Å; P152-K170 PolarHBondContact O-N 3.37Å; P152-E447 HydrophobicContact CB-CG 4.27Å; P152-E447 HydrophobicContact CG-CG 3.38Å
153I94.8Very high92Very high1 Ų149.3 Ų49.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-65135.6168-60.1-169.3000108.5L151 L156 A168 N429 G462 I463L151-I153 PolarHBondContact O-N 2.93Å; I153-L156 HydrophobicContact CG2-CD2 3.91Å; I153-L156 HydrophobicContact CG2-CG 4.23Å; I153-A168 WeakPolarHBondContact CA-O 3.49Å; I153-A168 WeakPolarHBondContact CG2-O 3.43Å; I153-N429 WeakPolarHBondContact O-CB 3.36Å; I153-N429 PolarHBondContact O-ND2 3.45Å; I153-G462 VanDerWaalsContact CD1-C 3.41Å; I153-G462 WeakPolarHBondContact CD1-O 3.28Å; I153-I463 HydrophobicContact CD1-CB 4.49Å; I153-I463 HydrophobicContact CD1-CD1 4.49Å; I153-I463 HydrophobicContact CD1-CG1 3.46Å; I153-I463 VanDerWaalsContact CD1-CG1 3.46Å
154T94.1Very high92.2Very high1 Ų149.1 Ų49.11%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-107.1-37.8-177.642.90000112A168 K170 I206 R449T154-A168 PolarHBondContact N-O 3.23Å; T154-A168 PolarHBondContact OG1-O 3.29Å; T154-K170 HydrophobicContact CG2-CG 3.58Å; T154-I206 VanDerWaalsContact CB-O 3.22Å; T154-I206 WeakPolarHBondContact CB-O 3.26Å; T154-I206 PolarHBondContact OG1-O 3.48Å; T154-R449 HydrophobicContact CG2-CB 4.22Å
155C93.8Very high92.4Very high9 Ų943.8 Ų43.86%0.06121%0.214CC..EExtended strand (participates in β ladder)trans-153.3153.3-176.848.20000112A168C155-A168 PolarHBondContact O-N 2.84Å; C155-A168 VanDerWaalsContact O-N 3.14Å
156L95.6Very high92.6Very high4 Ų441.2 Ų41.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-133.9149.2179.4-68.4-177.5000111.4I153 I165 F166 S430 V441 G443 I463I153-L156 HydrophobicContact CG2-CD2 3.91Å; I153-L156 HydrophobicContact CG2-CG 4.23Å; L156-I165 HydrophobicContact CD2-CG2 4.37Å; L156-F166 WeakPolarHBondContact CA-O 3.21Å; L156-S430 PolarHBondContact N-OG 2.99Å; L156-V441 HydrophobicContact CD1-CB 4.32Å; L156-V441 HydrophobicContact CD1-CG1 3.64Å; L156-G443 VanDerWaalsContact CD1-CA 3.44Å; L156-I463 HydrophobicContact CD1-CG2 4.34Å; L156-I463 HydrophobicContact CD2-CD1 4.17Å; L156-I463 HydrophobicContact CD2-CG1 4.19Å
157V95.5Very high92.8Very high15 Ų1540.7 Ų40.79%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-140.3143.2168.3-172.40000109.3F166 M209 I211V157-F166 PolarHBondContact N-O 2.83Å; V157-F166 PolarHBondContact O-N 3.41Å; V157-M209 HydrophobicContact CG2-CB 3.54Å; V157-M209 WeakPolarHBondContact CG2-O 3.42Å; V157-I211 HydrophobicContact CG1-CB 3.71Å; V157-I211 HydrophobicContact CG1-CG2 3.42Å; V157-I211 VanDerWaalsContact CG1-CG2 3.42Å
158I95.2Very high93Very high16 Ų1634 Ų348%0.08217%0.17CC..EExtended strand (participates in β ladder)trans-106.9141174.2-51170.4000107.2I165 K432 F439 V441I158-I165 HydrophobicContact CG1-CG1 4.35Å; I158-K432 HydrophobicContact CD1-CB 3.9Å; I158-K432 WeakPolarHBondContact CD1-O 3.5Å; I158-K432 HydrophobicContact CG1-CB 4.21Å; I158-F439 HydrophobicContact CD1-CE2 4.13Å; I158-F439 HydrophobicContact CG2-CE2 4.38Å; I158-F439 HydrophobicContact CG2-CZ 4.35Å; I158-V441 HydrophobicContact CD1-CB 4.13Å; I158-V441 HydrophobicContact CD1-CG2 3.51Å; I158-V441 HydrophobicContact CG1-CG2 4.04Å
159T94.3Very high93.4Very high13 Ų1332.7 Ų32.78%0.0816%0.157CC..  trans-62.8149.9172.448.10000111.3D161 D162 C164 F166 I211T159-D161 PolarHBondContact O-N 2.78Å; T159-D161 VanDerWaalsContact O-N 3.16Å; T159-D162 PolarHBondContact O-N 2.81Å; T159-C164 HydrophobicContact CG2-CB 3.58Å; T159-C164 PolarHBondContact N-O 2.82Å; T159-C164 PolarHBondContact OG1-N 2.85Å; T159-C164 PolarHBondContact OG1-O 3.21Å; T159-C164 VanDerWaalsContact OG1-O 3.1Å; T159-F166 HydrophobicContact CG2-CD2 4.44Å; T159-F166 HydrophobicContact CG2-CE2 3.83Å; T159-I211 HydrophobicContact CG2-CD1 3.87Å
160P90Very high93.5Very high33 Ų3332.6 Ų32.621%0.21416%0.157CC..THydrogen-bonded Turntrans-48.4-42.4172.9-27.835.3000113.3D162 S212 S213 S435P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.15Å; P160-S212 WeakPolarHBondContact CG-O 3.36Å; P160-S213 VanDerWaalsContact CG-O 3.29Å; P160-S213 WeakPolarHBondContact CG-O 3.45Å; P160-S435 WeakPolarHBondContact O-CB 3.39Å; P160-S435 PolarHBondContact O-OG 3.15Å
161D89.8Confident93.5Very high114 Ų11425.5 Ų25.561%0.6113%0.128SC*.THydrogen-bonded Turntrans-72.22179.6-45.8-36.1000115.1T159 R163T159-D161 PolarHBondContact O-N 2.78Å; T159-D161 VanDerWaalsContact O-N 3.16Å; D161-R163 HydrophobicContact CB-CG 4.49Å; D161-R163 PolarHBondContact O-N 3.34Å
162D92.3Very high93.4Very high19 Ų1922.5 Ų22.510%0.10211%0.113CC..SBendtrans57.3-7.5-174.7-71-30000117.3T159 P160 C164 V179 S434 S435 S436 F439T159-D162 PolarHBondContact O-N 2.81Å; P160-D162 PolarHBondContact O-N 2.88Å; P160-D162 VanDerWaalsContact O-N 3.15Å; D162-C164 PolarHBondContact O-N 3.23Å; D162-V179 VanDerWaalsContact O-CG2 3.31Å; D162-V179 WeakPolarHBondContact O-CG2 3.43Å; D162-S434 WeakPolarHBondContact OD1-CA 3.47Å; D162-S434 WeakPolarHBondContact OD1-CB 3.33Å; D162-S434 WeakPolarHBondContact OD2-CB 3.39Å; D162-S435 VanDerWaalsContact CG-N 3.35Å; D162-S435 PolarHBondContact OD1-N 2.99Å; D162-S435 PolarHBondContact OD2-N 2.92Å; D162-S435 VanDerWaalsContact OD2-N 3.15Å; D162-S436 WeakPolarHBondContact OD2-CB 3.23Å; D162-S436 PolarHBondContact OD2-N 3.46Å; D162-S436 PolarHBondContact OD2-OG 3.5Å; D162-F439 HydrophobicContact CB-CE1 4.01Å; D162-F439 HydrophobicContact CB-CZ 3.98Å; D162-F439 WeakPolarHBondContact O-CZ 3.31Å
163R92.1Very high93.4Very high164 Ų16422.7 Ų22.762%0.61911%0.114SC*.SBendtrans-66.8-27.7-178.8-70.2175.1177.61661115.2D161 V179D161-R163 HydrophobicContact CB-CG 4.49Å; D161-R163 PolarHBondContact O-N 3.34Å; R163-V179 PolarHBondContact O-N 2.85Å
164C93.8Very high93.4Very high16 Ų1622.8 Ų22.811%0.10812%0.115CC..EExtended strand (participates in β ladder)trans-131144.1-172.1-81.60000113T159 D162 W177T159-C164 HydrophobicContact CG2-CB 3.58Å; T159-C164 PolarHBondContact N-O 2.82Å; T159-C164 PolarHBondContact OG1-N 2.85Å; T159-C164 PolarHBondContact OG1-O 3.21Å; T159-C164 VanDerWaalsContact OG1-O 3.1Å; D162-C164 PolarHBondContact O-N 3.23Å; C164-W177 CarbonylContact C-O 3.53Å; C164-W177 VanDerWaalsContact CA-O 3.24Å; C164-W177 WeakPolarHBondContact CA-O 3.3Å
165I95.4Very high93.4Very high0 Ų022.9 Ų22.90%012%0.115CC..EExtended strand (participates in β ladder)trans-115.9132.7172.3-63.4161.4000108.6L156 I158 W177 V179 V441 I463 I465L156-I165 HydrophobicContact CD2-CG2 4.37Å; I158-I165 HydrophobicContact CG1-CG1 4.35Å; I165-W177 HydrophobicContact CB-CB 4.37Å; I165-W177 PolarHBondContact N-O 3.34Å; I165-W177 PolarHBondContact O-N 3.06Å; I165-V179 HydrophobicContact CD1-CG2 3.65Å; I165-V179 HydrophobicContact CG1-CG2 3.68Å; I165-V441 HydrophobicContact CD1-CB 4.48Å; I165-V441 HydrophobicContact CD1-CG1 3.85Å; I165-V441 HydrophobicContact CD1-CG2 3.74Å; I165-V441 HydrophobicContact CG1-CG2 4.3Å; I165-V441 HydrophobicContact CG2-CG1 4.35Å; I165-I463 HydrophobicContact CG2-CD1 4.12Å; I165-I465 HydrophobicContact CD1-CD1 3.62Å; I165-I465 HydrophobicContact CD1-CG1 3.85Å
166F96.1Very high93.5Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-101.5135.3165.3-65.5-89.1000110.3L156 V157 T159 I174 I175 K176 M209 I211 L218 G232L156-F166 WeakPolarHBondContact CA-O 3.21Å; V157-F166 PolarHBondContact N-O 2.83Å; V157-F166 PolarHBondContact O-N 3.41Å; T159-F166 HydrophobicContact CG2-CD2 4.44Å; T159-F166 HydrophobicContact CG2-CE2 3.83Å; F166-I174 HydrophobicContact CD1-CG2 4.42Å; F166-I175 WeakPolarHBondContact CA-O 3.13Å; F166-K176 HydrophobicContact CD1-CB 3.98Å; F166-K176 HydrophobicContact CD1-CG 4.18Å; F166-K176 HydrophobicContact CE1-CB 3.74Å; F166-K176 HydrophobicContact CE1-CD 3.71Å; F166-K176 HydrophobicContact CE1-CG 3.67Å; F166-K176 HydrophobicContact CZ-CB 4.49Å; F166-K176 HydrophobicContact CZ-CD 3.73Å; F166-K176 HydrophobicContact CZ-CG 3.93Å; F166-M209 HydrophobicContact CB-CE 3.86Å; F166-I211 HydrophobicContact CD2-CD1 4.22Å; F166-I211 HydrophobicContact CE2-CD1 3.77Å; F166-L218 HydrophobicContact CB-CD1 4.2Å; F166-L218 HydrophobicContact CD1-CD1 4.31Å; F166-L218 HydrophobicContact CD1-CD2 3.56Å; F166-L218 HydrophobicContact CD2-CD1 3.95Å; F166-L218 HydrophobicContact CE1-CD2 3.78Å; F166-L218 HydrophobicContact CE2-CD1 4.38Å; F166-L218 HydrophobicContact CG-CD1 3.9Å; F166-L218 HydrophobicContact CG-CD2 4Å; F166-L218 HydrophobicContact CZ-CD2 4.41Å; F166-G232 WeakPolarHBondContact CZ-O 3.44Å
167S95.7Very high93.4Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-131.4141.3175.663.50000111.7H149 I174 I175 W177H149-S167 PolarHBondContact CE1-O 2.81Å; H149-S167 PolarHBondContact NE2-O 2.91Å; H149-S167 PolarHBondContact NE2-OG 2.84Å; S167-I174 CarbonylContact O-C 3.34Å; S167-I174 WeakPolarHBondContact O-CA 3.11Å; S167-I175 PolarHBondContact N-O 3.14Å; S167-I175 PolarHBondContact O-N 3.06Å; S167-W177 PolarHBondContact OG-NE1 2.76Å
168A94.8Very high93.4Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-125.5158.7168.100000111.9I153 T154 C155 S173 I174 I206 M209I153-A168 WeakPolarHBondContact CA-O 3.49Å; I153-A168 WeakPolarHBondContact CG2-O 3.43Å; T154-A168 PolarHBondContact N-O 3.23Å; T154-A168 PolarHBondContact OG1-O 3.29Å; C155-A168 PolarHBondContact O-N 2.84Å; C155-A168 VanDerWaalsContact O-N 3.14Å; A168-S173 WeakPolarHBondContact CA-O 3.44Å; A168-I174 HydrophobicContact CB-CG1 4.31Å; A168-I206 HydrophobicContact CB-CB 3.87Å; A168-I206 HydrophobicContact CB-CD1 3.81Å; A168-I206 HydrophobicContact CB-CG1 4.46Å; A168-I206 HydrophobicContact CB-CG2 3.69Å; A168-M209 HydrophobicContact CB-CG 4.35Å; A168-M209 HydrophobicContact CB-SD 3.4Å; A168-M209 WeakPolarHBondContact CB-SD 3.19Å
169A94.1Very high93.2Very high0 Ų024.4 Ų24.40%012%0.121CC..EExtended strand (participates in β ladder)trans-142.6170.7-174.400000112H149 P152 D171 C172H149-A169 HydrophobicContact CB-CB 3.65Å; H149-A169 VanDerWaalsContact CG-CB 3.45Å; H149-A169 WeakPolarHBondContact ND1-CB 3.36Å; P152-A169 WeakPolarHBondContact O-CA 3.32Å; P152-A169 WeakPolarHBondContact O-CB 3.4Å; A169-D171 PolarHBondContact O-N 3.13Å; A169-C172 PolarHBondContact O-N 2.96Å
170K91.8Very high92.9Very high14 Ų1430.3 Ų30.36%0.06115%0.148CC..THydrogen-bonded Turntrans-63.3-8.6174.9-56.2-172.9-175.7-176.40114L151 P152 T154 C172 H205 E447 H448 R449 G451L151-K170 HydrophobicContact CB-CB 4.04Å; L151-K170 HydrophobicContact CD1-CB 4.1Å; P152-K170 PolarHBondContact O-N 3.37Å; T154-K170 HydrophobicContact CG2-CG 3.58Å; K170-C172 PolarHBondContact O-N 3.04Å; K170-H205 PolarHBondContact O-CE1 3.31Å; K170-H205 VanDerWaalsContact O-CE1 3.27Å; K170-H205 PolarHBondContact O-ND1 2.94Å; K170-E447 IonicContact NZ-OE1 3.97Å; K170-E447 PolarHBondContact NZ-OE1 2.98Å; K170-H448 WeakPolarHBondContact CE-O 3.21Å; K170-H448 PolarHBondContact NZ-O 3.04Å; K170-R449 VanDerWaalsContact CE-O 3.26Å; K170-R449 WeakPolarHBondContact CE-O 3.44Å; K170-G451 PolarHBondContact NZ-O 2.96Å; K170-G451 VanDerWaalsContact NZ-O 3.09Å
171D89.3Confident92.7Very high35 Ų3532.8 Ų32.819%0.18716%0.16CC..THydrogen-bonded Turntrans-83.310.1170.660.625.9000113.5H149 K150 L151 A169 S173H149-D171 IonicContact ND1-OD1 3.99Å; H149-D171 PolarHBondContact ND1-OD1 3.41Å; H149-D171 IonicContact ND1-OD2 3.85Å; K150-D171 PolarHBondContact N-OD2 2.9Å; L151-D171 HydrophobicContact CB-CB 3.94Å; L151-D171 HydrophobicContact CD1-CB 4.02Å; L151-D171 HydrophobicContact CG-CB 4.05Å; L151-D171 PolarHBondContact N-OD2 2.96Å; A169-D171 PolarHBondContact O-N 3.13Å; D171-S173 PolarHBondContact O-N 2.93Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å; D171-S173 PolarHBondContact OD1-N 3.49Å; D171-S173 PolarHBondContact OD1-OG 3.31Å
172C90.3Very high92.5Very high14 Ų1428 Ų2810%0.09514%0.138CC..SBendtrans62.512.6175.2-40.20000113.4A169 K170 G190 H202 A204A169-C172 PolarHBondContact O-N 2.96Å; K170-C172 PolarHBondContact O-N 3.04Å; C172-G190 WeakPolarHBondContact O-CA 3.43Å; C172-G190 PolarHBondContact O-N 2.97Å; C172-H202 HydrophobicContact CB-CB 4.3Å; C172-H202 WeakPolarHBondContact CB-O 3.35Å; C172-A204 PolarHBondContact SG-O 3.3Å
173S92.4Very high92.3Very high9 Ų933.1 Ų33.16%0.06316%0.159CC..  trans-92.5148.4175.3690000112.1H149 A168 D171 I188H149-S173 PolarHBondContact CE1-O 3.45Å; H149-S173 PolarHBondContact ND1-OG 2.85Å; A168-S173 WeakPolarHBondContact CA-O 3.44Å; D171-S173 PolarHBondContact O-N 2.93Å; D171-S173 WeakPolarHBondContact OD1-CB 3.5Å; D171-S173 PolarHBondContact OD1-N 3.49Å; D171-S173 PolarHBondContact OD1-OG 3.31Å; S173-I188 CarbonylContact C-O 3.57Å; S173-I188 WeakPolarHBondContact CA-O 3.43Å; S173-I188 VanDerWaalsContact CB-O 3.24Å; S173-I188 WeakPolarHBondContact CB-O 3.44Å
174I94.6Very high92.3Very high3 Ų330.3 Ų30.32%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-115.1128.7170.9-56.1162.9000107.2F166 S167 A168 T187 I188 I206 M209 L218 T220 W230F166-I174 HydrophobicContact CD1-CG2 4.42Å; S167-I174 CarbonylContact O-C 3.34Å; S167-I174 WeakPolarHBondContact O-CA 3.11Å; A168-I174 HydrophobicContact CB-CG1 4.31Å; I174-T187 CarbonylContact O-C 3.56Å; I174-T187 WeakPolarHBondContact O-CA 3.48Å; I174-I188 HydrophobicContact CB-CB 4.21Å; I174-I188 HydrophobicContact CB-CD1 4.09Å; I174-I188 HydrophobicContact CD1-CD1 4.05Å; I174-I188 HydrophobicContact CG2-CD1 4.43Å; I174-I188 PolarHBondContact N-O 2.9Å; I174-I188 PolarHBondContact O-N 2.91Å; I174-I206 HydrophobicContact CD1-CD1 4.1Å; I174-I206 HydrophobicContact CG1-CD1 3.56Å; I174-M209 HydrophobicContact CG2-CE 3.87Å; I174-L218 HydrophobicContact CG2-CD2 4.38Å; I174-T220 HydrophobicContact CD1-CG2 3.62Å; I174-T220 HydrophobicContact CG1-CG2 4.48Å; I174-W230 HydrophobicContact CD1-CZ2 4.27Å
175I94.9Very high92.2Very high3 Ų334.3 Ų34.32%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-117.8130.4176.8-56.7176000108.9F166 S167 W177 K184 H186 T187F166-I175 WeakPolarHBondContact CA-O 3.13Å; S167-I175 PolarHBondContact N-O 3.14Å; S167-I175 PolarHBondContact O-N 3.06Å; I175-W177 HydrophobicContact CB-CZ2 4.32Å; I175-W177 HydrophobicContact CD1-CZ2 4.03Å; I175-W177 HydrophobicContact CG2-CD2 3.89Å; I175-W177 HydrophobicContact CG2-CG 4.18Å; I175-W177 HydrophobicContact CG2-CZ2 3.77Å; I175-W177 VanDerWaalsContact CG2-NE1 3.3Å; I175-K184 HydrophobicContact CG2-CB 4.29Å; I175-K184 HydrophobicContact CG2-CD 4.44Å; I175-K184 HydrophobicContact CG2-CG 3.98Å; I175-H186 WeakPolarHBondContact CG2-O 3.39Å; I175-T187 HydrophobicContact CG1-CG2 3.94Å
176K95.3Very high91.9Very high27 Ų2737.9 Ų37.912%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-95123168.6-175.8176.91771700108.4F166 L185 H186 G232 E233F166-K176 HydrophobicContact CD1-CB 3.98Å; F166-K176 HydrophobicContact CD1-CG 4.18Å; F166-K176 HydrophobicContact CE1-CB 3.74Å; F166-K176 HydrophobicContact CE1-CD 3.71Å; F166-K176 HydrophobicContact CE1-CG 3.67Å; F166-K176 HydrophobicContact CZ-CB 4.49Å; F166-K176 HydrophobicContact CZ-CD 3.73Å; F166-K176 HydrophobicContact CZ-CG 3.93Å; K176-L185 HydrophobicContact CG-CB 4.31Å; K176-L185 HydrophobicContact CG-CD1 4.36Å; K176-L185 PolarHBondContact O-N 2.85Å; K176-H186 HydrophobicContact CB-CB 4.08Å; K176-H186 PolarHBondContact N-O 3.05Å; K176-H186 PolarHBondContact O-N 3.31Å; K176-G232 PolarHBondContact NZ-O 3.22Å; K176-E233 PolarHBondContact NZ-O 3.47Å
177W94.9Very high91.7Very high6 Ų639.9 Ų39.92%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-113142.9-179.4-56.586.2000110.4L146 C164 I165 S167 I175 K183 K184 I463L146-W177 HydrophobicContact CB-CD2 4.39Å; L146-W177 HydrophobicContact CB-CE3 3.95Å; L146-W177 HydrophobicContact CB-CH2 4.02Å; L146-W177 HydrophobicContact CB-CZ2 4.47Å; L146-W177 HydrophobicContact CB-CZ3 3.75Å; L146-W177 HydrophobicContact CD1-CB 4.17Å; L146-W177 HydrophobicContact CD1-CD2 3.99Å; L146-W177 HydrophobicContact CD1-CE3 3.73Å; L146-W177 HydrophobicContact CD1-CG 4.22Å; L146-W177 HydrophobicContact CD1-CZ3 4.37Å; L146-W177 HydrophobicContact CG-CE3 4.39Å; C164-W177 CarbonylContact C-O 3.53Å; C164-W177 VanDerWaalsContact CA-O 3.24Å; C164-W177 WeakPolarHBondContact CA-O 3.3Å; I165-W177 HydrophobicContact CB-CB 4.37Å; I165-W177 PolarHBondContact N-O 3.34Å; I165-W177 PolarHBondContact O-N 3.06Å; S167-W177 PolarHBondContact OG-NE1 2.76Å; I175-W177 HydrophobicContact CB-CZ2 4.32Å; I175-W177 HydrophobicContact CD1-CZ2 4.03Å; I175-W177 HydrophobicContact CG2-CD2 3.89Å; I175-W177 HydrophobicContact CG2-CG 4.18Å; I175-W177 HydrophobicContact CG2-CZ2 3.77Å; I175-W177 VanDerWaalsContact CG2-NE1 3.3Å; W177-K183 WeakPolarHBondContact CA-O 3.34Å; W177-K184 HydrophobicContact CD2-CG 4.31Å; W177-K184 HydrophobicContact CE3-CG 3.7Å; W177-K184 HydrophobicContact CH2-CD 4.12Å; W177-K184 HydrophobicContact CH2-CG 3.69Å; W177-K184 HydrophobicContact CZ2-CG 4.28Å; W177-K184 HydrophobicContact CZ3-CD 4.21Å; W177-K184 HydrophobicContact CZ3-CG 3.35Å; W177-I463 HydrophobicContact CD2-CD1 4.28Å; W177-I463 HydrophobicContact CG-CD1 4.1Å; W177-I463 HydrophobicContact CZ2-CD1 4.43Å; W177-I463 VanDerWaalsContact NE1-CD1 3.28Å
178D94Very high91.5Very high21 Ų2140.5 Ų40.511%0.11220%0.203CC..EExtended strand (participates in β ladder)trans-82.5133162.1170.329.8000109.7E180 N181 G182 K183 L185D178-E180 PolarHBondContact OD1-N 2.87Å; D178-N181 WeakPolarHBondContact OD2-CA 3.44Å; D178-N181 WeakPolarHBondContact OD2-CB 3.42Å; D178-N181 PolarHBondContact OD2-N 3.36Å; D178-N181 PolarHBondContact OD2-ND2 2.86Å; D178-G182 WeakPolarHBondContact O-CA 3.25Å; D178-G182 PolarHBondContact O-N 2.85Å; D178-K183 PolarHBondContact N-O 2.89Å; D178-L185 HydrophobicContact CB-CD1 4.01Å; D178-L185 HydrophobicContact CB-CD2 4.07Å; D178-L185 HydrophobicContact CB-CG 3.95Å
179V91Very high91.1Very high21 Ų2146.7 Ų46.713%0.12723%0.231CC..THydrogen-bonded Turntrans-72-42.5176.7175.20000111.2R144 D162 R163 I165 F439R144-V179 PolarHBondContact NH1-O 3.4Å; D162-V179 VanDerWaalsContact O-CG2 3.31Å; D162-V179 WeakPolarHBondContact O-CG2 3.43Å; R163-V179 PolarHBondContact O-N 2.85Å; I165-V179 HydrophobicContact CD1-CG2 3.65Å; I165-V179 HydrophobicContact CG1-CG2 3.68Å; V179-F439 HydrophobicContact CG1-CE1 4.14Å; V179-F439 HydrophobicContact CG1-CE2 4.47Å; V179-F439 HydrophobicContact CG1-CZ 3.99Å; V179-F439 HydrophobicContact CG2-CE2 4.49Å; V179-F439 HydrophobicContact CG2-CZ 4.17Å
180E88.2Confident90.5Very high137 Ų13747.9 Ų47.964%0.6424%0.244SC*.THydrogen-bonded Turntrans-68.2-45.7-171.7-68.5-179.8-165.500112.2R144 D178R144-E180 VanDerWaalsContact NH1-C 3.33Å; R144-E180 PolarHBondContact NH1-O 3.38Å; D178-E180 PolarHBondContact OD1-N 2.87Å
181N86.5Confident90Very high86 Ų8647.8 Ų47.846%0.4625%0.247SC..THydrogen-bonded Turntrans-95.6-13.6177.7-64.7-106.5000114D178 K183D178-N181 WeakPolarHBondContact OD2-CA 3.44Å; D178-N181 WeakPolarHBondContact OD2-CB 3.42Å; D178-N181 PolarHBondContact OD2-N 3.36Å; D178-N181 PolarHBondContact OD2-ND2 2.86Å; N181-K183 HydrophobicContact CB-CB 4.22Å; N181-K183 HydrophobicContact CB-CD 3.6Å; N181-K183 HydrophobicContact CB-CG 3.77Å; N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 PolarHBondContact OD1-NZ 2.89Å
182G84.6Confident89.3Confident14 Ų1456.1 Ų56.114%0.14428%0.276CS..  trans66.114.9-171.600000114.4D178D178-G182 WeakPolarHBondContact O-CA 3.25Å; D178-G182 PolarHBondContact O-N 2.85Å
183K89.4Confident88.3Confident126 Ų12664.1 Ų64.155%0.54831%0.309SS..  trans-86.3151.1-174.8-71168.5-172.1154.80111W177 D178 N181 L185W177-K183 WeakPolarHBondContact CA-O 3.34Å; D178-K183 PolarHBondContact N-O 2.89Å; N181-K183 HydrophobicContact CB-CB 4.22Å; N181-K183 HydrophobicContact CB-CD 3.6Å; N181-K183 HydrophobicContact CB-CG 3.77Å; N181-K183 PolarHBondContact O-N 3.23Å; N181-K183 PolarHBondContact OD1-NZ 2.89Å; K183-L185 PolarHBondContact O-N 2.8Å
184K92.4Very high87.3Confident105 Ų10567 Ų6746%0.45734%0.34SS..EExtended strand (participates in β ladder)trans-75.8116168.3-59.9173.6-170.7166.10108R147 I175 W177R147-K184 WeakPolarHBondContact O-CE 3.27Å; R147-K184 PolarHBondContact O-NZ 2.82Å; I175-K184 HydrophobicContact CG2-CB 4.29Å; I175-K184 HydrophobicContact CG2-CD 4.44Å; I175-K184 HydrophobicContact CG2-CG 3.98Å; W177-K184 HydrophobicContact CD2-CG 4.31Å; W177-K184 HydrophobicContact CE3-CG 3.7Å; W177-K184 HydrophobicContact CH2-CD 4.12Å; W177-K184 HydrophobicContact CH2-CG 3.69Å; W177-K184 HydrophobicContact CZ2-CG 4.28Å; W177-K184 HydrophobicContact CZ3-CD 4.21Å; W177-K184 HydrophobicContact CZ3-CG 3.35Å
185L90.6Very high86.4Confident99 Ų9969.3 Ų69.352%0.51835%0.354SS..EExtended strand (participates in β ladder)trans-83-42.5173.8-64.1178.8000110.9K176 D178 K183K176-L185 HydrophobicContact CG-CB 4.31Å; K176-L185 HydrophobicContact CG-CD1 4.36Å; K176-L185 PolarHBondContact O-N 2.85Å; D178-L185 HydrophobicContact CB-CD1 4.01Å; D178-L185 HydrophobicContact CB-CD2 4.07Å; D178-L185 HydrophobicContact CB-CG 3.95Å; K183-L185 PolarHBondContact O-N 2.8Å
186H90Very high85.1Confident76 Ų7672.9 Ų72.935%0.35237%0.371SS..EExtended strand (participates in β ladder)trans-146.9155.9-179.3-166.488.2000111.2I175 K176 C235I175-H186 WeakPolarHBondContact CG2-O 3.39Å; K176-H186 HydrophobicContact CB-CB 4.08Å; K176-H186 PolarHBondContact N-O 3.05Å; K176-H186 PolarHBondContact O-N 3.31Å; H186-C235 HydrophobicContact CB-CB 4.31Å; H186-C235 WeakPolarHBondContact CD2-CB 3.25Å
187T91.4Very high83.6Confident42 Ų4280.1 Ų80.126%0.25841%0.411SS..EExtended strand (participates in β ladder)trans-144.6108.4174.4-64.50000110.1I174 I175 H189I174-T187 CarbonylContact O-C 3.56Å; I174-T187 WeakPolarHBondContact O-CA 3.48Å; I175-T187 HydrophobicContact CG1-CG2 3.94Å; T187-H189 VanDerWaalsContact CG2-CE1 3.41Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.3Å
188I90.3Very high82.2Confident13 Ų1391.2 Ų91.27%0.06745%0.453CS..EExtended strand (participates in β ladder)trans-78.5117.5166.1-60.6155.6000106.4S173 I174 W230 C235S173-I188 CarbonylContact C-O 3.57Å; S173-I188 WeakPolarHBondContact CA-O 3.43Å; S173-I188 VanDerWaalsContact CB-O 3.24Å; S173-I188 WeakPolarHBondContact CB-O 3.44Å; I174-I188 HydrophobicContact CB-CB 4.21Å; I174-I188 HydrophobicContact CB-CD1 4.09Å; I174-I188 HydrophobicContact CD1-CD1 4.05Å; I174-I188 HydrophobicContact CG2-CD1 4.43Å; I174-I188 PolarHBondContact N-O 2.9Å; I174-I188 PolarHBondContact O-N 2.91Å; I188-W230 HydrophobicContact CD1-CD2 3.81Å; I188-W230 HydrophobicContact CD1-CE3 3.43Å; I188-W230 VanDerWaalsContact CD1-CE3 3.43Å; I188-W230 HydrophobicContact CD1-CH2 4.09Å; I188-W230 HydrophobicContact CD1-CZ2 4.4Å; I188-W230 HydrophobicContact CD1-CZ3 3.58Å; I188-W230 HydrophobicContact CG1-CE3 4.28Å; I188-W230 HydrophobicContact CG1-CZ3 4Å; I188-W230 HydrophobicContact CG2-CH2 3.67Å; I188-W230 HydrophobicContact CG2-CZ2 4.36Å; I188-W230 HydrophobicContact CG2-CZ3 3.94Å; I188-C235 HydrophobicContact CD1-CB 4.09Å; I188-C235 HydrophobicContact CG1-CB 4.33Å
189H87Confident81.2Confident129 Ų12993.2 Ų93.260%0.59746%0.461SS*.PPolyproline II helixtrans-81.1143.9171.9-69.3-46.5000111.1T187 H199T187-H189 VanDerWaalsContact CG2-CE1 3.41Å; T187-H189 WeakPolarHBondContact CG2-CE1 3.3Å; H189-H199 PolarHBondContact O-CE1 3.05Å; H189-H199 PolarHBondContact O-NE2 2.88Å
190G82.4Confident80.4Confident25 Ų2596.9 Ų96.926%0.25848%0.483SS..PPolyproline II helixtrans-70.3148173.400000112.7C172 H202C172-G190 WeakPolarHBondContact O-CA 3.43Å; C172-G190 PolarHBondContact O-N 2.97Å; G190-H202 CarbonylContact C-O 3.56Å; G190-H202 WeakPolarHBondContact CA-O 3.21Å
191G80.1Confident79.9Confident12 Ų1290.5 Ų90.512%0.12445%0.454CS..PPolyproline II helixtrans-76.3170.9171.200000111.7H199 H202G191-H199 WeakPolarHBondContact CA-CD2 3.43Å; G191-H199 PolarHBondContact N-CD2 3.25Å; G191-H199 VanDerWaalsContact N-CD2 3.3Å; G191-H199 PolarHBondContact N-NE2 2.8Å; G191-H202 PolarHBondContact N-O 3.16Å
192R75.4Confident79.8Confident211 Ų21186.4 Ų86.480%0.79643%0.433SS*.PPolyproline II helixtrans-92.6150.1168.4-66.4-174.8-178.3-174.81.9109G194 T195 T203R192-G194 PolarHBondContact O-N 2.86Å; R192-G194 VanDerWaalsContact O-N 3.15Å; R192-T195 HydrophobicContact CB-CG2 4.08Å; R192-T195 PolarHBondContact N-OG1 2.82Å; R192-T195 VanDerWaalsContact N-OG1 3.15Å; R192-T195 PolarHBondContact O-N 2.92Å; R192-T195 PolarHBondContact O-OG1 3.32Å; R192-T203 VanDerWaalsContact O-CG2 3.29Å; R192-T203 WeakPolarHBondContact O-CG2 3.37Å
193K69.9Low79.9Confident181 Ų18186.3 Ų86.379%0.78743%0.429SS*.THydrogen-bonded Turntrans-53.9123.9173.8-171.2170-175.1170.60109.8
194G69.5Low79.9Confident70 Ų7081.1 Ų81.172%0.72241%0.409SS*.THydrogen-bonded Turntrans90.84-174.500000116.4R192R192-G194 PolarHBondContact O-N 2.86Å; R192-G194 VanDerWaalsContact O-N 3.15Å
195T75.7Confident79.9Confident52 Ų5280.2 Ų80.232%0.31941%0.407SS..  trans-102.626.3171.870.10000113.2R192 D197 R198 H199R192-T195 HydrophobicContact CB-CG2 4.08Å; R192-T195 PolarHBondContact N-OG1 2.82Å; R192-T195 VanDerWaalsContact N-OG1 3.15Å; R192-T195 PolarHBondContact O-N 2.92Å; R192-T195 PolarHBondContact O-OG1 3.32Å; T195-D197 PolarHBondContact O-N 2.99Å; T195-R198 PolarHBondContact O-N 2.71Å; T195-R198 VanDerWaalsContact O-N 3.16Å; T195-H199 WeakPolarHBondContact O-CB 3.4Å; T195-H199 PolarHBondContact O-N 2.86Å
196E68.5Low80.1Confident78 Ų7875.5 Ų75.536%0.36438%0.382SS..THydrogen-bonded Turntrans-68.8-34.7-165.2-68.8177.4-16200113.9R198 T203 N224E196-R198 VanDerWaalsContact C-N 3.28Å; E196-R198 PolarHBondContact O-N 3.24Å; E196-T203 VanDerWaalsContact CD-OG1 3.31Å; E196-T203 HydrophobicContact CG-CG2 3.44Å; E196-T203 VanDerWaalsContact CG-CG2 3.44Å; E196-T203 WeakPolarHBondContact CG-OG1 3.4Å; E196-T203 PolarHBondContact OE1-OG1 2.84Å; E196-N224 PolarHBondContact OE1-ND2 3.18Å
197D63.7Low80.2Confident178 Ų17872.1 Ų72.195%0.95237%0.367SS*.THydrogen-bonded Turntrans-79.6-9.9176.3-59-36.5000113.4T195T195-D197 PolarHBondContact O-N 2.99Å
198R65.8Low80.4Confident239 Ų23970.5 Ų70.590%0.90236%0.357SS*.THydrogen-bonded Turntrans-117.1-18.3-172.9-170171.2179.9-177.91.5114T195 E196T195-R198 PolarHBondContact O-N 2.71Å; T195-R198 VanDerWaalsContact O-N 3.16Å; E196-R198 VanDerWaalsContact C-N 3.28Å; E196-R198 PolarHBondContact O-N 3.24Å
199H72.7Confident80.7Confident64 Ų6470.6 Ų70.630%0.29636%0.357SS..  trans-119.6120.7-177.4-174.177.9000111.4H189 G191 T195 G201H189-H199 PolarHBondContact O-CE1 3.05Å; H189-H199 PolarHBondContact O-NE2 2.88Å; G191-H199 WeakPolarHBondContact CA-CD2 3.43Å; G191-H199 PolarHBondContact N-CD2 3.25Å; G191-H199 VanDerWaalsContact N-CD2 3.3Å; G191-H199 PolarHBondContact N-NE2 2.8Å; T195-H199 WeakPolarHBondContact O-CB 3.4Å; T195-H199 PolarHBondContact O-N 2.86Å; H199-G201 VanDerWaalsContact C-N 3.3Å; H199-G201 PolarHBondContact CD2-N 3.01Å; H199-G201 PolarHBondContact O-N 2.72Å
200V74.3Confident81.1Confident97 Ų9764.7 Ų64.759%0.58833%0.331SS*.SBendtrans-80.479.3177.3-175.80000109.1W230 H237V200-W230 HydrophobicContact CG1-CZ3 4.46Å; V200-H237 HydrophobicContact CG1-CB 3.3Å
201G78.3Confident81.7Confident3 Ų364.1 Ų64.13%0.03132%0.322CS..SBendtrans166.8163.9177.700000113.9H199 T203H199-G201 VanDerWaalsContact C-N 3.3Å; H199-G201 PolarHBondContact CD2-N 3.01Å; H199-G201 PolarHBondContact O-N 2.72Å; G201-T203 PolarHBondContact O-N 2.63Å
202H84.6Confident82.4Confident1 Ų163.6 Ų63.61%0.00532%0.316CS..  trans-58.1131.9-173.8-66.9-74.3000113.3C172 G190 G191 I206 T220 D222C172-H202 HydrophobicContact CB-CB 4.3Å; C172-H202 WeakPolarHBondContact CB-O 3.35Å; G190-H202 CarbonylContact C-O 3.56Å; G190-H202 WeakPolarHBondContact CA-O 3.21Å; G191-H202 PolarHBondContact N-O 3.16Å; H202-I206 HydrophobicContact CB-CD1 4.09Å; H202-I206 HydrophobicContact CB-CG1 3.86Å; H202-I206 VanDerWaalsContact CD2-CD1 3.44Å; H202-I206 WeakPolarHBondContact CD2-CD1 3.37Å; H202-T220 PolarHBondContact CE1-OG1 3.46Å; H202-T220 WeakPolarHBondContact NE2-CB 3.48Å; H202-T220 PolarHBondContact NE2-OG1 3.02Å; H202-D222 IonicContact ND1-OD2 3.58Å
203T86.9Confident83.2Confident12 Ų1255.4 Ų55.47%0.07429%0.291CS..SBendtrans-98-7.1176.651.60000113.6R192 E196 G201 N224R192-T203 VanDerWaalsContact O-CG2 3.29Å; R192-T203 WeakPolarHBondContact O-CG2 3.37Å; E196-T203 VanDerWaalsContact CD-OG1 3.31Å; E196-T203 HydrophobicContact CG-CG2 3.44Å; E196-T203 VanDerWaalsContact CG-CG2 3.44Å; E196-T203 WeakPolarHBondContact CG-OG1 3.4Å; E196-T203 PolarHBondContact OE1-OG1 2.84Å; G201-T203 PolarHBondContact O-N 2.63Å; T203-N224 PolarHBondContact OG1-ND2 3.15Å
204A89.1Confident84.2Confident16 Ų1649.6 Ų49.613%0.13227%0.269CS..SBendtrans-133.4171175.900000111.6C172 I206 M223 N224C172-A204 PolarHBondContact SG-O 3.3Å; A204-I206 PolarHBondContact O-N 2.75Å; A204-M223 HydrophobicContact CB-CB 4.09Å; A204-N224 HydrophobicContact CB-CB 4.28Å; A204-N224 VanDerWaalsContact CB-CG 3.44Å; A204-N224 WeakPolarHBondContact CB-OD1 3.22Å
205H91.3Very high85.2Confident86 Ų8647 Ų4740%0.39824%0.241SC..  trans-59.1127.6-174.4-53.8-34.7000111.3K170 D222 M223K170-H205 PolarHBondContact O-CE1 3.31Å; K170-H205 VanDerWaalsContact O-CE1 3.27Å; K170-H205 PolarHBondContact O-ND1 2.94Å; H205-D222 WeakPolarHBondContact O-CA 3.45Å; H205-M223 PolarHBondContact O-N 3.41Å
206I94.2Very high86Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-77.9123.1173.5-56.4164.5000107.1T154 A168 I174 H202 A204 M209T154-I206 VanDerWaalsContact CB-O 3.22Å; T154-I206 WeakPolarHBondContact CB-O 3.26Å; T154-I206 PolarHBondContact OG1-O 3.48Å; A168-I206 HydrophobicContact CB-CB 3.87Å; A168-I206 HydrophobicContact CB-CD1 3.81Å; A168-I206 HydrophobicContact CB-CG1 4.46Å; A168-I206 HydrophobicContact CB-CG2 3.69Å; I174-I206 HydrophobicContact CD1-CD1 4.1Å; I174-I206 HydrophobicContact CG1-CD1 3.56Å; H202-I206 HydrophobicContact CB-CD1 4.09Å; H202-I206 HydrophobicContact CB-CG1 3.86Å; H202-I206 VanDerWaalsContact CD2-CD1 3.44Å; H202-I206 WeakPolarHBondContact CD2-CD1 3.37Å; A204-I206 PolarHBondContact O-N 2.75Å; I206-M209 HydrophobicContact CG2-CG 4.11Å
207L93.9Very high87.3Confident6 Ų648.6 Ų48.63%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-101.2-31.6-176.8-63-179.5000112.6G221 M223 P247 V248L207-G221 PolarHBondContact N-O 3.01Å; L207-M223 HydrophobicContact CD1-SD 3.87Å; L207-P247 HydrophobicContact CD1-CB 4.05Å; L207-V248 WeakPolarHBondContact CB-O 3.27Å
208C94.6Very high88.8Confident8 Ų840.2 Ų40.25%0.05420%0.197CC..EExtended strand (participates in β ladder)trans-145.3155.4-173.159.20000112G221 V248 L251C208-G221 PolarHBondContact N-O 2.7Å; C208-G221 PolarHBondContact O-N 2.85Å; C208-V248 PolarHBondContact SG-O 2.76Å; C208-L251 HydrophobicContact CB-CB 4.5Å
209M96.1Very high90.3Very high14 Ų1428.8 Ų28.87%0.06915%0.154CC..EExtended strand (participates in β ladder)trans-149.7149.7-179.6-69.8-177.572.900109.6V157 F166 A168 I174 I206 L218 A219 T220V157-M209 HydrophobicContact CG2-CB 3.54Å; V157-M209 WeakPolarHBondContact CG2-O 3.42Å; F166-M209 HydrophobicContact CB-CE 3.86Å; A168-M209 HydrophobicContact CB-CG 4.35Å; A168-M209 HydrophobicContact CB-SD 3.4Å; A168-M209 WeakPolarHBondContact CB-SD 3.19Å; I174-M209 HydrophobicContact CG2-CE 3.87Å; I206-M209 HydrophobicContact CG2-CG 4.11Å; M209-L218 HydrophobicContact CE-CD1 3.83Å; M209-L218 HydrophobicContact CE-CD2 3.75Å; M209-L218 HydrophobicContact CE-CG 4.01Å; M209-A219 CarbonylContact C-O 3.51Å; M209-A219 VanDerWaalsContact CA-O 3.27Å; M209-A219 WeakPolarHBondContact CA-O 3.47Å; M209-T220 HydrophobicContact CE-CG2 3.55Å; M209-T220 HydrophobicContact CG-CG2 3.75Å; M209-T220 HydrophobicContact SD-CG2 4.25Å
210A96.1Very high91.4Very high6 Ų625.8 Ų25.85%0.0514%0.14CC..EExtended strand (participates in β ladder)trans-145.1155.5171.900000110.3L218 A219 L251 F253A210-L218 CarbonylContact O-C 3.56Å; A210-A219 PolarHBondContact N-O 2.75Å; A210-A219 PolarHBondContact O-N 2.85Å; A210-L251 HydrophobicContact CB-CB 4.03Å; A210-F253 HydrophobicContact CB-CD2 3.75Å; A210-F253 HydrophobicContact CB-CE2 4.27Å
211I95.6Very high92.4Very high13 Ų1321.1 Ų21.17%0.06711%0.112CC..EExtended strand (participates in β ladder)trans-124.2145.7172.7-158175.3000109.9V157 T159 F166 Y217 L218 F253V157-I211 HydrophobicContact CG1-CB 3.71Å; V157-I211 HydrophobicContact CG1-CG2 3.42Å; V157-I211 VanDerWaalsContact CG1-CG2 3.42Å; T159-I211 HydrophobicContact CG2-CD1 3.87Å; F166-I211 HydrophobicContact CD2-CD1 4.22Å; F166-I211 HydrophobicContact CE2-CD1 3.77Å; I211-Y217 CarbonylContact C-O 3.6Å; I211-Y217 WeakPolarHBondContact CA-O 3.14Å; I211-Y217 WeakPolarHBondContact CG1-O 3.46Å; I211-L218 HydrophobicContact CB-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD1 4.25Å; I211-F253 WeakPolarHBondContact O-CD2 3.43Å
212S94.9Very high93Very high0 Ų021 Ų210%011%0.111CC..  trans-65.7159.9173.661.60000111.6P160 D214 G215 K216 Y217P160-S212 WeakPolarHBondContact CG-O 3.36Å; S212-D214 WeakPolarHBondContact CB-OD1 3.39Å; S212-D214 PolarHBondContact O-N 2.72Å; S212-D214 PolarHBondContact OG-OD1 3.09Å; S212-G215 PolarHBondContact O-N 3.06Å; S212-G215 VanDerWaalsContact O-N 3.1Å; S212-K216 PolarHBondContact OG-N 2.88Å; S212-Y217 PolarHBondContact N-O 2.98Å; S212-Y217 PolarHBondContact OG-N 2.91Å; S212-Y217 PolarHBondContact OG-O 3.41Å
213S91.3Very high93.4Very high40 Ų4025 Ų2528%0.2813%0.131SC..THydrogen-bonded Turntrans-70.5-11.8-173.6-58.30000114.7P160 R254 K255 G256P160-S213 VanDerWaalsContact CG-O 3.29Å; P160-S213 WeakPolarHBondContact CG-O 3.45Å; S213-R254 PolarHBondContact OG-O 3.44Å; S213-K255 VanDerWaalsContact OG-CA 3.32Å; S213-K255 WeakPolarHBondContact OG-CA 3.45Å; S213-G256 PolarHBondContact OG-N 2.7Å
214D91.1Very high93.6Very high59 Ų5926.7 Ų26.732%0.31614%0.139SC..THydrogen-bonded Turntrans-109.76.4176.668-20.5000112.7S212 K216 H258S212-D214 WeakPolarHBondContact CB-OD1 3.39Å; S212-D214 PolarHBondContact O-N 2.72Å; S212-D214 PolarHBondContact OG-OD1 3.09Å; D214-K216 PolarHBondContact O-N 3.36Å; D214-K216 VanDerWaalsContact O-N 3.07Å; D214-K216 PolarHBondContact OD1-N 3.49Å; D214-K216 VanDerWaalsContact OD2-CD 3.28Å; D214-K216 WeakPolarHBondContact OD2-CD 3.21Å; D214-K216 VanDerWaalsContact OD2-CE 3.23Å; D214-K216 WeakPolarHBondContact OD2-CE 3.36Å; D214-K216 WeakPolarHBondContact OD2-CG 3.2Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.94Å; D214-H258 IonicContact OD1-CE1 3.97Å; D214-H258 PolarHBondContact OD1-CE1 2.8Å; D214-H258 IonicContact OD2-CE1 2.71Å; D214-H258 PolarHBondContact OD2-CE1 3.42Å; D214-H258 VanDerWaalsContact OD2-CE1 3.24Å; D214-H258 IonicContact OD2-NE2 2.67Å
215G91Very high93.7Very high14 Ų1428.1 Ų28.114%0.14414%0.144CC..SBendtrans71.4-7.5-179.900000116.6S212 Y217 G232S212-G215 PolarHBondContact O-N 3.06Å; S212-G215 VanDerWaalsContact O-N 3.1Å; G215-Y217 PolarHBondContact O-N 3.12Å; G215-G232 WeakPolarHBondContact O-CA 3.49Å
216K92.5Very high93.8Very high117 Ų11724.9 Ų24.951%0.50913%0.13SC..SBendtrans-66.3-36.2-174.6-68.5-167.8-151.6107.20114.1S212 D214 G232S212-K216 PolarHBondContact OG-N 2.88Å; D214-K216 PolarHBondContact O-N 3.36Å; D214-K216 VanDerWaalsContact O-N 3.07Å; D214-K216 PolarHBondContact OD1-N 3.49Å; D214-K216 VanDerWaalsContact OD2-CD 3.28Å; D214-K216 WeakPolarHBondContact OD2-CD 3.21Å; D214-K216 VanDerWaalsContact OD2-CE 3.23Å; D214-K216 WeakPolarHBondContact OD2-CE 3.36Å; D214-K216 WeakPolarHBondContact OD2-CG 3.2Å; D214-K216 IonicContact OD2-NZ 2.7Å; D214-K216 PolarHBondContact OD2-NZ 2.94Å; K216-G232 PolarHBondContact O-N 2.89Å
217Y95.3Very high93.8Very high47 Ų4724.9 Ų24.918%0.18413%0.13CC..EExtended strand (participates in β ladder)trans-118.7127.8-174.4-58.5-59.8000111.9I211 S212 G215 I229 W230 L238 H258 V274I211-Y217 CarbonylContact C-O 3.6Å; I211-Y217 WeakPolarHBondContact CA-O 3.14Å; I211-Y217 WeakPolarHBondContact CG1-O 3.46Å; S212-Y217 PolarHBondContact N-O 2.98Å; S212-Y217 PolarHBondContact OG-N 2.91Å; S212-Y217 PolarHBondContact OG-O 3.41Å; G215-Y217 PolarHBondContact O-N 3.12Å; Y217-I229 HydrophobicContact CD1-CG2 4.17Å; Y217-W230 WeakPolarHBondContact CA-O 3.34Å; Y217-L238 HydrophobicContact CD1-CD1 3.88Å; Y217-L238 HydrophobicContact CE1-CD1 3.82Å; Y217-H258 AromaticContact CD2-ND1 3.68Å; Y217-H258 AromaticContact CE2-ND1 3.89Å; Y217-V274 HydrophobicContact CD1-CG1 4.14Å; Y217-V274 HydrophobicContact CD2-CG1 3.91Å; Y217-V274 HydrophobicContact CE1-CG1 4.47Å; Y217-V274 HydrophobicContact CE2-CG1 4.25Å; Y217-V274 HydrophobicContact CG-CG1 3.85Å
218L95.9Very high93.9Very high2 Ų225.1 Ų25.11%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-110.4115171.7-177.377.8000109F166 I174 M209 A210 I211 T220 I229 W230F166-L218 HydrophobicContact CB-CD1 4.2Å; F166-L218 HydrophobicContact CD1-CD1 4.31Å; F166-L218 HydrophobicContact CD1-CD2 3.56Å; F166-L218 HydrophobicContact CD2-CD1 3.95Å; F166-L218 HydrophobicContact CE1-CD2 3.78Å; F166-L218 HydrophobicContact CE2-CD1 4.38Å; F166-L218 HydrophobicContact CG-CD1 3.9Å; F166-L218 HydrophobicContact CG-CD2 4Å; F166-L218 HydrophobicContact CZ-CD2 4.41Å; I174-L218 HydrophobicContact CG2-CD2 4.38Å; M209-L218 HydrophobicContact CE-CD1 3.83Å; M209-L218 HydrophobicContact CE-CD2 3.75Å; M209-L218 HydrophobicContact CE-CG 4.01Å; A210-L218 CarbonylContact O-C 3.56Å; I211-L218 HydrophobicContact CB-CD1 4.17Å; I211-L218 HydrophobicContact CG1-CD1 4.25Å; L218-T220 HydrophobicContact CD2-CG2 4.34Å; L218-T220 HydrophobicContact CG-CG2 4.29Å; L218-I229 WeakPolarHBondContact O-CA 3.07Å; L218-W230 HydrophobicContact CB-CB 4.3Å; L218-W230 PolarHBondContact N-O 2.96Å; L218-W230 PolarHBondContact O-N 3.49Å
219A96.3Very high93.9Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-93.6137.9174.100000110.5M209 A210 I229 L251 F253 L260M209-A219 CarbonylContact C-O 3.51Å; M209-A219 VanDerWaalsContact CA-O 3.27Å; M209-A219 WeakPolarHBondContact CA-O 3.47Å; A210-A219 PolarHBondContact N-O 2.75Å; A210-A219 PolarHBondContact O-N 2.85Å; A219-I229 HydrophobicContact CB-CD1 3.65Å; A219-L251 HydrophobicContact CB-CD1 4.24Å; A219-F253 HydrophobicContact CB-CE2 3.63Å; A219-F253 HydrophobicContact CB-CZ 4Å; A219-L260 HydrophobicContact CB-CD1 3.73Å; A219-L260 HydrophobicContact CB-CD2 3.7Å; A219-L260 HydrophobicContact CB-CG 4.4Å
220T95.9Very high93.9Very high0 Ų024.2 Ų24.20%013%0.126CC..EExtended strand (participates in β ladder)trans-138.6130.4-177.653.50000110.6I174 H202 M209 L218 I227 M228 W230I174-T220 HydrophobicContact CD1-CG2 3.62Å; I174-T220 HydrophobicContact CG1-CG2 4.48Å; H202-T220 PolarHBondContact CE1-OG1 3.46Å; H202-T220 WeakPolarHBondContact NE2-CB 3.48Å; H202-T220 PolarHBondContact NE2-OG1 3.02Å; M209-T220 HydrophobicContact CE-CG2 3.55Å; M209-T220 HydrophobicContact CG-CG2 3.75Å; M209-T220 HydrophobicContact SD-CG2 4.25Å; L218-T220 HydrophobicContact CD2-CG2 4.34Å; L218-T220 HydrophobicContact CG-CG2 4.29Å; T220-I227 CarbonylContact O-C 3.54Å; T220-I227 WeakPolarHBondContact O-CA 3.24Å; T220-M228 PolarHBondContact N-O 3.38Å; T220-M228 PolarHBondContact O-N 2.87Å; T220-M228 PolarHBondContact OG1-O 3.23Å; T220-W230 PolarHBondContact OG1-NE1 2.65Å
221G94.7Very high93.8Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-120.6135.6-17300000112.7L207 C208 L226 L251L207-G221 PolarHBondContact N-O 3.01Å; C208-G221 PolarHBondContact N-O 2.7Å; C208-G221 PolarHBondContact O-N 2.85Å; G221-L226 WeakPolarHBondContact CA-O 3.5Å; G221-L251 VanDerWaalsContact N-CD1 3.29Å
222D92.6Very high93.5Very high0 Ų026.6 Ų26.60%014%0.137CC..EExtended strand (participates in β ladder)trans-119.6172.8-170.883.8-1.1000115.5H202 H205 N224 N225 L226 V248H202-D222 IonicContact ND1-OD2 3.58Å; H205-D222 WeakPolarHBondContact O-CA 3.45Å; D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact OD1-C 3.28Å; D222-N224 VanDerWaalsContact OD1-CA 3.29Å; D222-N224 WeakPolarHBondContact OD1-CA 3.2Å; D222-N224 WeakPolarHBondContact OD1-CB 3.35Å; D222-N224 PolarHBondContact OD1-N 3.19Å; D222-N225 PolarHBondContact O-N 3.42Å; D222-N225 PolarHBondContact OD1-N 2.85Å; D222-N225 VanDerWaalsContact OD1-N 3.13Å; D222-L226 PolarHBondContact N-O 2.63Å; D222-L226 VanDerWaalsContact N-O 3.12Å; D222-L226 WeakPolarHBondContact OD1-CB 3.22Å; D222-L226 PolarHBondContact OD1-N 2.64Å; D222-V248 PolarHBondContact O-N 3.44Å
223M92.3Very high93.2Very high86 Ų8634.3 Ų34.342%0.42417%0.173SC..THydrogen-bonded Turntrans-74.3-4.4175.7-162.173.6-174.800113.9A204 H205 L207 P247A204-M223 HydrophobicContact CB-CB 4.09Å; H205-M223 PolarHBondContact O-N 3.41Å; L207-M223 HydrophobicContact CD1-SD 3.87Å; M223-P247 HydrophobicContact CE-CB 4.47Å; M223-P247 HydrophobicContact CE-CG 3.73Å; M223-P247 HydrophobicContact CG-CG 4.15Å; M223-P247 HydrophobicContact SD-CB 3.66Å; M223-P247 HydrophobicContact SD-CG 3.47Å; M223-P247 WeakPolarHBondContact SD-CG 3.49Å
224N90.9Very high93Very high46 Ų4634.8 Ų34.825%0.24617%0.174CC..THydrogen-bonded Turntrans-99.213.6174.2-75-10.3000112.5E196 T203 A204 D222 L226E196-N224 PolarHBondContact OE1-ND2 3.18Å; T203-N224 PolarHBondContact OG1-ND2 3.15Å; A204-N224 HydrophobicContact CB-CB 4.28Å; A204-N224 VanDerWaalsContact CB-CG 3.44Å; A204-N224 WeakPolarHBondContact CB-OD1 3.22Å; D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact OD1-C 3.28Å; D222-N224 VanDerWaalsContact OD1-CA 3.29Å; D222-N224 WeakPolarHBondContact OD1-CA 3.2Å; D222-N224 WeakPolarHBondContact OD1-CB 3.35Å; D222-N224 PolarHBondContact OD1-N 3.19Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 HydrophobicContact CB-CD1 4.31Å; N224-L226 HydrophobicContact CB-CG 4.3Å; N224-L226 PolarHBondContact O-N 3.26Å
225N92.2Very high92.9Very high46 Ų4632.4 Ų32.425%0.24616%0.162CC..SBendtrans72.915.3178.2-33.7-18.4000114.1D222 H244 K245 G246 P247D222-N225 PolarHBondContact O-N 3.42Å; D222-N225 PolarHBondContact OD1-N 2.85Å; D222-N225 VanDerWaalsContact OD1-N 3.13Å; N225-H244 HydrophobicContact CB-CB 4.2Å; N225-K245 PolarHBondContact ND2-O 3.33Å; N225-G246 WeakPolarHBondContact CB-O 3.5Å; N225-G246 PolarHBondContact ND2-N 3.07Å; N225-G246 WeakPolarHBondContact OD1-CA 3.27Å; N225-G246 PolarHBondContact OD1-O 2.93Å; N225-P247 WeakPolarHBondContact OD1-CD 3.45Å; N225-P247 VanDerWaalsContact OD1-N 3.09Å
226L92.3Very high92.9Very high18 Ų1837.8 Ų37.89%0.09418%0.181CC..EExtended strand (participates in β ladder)trans-97.6146-176.2-56.4176000111G221 D222 N224 M228 K240 T242G221-L226 WeakPolarHBondContact CA-O 3.5Å; D222-L226 PolarHBondContact N-O 2.63Å; D222-L226 VanDerWaalsContact N-O 3.12Å; D222-L226 WeakPolarHBondContact OD1-CB 3.22Å; D222-L226 PolarHBondContact OD1-N 2.64Å; N224-L226 VanDerWaalsContact C-N 3.28Å; N224-L226 HydrophobicContact CB-CD1 4.31Å; N224-L226 HydrophobicContact CB-CG 4.3Å; N224-L226 PolarHBondContact O-N 3.26Å; L226-M228 HydrophobicContact CD1-CE 4.23Å; L226-K240 VanDerWaalsContact CD2-CE 3.49Å; L226-T242 HydrophobicContact CD2-CG2 3.9Å
227I95.3Very high92.9Very high1 Ų135 Ų351%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-117119165.2-52.8168.1000107.3T220 I229 K240 F241 V248 L251 L260 W272T220-I227 CarbonylContact O-C 3.54Å; T220-I227 WeakPolarHBondContact O-CA 3.24Å; I227-I229 HydrophobicContact CG2-CD1 4.04Å; I227-K240 CarbonylContact O-C 3.59Å; I227-K240 WeakPolarHBondContact O-CA 3.23Å; I227-F241 HydrophobicContact CB-CB 4.23Å; I227-F241 HydrophobicContact CB-CD2 4.41Å; I227-F241 HydrophobicContact CG2-CD2 4.29Å; I227-F241 PolarHBondContact N-O 2.96Å; I227-F241 PolarHBondContact O-N 3Å; I227-V248 HydrophobicContact CD1-CG1 4.41Å; I227-V248 HydrophobicContact CG1-CG1 4.15Å; I227-V248 HydrophobicContact CG1-CG2 3.93Å; I227-L251 HydrophobicContact CD1-CD2 3.98Å; I227-L251 HydrophobicContact CG1-CD2 4.3Å; I227-L251 HydrophobicContact CG2-CD1 4.21Å; I227-L251 HydrophobicContact CG2-CD2 4.16Å; I227-L260 HydrophobicContact CG2-CD2 4.13Å; I227-W272 HydrophobicContact CD1-CZ2 4.27Å
228M94.6Very high92.7Very high10 Ų1035.7 Ų35.75%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-103.8130.7173-62.2-176.4-166.200109.8T220 L226 W230 Y239T220-M228 PolarHBondContact N-O 3.38Å; T220-M228 PolarHBondContact O-N 2.87Å; T220-M228 PolarHBondContact OG1-O 3.23Å; L226-M228 HydrophobicContact CD1-CE 4.23Å; M228-W230 HydrophobicContact CB-CZ2 4.13Å; M228-W230 HydrophobicContact SD-CZ2 3.8Å; M228-Y239 WeakPolarHBondContact CA-O 3.43Å
229I95.6Very high92.4Very high0 Ų040.3 Ų40.30%019%0.194CC..EExtended strand (participates in β ladder)trans-101.8130.1175.5-51.7-56000108.9Y217 L218 A219 I227 L238 Y239 F241 L260 V274Y217-I229 HydrophobicContact CD1-CG2 4.17Å; L218-I229 WeakPolarHBondContact O-CA 3.07Å; A219-I229 HydrophobicContact CB-CD1 3.65Å; I227-I229 HydrophobicContact CG2-CD1 4.04Å; I229-L238 PolarHBondContact O-N 2.79Å; I229-Y239 PolarHBondContact N-O 3.05Å; I229-Y239 PolarHBondContact O-N 2.83Å; I229-F241 HydrophobicContact CD1-CD2 4.11Å; I229-F241 HydrophobicContact CD1-CE2 3.75Å; I229-F241 HydrophobicContact CG1-CD2 4Å; I229-F241 HydrophobicContact CG1-CE2 3.56Å; I229-F241 HydrophobicContact CG1-CZ 4.14Å; I229-L260 HydrophobicContact CD1-CD2 3.77Å; I229-V274 HydrophobicContact CG2-CG1 3.94Å
230W94.9Very high92.2Very high4 Ų444.7 Ų44.72%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-122.9151.2-178.5-4978.2000111I174 I188 V200 Y217 L218 T220 M228 G232 K236 H237I174-W230 HydrophobicContact CD1-CZ2 4.27Å; I188-W230 HydrophobicContact CD1-CD2 3.81Å; I188-W230 HydrophobicContact CD1-CE3 3.43Å; I188-W230 VanDerWaalsContact CD1-CE3 3.43Å; I188-W230 HydrophobicContact CD1-CH2 4.09Å; I188-W230 HydrophobicContact CD1-CZ2 4.4Å; I188-W230 HydrophobicContact CD1-CZ3 3.58Å; I188-W230 HydrophobicContact CG1-CE3 4.28Å; I188-W230 HydrophobicContact CG1-CZ3 4Å; I188-W230 HydrophobicContact CG2-CH2 3.67Å; I188-W230 HydrophobicContact CG2-CZ2 4.36Å; I188-W230 HydrophobicContact CG2-CZ3 3.94Å; V200-W230 HydrophobicContact CG1-CZ3 4.46Å; Y217-W230 WeakPolarHBondContact CA-O 3.34Å; L218-W230 HydrophobicContact CB-CB 4.3Å; L218-W230 PolarHBondContact N-O 2.96Å; L218-W230 PolarHBondContact O-N 3.49Å; T220-W230 PolarHBondContact OG1-NE1 2.65Å; M228-W230 HydrophobicContact CB-CZ2 4.13Å; M228-W230 HydrophobicContact SD-CZ2 3.8Å; W230-G232 PolarHBondContact O-N 2.96Å; W230-K236 CarbonylContact C-O 3.6Å; W230-K236 WeakPolarHBondContact CA-O 3.21Å; W230-K236 WeakPolarHBondContact CB-O 3.48Å; W230-H237 HydrophobicContact CD2-CB 4.4Å; W230-H237 HydrophobicContact CE3-CB 3.79Å; W230-H237 VanDerWaalsContact CE3-N 3.32Å; W230-H237 HydrophobicContact CH2-CB 4.13Å; W230-H237 HydrophobicContact CZ3-CB 3.65Å
231E94.6Very high92.1Very high64 Ų6445.3 Ų45.330%0.29922%0.216SC..EExtended strand (participates in β ladder)trans-72.1117.4168.8-176.8171.4-130.300109.3E233 T234 C235 K236 L238E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.05Å; E231-T234 HydrophobicContact CG-CG2 4.28Å; E231-T234 WeakPolarHBondContact OE2-CB 3.09Å; E231-T234 WeakPolarHBondContact OE2-CG2 3.47Å; E231-T234 PolarHBondContact OE2-OG1 3.31Å; E231-C235 WeakPolarHBondContact O-CA 3.34Å; E231-C235 PolarHBondContact O-N 2.96Å; E231-K236 PolarHBondContact N-O 3.15Å; E231-K236 IonicContact OE2-NZ 3.49Å; E231-L238 HydrophobicContact CB-CD1 4.11Å; E231-L238 HydrophobicContact CB-CD2 4.25Å; E231-L238 HydrophobicContact CB-CG 4.22Å
232G88.6Confident91.9Very high5 Ų549.8 Ų49.85%0.05224%0.244CC..THydrogen-bonded Turntrans-66.1-29.7-171.500000114.3F166 K176 G215 K216 W230F166-G232 WeakPolarHBondContact CZ-O 3.44Å; K176-G232 PolarHBondContact NZ-O 3.22Å; G215-G232 WeakPolarHBondContact O-CA 3.49Å; K216-G232 PolarHBondContact O-N 2.89Å; W230-G232 PolarHBondContact O-N 2.96Å
233E89.1Confident91.8Very high161 Ų16151.7 Ų51.775%0.75226%0.264SS*.THydrogen-bonded Turntrans-70.8-61.4174-69.3-162.116700111.7K176 E231K176-E233 PolarHBondContact NZ-O 3.47Å; E231-E233 VanDerWaalsContact C-N 3.33Å; E231-E233 PolarHBondContact O-N 3.05Å
234T87.7Confident91.9Very high50 Ų5048.3 Ų48.331%0.30725%0.246SC..THydrogen-bonded Turntrans-87.7-14.6-167.776.30000114.4E231 K236E231-T234 HydrophobicContact CG-CG2 4.28Å; E231-T234 WeakPolarHBondContact OE2-CB 3.09Å; E231-T234 WeakPolarHBondContact OE2-CG2 3.47Å; E231-T234 PolarHBondContact OE2-OG1 3.31Å; T234-K236 PolarHBondContact O-N 2.78Å; T234-K236 WeakPolarHBondContact OG1-CB 3.4Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å; T234-K236 VanDerWaalsContact OG1-CG 3.23Å; T234-K236 WeakPolarHBondContact OG1-CG 3.24Å; T234-K236 PolarHBondContact OG1-N 2.99Å
235C89.4Confident92Very high9 Ų955 Ų556%0.06127%0.273CS..  trans60.923.8-171.9-57.90000114.7H186 I188 E231H186-C235 HydrophobicContact CB-CB 4.31Å; H186-C235 WeakPolarHBondContact CD2-CB 3.25Å; I188-C235 HydrophobicContact CD1-CB 4.09Å; I188-C235 HydrophobicContact CG1-CB 4.33Å; E231-C235 WeakPolarHBondContact O-CA 3.34Å; E231-C235 PolarHBondContact O-N 2.96Å
236K90.2Very high92.1Very high127 Ų12753.1 Ų53.155%0.55227%0.265SS*.  trans-74.6143.7170.1-67.8167.7-157.8153.60111.2W230 E231 T234W230-K236 CarbonylContact C-O 3.6Å; W230-K236 WeakPolarHBondContact CA-O 3.21Å; W230-K236 WeakPolarHBondContact CB-O 3.48Å; E231-K236 PolarHBondContact N-O 3.15Å; E231-K236 IonicContact OE2-NZ 3.49Å; T234-K236 PolarHBondContact O-N 2.78Å; T234-K236 WeakPolarHBondContact OG1-CB 3.4Å; T234-K236 WeakPolarHBondContact OG1-CD 3.47Å; T234-K236 VanDerWaalsContact OG1-CG 3.23Å; T234-K236 WeakPolarHBondContact OG1-CG 3.24Å; T234-K236 PolarHBondContact OG1-N 2.99Å
237H92Very high92.3Very high58 Ų5853.2 Ų53.227%0.26927%0.267SS..EExtended strand (participates in β ladder)trans-70.2133.3168.5177.1-76.5000109.9V200 W230 Y239V200-H237 HydrophobicContact CG1-CB 3.3Å; W230-H237 HydrophobicContact CD2-CB 4.4Å; W230-H237 HydrophobicContact CE3-CB 3.79Å; W230-H237 VanDerWaalsContact CE3-N 3.32Å; W230-H237 HydrophobicContact CH2-CB 4.13Å; W230-H237 HydrophobicContact CZ3-CB 3.65Å; H237-Y239 VanDerWaalsContact CE1-C 3.49Å
238L91.8Very high92.3Very high62 Ų6253.2 Ų53.233%0.32527%0.267SS..EExtended strand (participates in β ladder)trans-105.2-63.6174.2-58.2175.8000110.1Y217 I229 E231Y217-L238 HydrophobicContact CD1-CD1 3.88Å; Y217-L238 HydrophobicContact CE1-CD1 3.82Å; I229-L238 PolarHBondContact O-N 2.79Å; E231-L238 HydrophobicContact CB-CD1 4.11Å; E231-L238 HydrophobicContact CB-CD2 4.25Å; E231-L238 HydrophobicContact CB-CG 4.22Å
239Y89.3Confident92.3Very high99 Ų9952.8 Ų52.839%0.38827%0.265SS..EExtended strand (participates in β ladder)trans-136.6150.8-169.3-57.1-81.8000112.9M228 I229 H237 N277M228-Y239 WeakPolarHBondContact CA-O 3.43Å; I229-Y239 PolarHBondContact N-O 3.05Å; I229-Y239 PolarHBondContact O-N 2.83Å; H237-Y239 VanDerWaalsContact CE1-C 3.49Å; Y239-N277 HydrophobicContact CD1-CB 4.18Å; Y239-N277 WeakPolarHBondContact CD2-ND2 3.43Å; Y239-N277 HydrophobicContact CE1-CB 4.28Å; Y239-N277 VanDerWaalsContact CE1-CG 3.46Å; Y239-N277 WeakPolarHBondContact CE1-OD1 3.38Å; Y239-N277 WeakPolarHBondContact CE2-ND2 3.37Å; Y239-N277 HydrophobicContact CG-CB 4.43Å; Y239-N277 VanDerWaalsContact CZ-CG 3.45Å; Y239-N277 PolarHBondContact OH-OD1 3.26Å
240K91.9Very high92.2Very high92 Ų9253 Ų5340%0.427%0.267SS..EExtended strand (participates in β ladder)trans-120.6105.5176.4175.9179.4174.7172.50108.6L226 I227 T242L226-K240 VanDerWaalsContact CD2-CE 3.49Å; I227-K240 CarbonylContact O-C 3.59Å; I227-K240 WeakPolarHBondContact O-CA 3.23Å; K240-T242 HydrophobicContact CG-CG2 4.38Å
241F93.3Very high92.3Very high14 Ų1453.2 Ų53.26%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-81.6135.6172.7-58.5-48.1000110.6I227 I229 L260 W272 V274 N277I227-F241 HydrophobicContact CB-CB 4.23Å; I227-F241 HydrophobicContact CB-CD2 4.41Å; I227-F241 HydrophobicContact CG2-CD2 4.29Å; I227-F241 PolarHBondContact N-O 2.96Å; I227-F241 PolarHBondContact O-N 3Å; I229-F241 HydrophobicContact CD1-CD2 4.11Å; I229-F241 HydrophobicContact CD1-CE2 3.75Å; I229-F241 HydrophobicContact CG1-CD2 4Å; I229-F241 HydrophobicContact CG1-CE2 3.56Å; I229-F241 HydrophobicContact CG1-CZ 4.14Å; F241-L260 HydrophobicContact CE2-CD2 4.29Å; F241-W272 HydrophobicContact CB-CD2 4.33Å; F241-W272 HydrophobicContact CB-CE3 3.93Å; F241-W272 HydrophobicContact CB-CH2 3.99Å; F241-W272 HydrophobicContact CB-CZ2 4.37Å; F241-W272 HydrophobicContact CB-CZ3 3.75Å; F241-W272 AromaticContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CZ3 4.27Å; F241-W272 HydrophobicContact CD2-CB 4.48Å; F241-W272 HydrophobicContact CD2-CD2 4.16Å; F241-W272 HydrophobicContact CD2-CE3 4.2Å; F241-W272 HydrophobicContact CD2-CG 4.29Å; F241-W272 HydrophobicContact CE2-CB 4.16Å; F241-W272 HydrophobicContact CE2-CG 4.46Å; F241-W272 HydrophobicContact CG-CD2 4.19Å; F241-W272 AromaticContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CZ3 4.09Å; F241-V274 HydrophobicContact CE2-CG2 4.18Å; F241-V274 HydrophobicContact CZ-CG2 4.42Å; F241-N277 HydrophobicContact CE1-CB 4.13Å; F241-N277 WeakPolarHBondContact CE1-O 3.45Å
242T91.6Very high92.4Very high94 Ų9450.9 Ų50.958%0.57726%0.259SS*.EExtended strand (participates in β ladder)trans-128.3130.7177.354.80000109.1L226 K240L226-T242 HydrophobicContact CD2-CG2 3.9Å; K240-T242 HydrophobicContact CG-CG2 4.38Å
243G89.6Confident92.7Very high40 Ų4050.9 Ų50.941%0.41226%0.258SS..  trans168.1-16.1178.300000115.5K270G243-K270 VanDerWaalsContact O-CE 3.28Å; G243-K270 WeakPolarHBondContact O-CE 3.34Å
244H94.9Very high93Very high14 Ų1445.1 Ų45.17%0.06523%0.229CC..  trans-74.8148.9167.1-80.7-63.8000111.9N225 S262 S264 D266N225-H244 HydrophobicContact CB-CB 4.2Å; H244-S262 PolarHBondContact NE2-OG 2.97Å; H244-S264 VanDerWaalsContact CE1-CB 3.45Å; H244-S264 WeakPolarHBondContact CE1-CB 3.32Å; H244-S264 WeakPolarHBondContact ND1-CB 3.34Å; H244-D266 VanDerWaalsContact CA-OD2 3.32Å; H244-D266 WeakPolarHBondContact CA-OD2 3.21Å; H244-D266 IonicContact CG-OD2 3.61Å; H244-D266 IonicContact ND1-OD1 3.49Å; H244-D266 PolarHBondContact ND1-OD1 2.94Å; H244-D266 IonicContact ND1-OD2 2.95Å; H244-D266 PolarHBondContact ND1-OD2 2.95Å
245K94.1Very high93.1Very high186 Ų18646.6 Ų46.681%0.80923%0.231SC*.SBendtrans-99.3-7.2177.7-61.9-178.8-178.21780113N225 D266N225-K245 PolarHBondContact ND2-O 3.33Å; K245-D266 HydrophobicContact CB-CB 3.97Å; K245-D266 PolarHBondContact N-OD2 2.89Å
246G94.4Very high93Very high8 Ų849.4 Ų49.48%0.08226%0.262CS..SBendtrans-144.5172.2176.600000112.4N225 S264N225-G246 WeakPolarHBondContact CB-O 3.5Å; N225-G246 PolarHBondContact ND2-N 3.07Å; N225-G246 WeakPolarHBondContact OD1-CA 3.27Å; N225-G246 PolarHBondContact OD1-O 2.93Å; G246-S264 VanDerWaalsContact C-OG 3.23Å; G246-S264 PolarHBondContact O-OG 3.36Å
247P94.8Very high93.1Very high20 Ų2045.2 Ų45.213%0.1325%0.247CC..  trans-45.8140.6179.9-34.235.9000114L207 M223 N225 S264 H265L207-P247 HydrophobicContact CD1-CB 4.05Å; M223-P247 HydrophobicContact CE-CB 4.47Å; M223-P247 HydrophobicContact CE-CG 3.73Å; M223-P247 HydrophobicContact CG-CG 4.15Å; M223-P247 HydrophobicContact SD-CB 3.66Å; M223-P247 HydrophobicContact SD-CG 3.47Å; M223-P247 WeakPolarHBondContact SD-CG 3.49Å; N225-P247 WeakPolarHBondContact OD1-CD 3.45Å; N225-P247 VanDerWaalsContact OD1-N 3.09Å; P247-S264 CarbonylContact O-C 3.58Å; P247-S264 WeakPolarHBondContact O-CA 3.4Å; P247-S264 WeakPolarHBondContact O-CB 3.18Å; P247-S264 PolarHBondContact O-OG 2.93Å; P247-H265 PolarHBondContact O-N 3.04Å
248V96.1Very high93.3Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-87.8110.6176.5-169.90000108.5L207 C208 D222 I227 L251 A263L207-V248 WeakPolarHBondContact CB-O 3.27Å; C208-V248 PolarHBondContact SG-O 2.76Å; D222-V248 PolarHBondContact O-N 3.44Å; I227-V248 HydrophobicContact CD1-CG1 4.41Å; I227-V248 HydrophobicContact CG1-CG1 4.15Å; I227-V248 HydrophobicContact CG1-CG2 3.93Å; V248-L251 HydrophobicContact CG1-CD2 4.14Å; V248-L251 HydrophobicContact CG1-CG 4.08Å; V248-A263 CarbonylContact C-O 3.54Å; V248-A263 WeakPolarHBondContact CA-O 3.24Å; V248-A263 WeakPolarHBondContact CG1-O 3.31Å
249S94.4Very high93.4Very high2 Ų242.9 Ų42.91%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-99.8-22.9-169.853.80000113.9A263 I290S249-A263 PolarHBondContact N-O 3.24Å; S249-A263 PolarHBondContact OG-O 3.13Å; S249-I290 WeakPolarHBondContact CB-O 3.37Å; S249-I290 PolarHBondContact OG-O 3.14Å
250G94.2Very high93.8Very high4 Ų438.1 Ų38.14%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-142.3142.5176.700000111.9S262 A263G250-S262 WeakPolarHBondContact O-CA 3.26Å; G250-A263 PolarHBondContact N-O 3.42Å; G250-A263 PolarHBondContact O-N 2.95Å
251L96.7Very high94Very high9 Ų934 Ų345%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-138.9138.9171.5-75169.3000107.6C208 A210 A219 G221 I227 V248 L260 Y261C208-L251 HydrophobicContact CB-CB 4.5Å; A210-L251 HydrophobicContact CB-CB 4.03Å; A219-L251 HydrophobicContact CB-CD1 4.24Å; G221-L251 VanDerWaalsContact N-CD1 3.29Å; I227-L251 HydrophobicContact CD1-CD2 3.98Å; I227-L251 HydrophobicContact CG1-CD2 4.3Å; I227-L251 HydrophobicContact CG2-CD1 4.21Å; I227-L251 HydrophobicContact CG2-CD2 4.16Å; V248-L251 HydrophobicContact CG1-CD2 4.14Å; V248-L251 HydrophobicContact CG1-CG 4.08Å; L251-L260 HydrophobicContact CD2-CD1 4.09Å; L251-L260 HydrophobicContact CD2-CD2 4.3Å; L251-L260 HydrophobicContact CD2-CG 4.29Å; L251-Y261 WeakPolarHBondContact CA-O 3.42Å
252S96.2Very high94.2Very high15 Ų1533.3 Ų33.311%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-151.8143.6165.1-159.50000110Y261 D294 S295S252-Y261 PolarHBondContact N-O 2.96Å; S252-Y261 PolarHBondContact O-N 2.91Å; S252-D294 PolarHBondContact OG-OD1 3.44Å; S252-S295 WeakPolarHBondContact CB-OG 3.46Å; S252-S295 PolarHBondContact OG-OG 1.85Å
253F96Very high94.5Very high4 Ų428.8 Ų28.82%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-87.5147.4171.4-82.1-85.5000109.5A210 I211 A219 D259 L260 V274 S295A210-F253 HydrophobicContact CB-CD2 3.75Å; A210-F253 HydrophobicContact CB-CE2 4.27Å; I211-F253 WeakPolarHBondContact O-CD2 3.43Å; A219-F253 HydrophobicContact CB-CE2 3.63Å; A219-F253 HydrophobicContact CB-CZ 4Å; F253-D259 WeakPolarHBondContact CA-O 3.23Å; F253-L260 HydrophobicContact CD1-CB 4.15Å; F253-L260 HydrophobicContact CD1-CD1 4.23Å; F253-L260 HydrophobicContact CD2-CD1 3.96Å; F253-L260 HydrophobicContact CE1-CB 3.98Å; F253-L260 HydrophobicContact CE1-CD1 4.22Å; F253-L260 HydrophobicContact CE2-CD1 3.95Å; F253-L260 HydrophobicContact CG-CD1 4.12Å; F253-L260 HydrophobicContact CZ-CB 4.49Å; F253-L260 HydrophobicContact CZ-CD1 4.08Å; F253-V274 HydrophobicContact CE1-CB 4.23Å; F253-V274 HydrophobicContact CE1-CG2 3.69Å; F253-V274 HydrophobicContact CZ-CG2 4.14Å; F253-S295 PolarHBondContact O-OG 3.1Å
254R94.3Very high94.8Very high41 Ų4126.9 Ų26.916%0.15515%0.149CC..PPolyproline II helixtrans-65.1144164176.1172.4164.8-165.317.2110.4S213 G256 T257 D259 Y261 L296 S297 E299S213-R254 PolarHBondContact OG-O 3.44Å; R254-G256 PolarHBondContact O-N 3.16Å; R254-T257 WeakPolarHBondContact CB-OG1 3.38Å; R254-T257 WeakPolarHBondContact CD-OG1 3.47Å; R254-T257 HydrophobicContact CG-CG2 4.47Å; R254-T257 WeakPolarHBondContact CG-OG1 3.49Å; R254-D259 HydrophobicContact CB-CB 4.01Å; R254-D259 WeakPolarHBondContact CD-OD2 3.44Å; R254-D259 IonicContact CZ-OD2 2.87Å; R254-D259 PolarHBondContact N-O 2.96Å; R254-D259 IonicContact NE-OD2 2.96Å; R254-D259 IonicContact NH1-OD2 3.6Å; R254-D259 PolarHBondContact NH1-OD2 3.13Å; R254-Y261 HydrophobicContact CB-CE2 4.03Å; R254-Y261 WeakPolarHBondContact CD-OH 3.45Å; R254-L296 CarbonylContact C-O 3.53Å; R254-L296 WeakPolarHBondContact CA-O 3.45Å; R254-L296 WeakPolarHBondContact CG-O 3.03Å; R254-S297 PolarHBondContact NE-O 3.37Å; R254-E299 IonicContact CZ-OE1 3.5Å; R254-E299 VanDerWaalsContact NH1-CG 3.34Å; R254-E299 IonicContact NH1-OE1 3.87Å; R254-E299 PolarHBondContact NH1-OE1 2.79Å; R254-E299 IonicContact NH2-OE1 2.65Å; R254-E299 PolarHBondContact NH2-OE1 2.8Å
255K90Very high94.8Very high80 Ų8028.6 Ų28.635%0.34816%0.157SC..THydrogen-bonded Turntrans-78.1122.2178.4-64.6-61.9-171.7179.20110.6S213 L296 S297S213-K255 VanDerWaalsContact OG-CA 3.32Å; S213-K255 WeakPolarHBondContact OG-CA 3.45Å; K255-L296 PolarHBondContact N-O 2.93Å; K255-S297 WeakPolarHBondContact O-CA 3.5Å
256G88.2Confident94.8Very high68 Ų6821.4 Ų21.470%0.70113%0.127SC*.THydrogen-bonded Turntrans871.1-178.800000116.2S213 R254S213-G256 PolarHBondContact OG-N 2.7Å; R254-G256 PolarHBondContact O-N 3.16Å
257T92.4Very high94.9Very high39 Ų3926.8 Ų26.824%0.23915%0.145CC..SBendtrans-134.4-179.5173.874.20000111.4R254 D259R254-T257 WeakPolarHBondContact CB-OG1 3.38Å; R254-T257 WeakPolarHBondContact CD-OG1 3.47Å; R254-T257 HydrophobicContact CG-CG2 4.47Å; R254-T257 WeakPolarHBondContact CG-OG1 3.49Å; T257-D259 WeakPolarHBondContact CB-OD2 3.38Å; T257-D259 VanDerWaalsContact OG1-CG 3.29Å; T257-D259 PolarHBondContact OG1-N 2.85Å; T257-D259 PolarHBondContact OG1-OD2 3.42Å
258H94.6Very high94.9Very high36 Ų3626 Ų2617%0.16714%0.139CC..  trans-10519.9175.3-59.4-57.5000112.7D214 Y217 L260 V274 D275D214-H258 IonicContact OD1-CE1 3.97Å; D214-H258 PolarHBondContact OD1-CE1 2.8Å; D214-H258 IonicContact OD2-CE1 2.71Å; D214-H258 PolarHBondContact OD2-CE1 3.42Å; D214-H258 VanDerWaalsContact OD2-CE1 3.24Å; D214-H258 IonicContact OD2-NE2 2.67Å; Y217-H258 AromaticContact CD2-ND1 3.68Å; Y217-H258 AromaticContact CE2-ND1 3.89Å; H258-L260 PolarHBondContact O-N 2.9Å; H258-V274 HydrophobicContact CB-CB 4.42Å; H258-V274 WeakPolarHBondContact O-CB 3.15Å; H258-V274 WeakPolarHBondContact O-CG2 3.48Å; H258-V274 PolarHBondContact O-N 2.87Å; H258-V274 VanDerWaalsContact O-N 3.07Å; H258-D275 WeakPolarHBondContact CB-OD1 3.5Å; H258-D275 WeakPolarHBondContact CB-OD2 3.5Å; H258-D275 IonicContact CD2-OD1 3.09Å; H258-D275 PolarHBondContact CD2-OD1 3Å; H258-D275 IonicContact CD2-OD2 3.19Å; H258-D275 PolarHBondContact CD2-OD2 3.47Å; H258-D275 IonicContact CG-OD1 4Å; H258-D275 VanDerWaalsContact CG-OD1 3.26Å; H258-D275 IonicContact CG-OD2 2.72Å
259D95.2Very high94.9Very high35 Ų3526 Ų2619%0.18714%0.14CC..EExtended strand (participates in β ladder)trans-71.6123170.8-53.5-54.8000109.7F253 R254 T257 Y261F253-D259 WeakPolarHBondContact CA-O 3.23Å; R254-D259 HydrophobicContact CB-CB 4.01Å; R254-D259 WeakPolarHBondContact CD-OD2 3.44Å; R254-D259 IonicContact CZ-OD2 2.87Å; R254-D259 PolarHBondContact N-O 2.96Å; R254-D259 IonicContact NE-OD2 2.96Å; R254-D259 IonicContact NH1-OD2 3.6Å; R254-D259 PolarHBondContact NH1-OD2 3.13Å; T257-D259 WeakPolarHBondContact CB-OD2 3.38Å; T257-D259 VanDerWaalsContact OG1-CG 3.29Å; T257-D259 PolarHBondContact OG1-N 2.85Å; T257-D259 PolarHBondContact OG1-OD2 3.42Å; D259-Y261 HydrophobicContact CB-CE1 4.03Å
260L96.8Very high95Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-107.7123176.8177.865.7000110A219 I227 I229 F241 L251 F253 H258 W272 V274A219-L260 HydrophobicContact CB-CD1 3.73Å; A219-L260 HydrophobicContact CB-CD2 3.7Å; A219-L260 HydrophobicContact CB-CG 4.4Å; I227-L260 HydrophobicContact CG2-CD2 4.13Å; I229-L260 HydrophobicContact CD1-CD2 3.77Å; F241-L260 HydrophobicContact CE2-CD2 4.29Å; L251-L260 HydrophobicContact CD2-CD1 4.09Å; L251-L260 HydrophobicContact CD2-CD2 4.3Å; L251-L260 HydrophobicContact CD2-CG 4.29Å; F253-L260 HydrophobicContact CD1-CB 4.15Å; F253-L260 HydrophobicContact CD1-CD1 4.23Å; F253-L260 HydrophobicContact CD2-CD1 3.96Å; F253-L260 HydrophobicContact CE1-CB 3.98Å; F253-L260 HydrophobicContact CE1-CD1 4.22Å; F253-L260 HydrophobicContact CE2-CD1 3.95Å; F253-L260 HydrophobicContact CG-CD1 4.12Å; F253-L260 HydrophobicContact CZ-CB 4.49Å; F253-L260 HydrophobicContact CZ-CD1 4.08Å; H258-L260 PolarHBondContact O-N 2.9Å; L260-W272 HydrophobicContact CB-CB 4.42Å; L260-W272 PolarHBondContact N-O 2.8Å; L260-W272 PolarHBondContact O-N 3.07Å; L260-V274 HydrophobicContact CB-CG2 3.67Å; L260-V274 HydrophobicContact CD2-CG2 4.14Å
261Y97.3Very high95.2Very high4 Ų427.1 Ų27.12%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-101.8139.7172.5-50.3-39000109.9L251 S252 R254 D259 V271 C301 I316L251-Y261 WeakPolarHBondContact CA-O 3.42Å; S252-Y261 PolarHBondContact N-O 2.96Å; S252-Y261 PolarHBondContact O-N 2.91Å; R254-Y261 HydrophobicContact CB-CE2 4.03Å; R254-Y261 WeakPolarHBondContact CD-OH 3.45Å; D259-Y261 HydrophobicContact CB-CE1 4.03Å; Y261-V271 HydrophobicContact CD1-CB 4.35Å; Y261-V271 HydrophobicContact CD1-CG1 4.02Å; Y261-V271 HydrophobicContact CD1-CG2 3.95Å; Y261-V271 HydrophobicContact CE1-CG1 3.85Å; Y261-V271 HydrophobicContact CE1-CG2 4.21Å; Y261-C301 HydrophobicContact CD2-CB 3.72Å; Y261-C301 HydrophobicContact CE2-CB 4.35Å; Y261-C301 HydrophobicContact CG-CB 4.2Å; Y261-I316 HydrophobicContact CD1-CD1 3.82Å; Y261-I316 HydrophobicContact CD2-CD1 4.32Å; Y261-I316 HydrophobicContact CE1-CD1 3.28Å; Y261-I316 HydrophobicContact CE2-CD1 3.82Å; Y261-I316 HydrophobicContact CG-CD1 4.32Å
262S97.1Very high95.2Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-138.7139.1-172.856.60000110.9H244 G250 V269 K270 W272H244-S262 PolarHBondContact NE2-OG 2.97Å; G250-S262 WeakPolarHBondContact O-CA 3.26Å; S262-V269 CarbonylContact O-C 3.57Å; S262-V269 VanDerWaalsContact O-CA 3.23Å; S262-V269 WeakPolarHBondContact O-CA 3.32Å; S262-V269 WeakPolarHBondContact O-CG1 3.19Å; S262-K270 PolarHBondContact N-O 3.22Å; S262-K270 PolarHBondContact O-N 3.4Å; S262-K270 WeakPolarHBondContact OG-CB 3.41Å; S262-K270 PolarHBondContact OG-O 3.26Å; S262-W272 PolarHBondContact OG-NE1 3.03Å
263A96.4Very high95.1Very high0 Ų027.6 Ų27.60%015%0.145CC..EExtended strand (participates in β ladder)trans-123.5143.7179.600000110.3V248 S249 G250 I290 L293V248-A263 CarbonylContact C-O 3.54Å; V248-A263 WeakPolarHBondContact CA-O 3.24Å; V248-A263 WeakPolarHBondContact CG1-O 3.31Å; S249-A263 PolarHBondContact N-O 3.24Å; S249-A263 PolarHBondContact OG-O 3.13Å; G250-A263 PolarHBondContact N-O 3.42Å; G250-A263 PolarHBondContact O-N 2.95Å; A263-I290 HydrophobicContact CB-CB 4.03Å; A263-I290 HydrophobicContact CB-CD1 4.12Å; A263-I290 HydrophobicContact CB-CG2 3.64Å; A263-L293 HydrophobicContact CB-CB 3.77Å; A263-L293 HydrophobicContact CB-CD1 3.76Å; A263-L293 HydrophobicContact CB-CG 4.4Å
264S96.1Very high95Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-135.7158.2-175.7172.10000113H244 G246 P247 D266 R267 S268H244-S264 VanDerWaalsContact CE1-CB 3.45Å; H244-S264 WeakPolarHBondContact CE1-CB 3.32Å; H244-S264 WeakPolarHBondContact ND1-CB 3.34Å; G246-S264 VanDerWaalsContact C-OG 3.23Å; G246-S264 PolarHBondContact O-OG 3.36Å; P247-S264 CarbonylContact O-C 3.58Å; P247-S264 WeakPolarHBondContact O-CA 3.4Å; P247-S264 WeakPolarHBondContact O-CB 3.18Å; P247-S264 PolarHBondContact O-OG 2.93Å; S264-D266 WeakPolarHBondContact CB-OD1 3.33Å; S264-D266 PolarHBondContact O-N 3.1Å; S264-D266 VanDerWaalsContact OG-CG 3.26Å; S264-D266 PolarHBondContact OG-N 3.42Å; S264-D266 PolarHBondContact OG-OD1 3.42Å; S264-D266 PolarHBondContact OG-OD2 2.86Å; S264-R267 PolarHBondContact O-N 3.1Å; S264-S268 PolarHBondContact N-O 2.88Å
265H95.4Very high94.9Very high50 Ų5029.5 Ų29.523%0.23116%0.158CC..THydrogen-bonded Turntrans-63.3-10.1165.5-62.6-179.9000113.5P247 R267 L289P247-H265 PolarHBondContact O-N 3.04Å; H265-R267 PolarHBondContact O-N 3Å; H265-L289 HydrophobicContact CB-CB 4.02Å
266D94.9Very high95Very high35 Ų3532.6 Ų32.619%0.18717%0.174CC..THydrogen-bonded Turntrans-71.8-2.5167.170.422.6000114.2H244 K245 S264 S268H244-D266 VanDerWaalsContact CA-OD2 3.32Å; H244-D266 WeakPolarHBondContact CA-OD2 3.21Å; H244-D266 IonicContact CG-OD2 3.61Å; H244-D266 IonicContact ND1-OD1 3.49Å; H244-D266 PolarHBondContact ND1-OD1 2.94Å; H244-D266 IonicContact ND1-OD2 2.95Å; H244-D266 PolarHBondContact ND1-OD2 2.95Å; K245-D266 HydrophobicContact CB-CB 3.97Å; K245-D266 PolarHBondContact N-OD2 2.89Å; S264-D266 WeakPolarHBondContact CB-OD1 3.33Å; S264-D266 PolarHBondContact O-N 3.1Å; S264-D266 VanDerWaalsContact OG-CG 3.26Å; S264-D266 PolarHBondContact OG-N 3.42Å; S264-D266 PolarHBondContact OG-OD1 3.42Å; S264-D266 PolarHBondContact OG-OD2 2.86Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.02Å; D266-S268 VanDerWaalsContact OD1-CB 3.29Å; D266-S268 WeakPolarHBondContact OD1-CB 3.25Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3Å
267R95.6Very high95.1Very high121 Ų12131.9 Ų31.946%0.45715%0.154SC..SBendtrans7113.7178.6-44.6177.8-70.5-179.3-0.2114.5S264 H265 H286 Q287 D288S264-R267 PolarHBondContact O-N 3.1Å; H265-R267 PolarHBondContact O-N 3Å; R267-H286 HydrophobicContact CB-CB 4.18Å; R267-Q287 WeakPolarHBondContact CD-O 3.33Å; R267-Q287 PolarHBondContact NH1-O 3.32Å; R267-D288 WeakPolarHBondContact CG-O 3.3Å
268S95.4Very high95.1Very high2 Ų231.5 Ų31.51%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-101.1150.1170.6750000112.2S264 D266 L283S264-S268 PolarHBondContact N-O 2.88Å; D266-S268 VanDerWaalsContact C-N 3.25Å; D266-S268 PolarHBondContact O-N 3.02Å; D266-S268 VanDerWaalsContact OD1-CB 3.29Å; D266-S268 WeakPolarHBondContact OD1-CB 3.25Å; D266-S268 PolarHBondContact OD1-N 3.29Å; D266-S268 PolarHBondContact OD1-OG 3Å; S268-L283 WeakPolarHBondContact CA-O 3.22Å
269V96.7Very high95.2Very high1 Ų135.3 Ų35.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-105.4129.7163.7-179.30000107.3S262 T282 L283 I290 L293 T303 W314S262-V269 CarbonylContact O-C 3.57Å; S262-V269 VanDerWaalsContact O-CA 3.23Å; S262-V269 WeakPolarHBondContact O-CA 3.32Å; S262-V269 WeakPolarHBondContact O-CG1 3.19Å; V269-T282 CarbonylContact O-C 3.56Å; V269-T282 WeakPolarHBondContact O-CA 3.31Å; V269-L283 HydrophobicContact CB-CB 4.35Å; V269-L283 PolarHBondContact N-O 2.84Å; V269-L283 PolarHBondContact O-N 2.91Å; V269-I290 HydrophobicContact CG2-CD1 3.62Å; V269-L293 HydrophobicContact CG1-CD1 3.87Å; V269-T303 HydrophobicContact CG2-CG2 3.87Å; V269-W314 HydrophobicContact CG2-CZ2 4.45Å
270K96.6Very high95.1Very high23 Ų2336.8 Ų36.810%0.118%0.179CC..EExtended strand (participates in β ladder)trans-115.7140.4177.5-70.6-179.2-179.4-74.10111.8G243 S262 W272 Y279 E281 T282G243-K270 VanDerWaalsContact O-CE 3.28Å; G243-K270 WeakPolarHBondContact O-CE 3.34Å; S262-K270 PolarHBondContact N-O 3.22Å; S262-K270 PolarHBondContact O-N 3.4Å; S262-K270 WeakPolarHBondContact OG-CB 3.41Å; S262-K270 PolarHBondContact OG-O 3.26Å; K270-W272 HydrophobicContact CB-CZ2 4.09Å; K270-W272 HydrophobicContact CD-CH2 4.38Å; K270-W272 HydrophobicContact CD-CZ2 3.71Å; K270-Y279 HydrophobicContact CD-CE2 4.42Å; K270-Y279 HydrophobicContact CG-CE2 4.38Å; K270-E281 WeakPolarHBondContact CA-O 3.15Å; K270-T282 HydrophobicContact CG-CG2 3.92Å; K270-T282 PolarHBondContact NZ-OG1 3.01Å
271V96.9Very high95Very high6 Ų639.5 Ų39.54%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-105.1130.7175.8-177.20000108.8Y261 V280 E281 I316Y261-V271 HydrophobicContact CD1-CB 4.35Å; Y261-V271 HydrophobicContact CD1-CG1 4.02Å; Y261-V271 HydrophobicContact CD1-CG2 3.95Å; Y261-V271 HydrophobicContact CE1-CG1 3.85Å; Y261-V271 HydrophobicContact CE1-CG2 4.21Å; V271-V280 HydrophobicContact CB-CB 4.22Å; V271-V280 HydrophobicContact CG1-CB 4.02Å; V271-V280 HydrophobicContact CG1-CG1 4.44Å; V271-V280 HydrophobicContact CG1-CG2 4.35Å; V271-V280 PolarHBondContact O-N 2.88Å; V271-E281 HydrophobicContact CB-CB 4.24Å; V271-E281 HydrophobicContact CG2-CB 4.31Å; V271-E281 PolarHBondContact N-O 2.97Å; V271-E281 PolarHBondContact O-N 3.38Å; V271-I316 HydrophobicContact CG2-CD1 4.27Å; V271-I316 HydrophobicContact CG2-CG2 3.95Å
272W96.4Very high95Very high8 Ų840.8 Ų40.83%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-130139.4178.1-44.881.8000109.7I227 F241 L260 S262 K270 A278 Y279I227-W272 HydrophobicContact CD1-CZ2 4.27Å; F241-W272 HydrophobicContact CB-CD2 4.33Å; F241-W272 HydrophobicContact CB-CE3 3.93Å; F241-W272 HydrophobicContact CB-CH2 3.99Å; F241-W272 HydrophobicContact CB-CZ2 4.37Å; F241-W272 HydrophobicContact CB-CZ3 3.75Å; F241-W272 AromaticContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CE3 3.97Å; F241-W272 HydrophobicContact CD1-CZ3 4.27Å; F241-W272 HydrophobicContact CD2-CB 4.48Å; F241-W272 HydrophobicContact CD2-CD2 4.16Å; F241-W272 HydrophobicContact CD2-CE3 4.2Å; F241-W272 HydrophobicContact CD2-CG 4.29Å; F241-W272 HydrophobicContact CE2-CB 4.16Å; F241-W272 HydrophobicContact CE2-CG 4.46Å; F241-W272 HydrophobicContact CG-CD2 4.19Å; F241-W272 AromaticContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CE3 3.79Å; F241-W272 HydrophobicContact CG-CZ3 4.09Å; L260-W272 HydrophobicContact CB-CB 4.42Å; L260-W272 PolarHBondContact N-O 2.8Å; L260-W272 PolarHBondContact O-N 3.07Å; S262-W272 PolarHBondContact OG-NE1 3.03Å; K270-W272 HydrophobicContact CB-CZ2 4.09Å; K270-W272 HydrophobicContact CD-CH2 4.38Å; K270-W272 HydrophobicContact CD-CZ2 3.71Å; W272-A278 CarbonylContact C-O 3.44Å; W272-A278 VanDerWaalsContact CA-O 3.31Å; W272-A278 WeakPolarHBondContact CA-O 3.11Å; W272-Y279 HydrophobicContact CE3-CD2 4.27Å; W272-Y279 HydrophobicContact CH2-CD2 4.29Å; W272-Y279 HydrophobicContact CZ3-CD2 4.12Å; W272-Y279 HydrophobicContact CZ3-CG 4.36Å
273N95.2Very high94.9Very high27 Ų2741.1 Ų41.114%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-91.1118.1166.9179.9-14.6000107.9D275 E276 N277 A278 V280N273-D275 PolarHBondContact OD1-N 3.17Å; N273-E276 HydrophobicContact CB-CB 4.43Å; N273-E276 WeakPolarHBondContact ND2-CG 2.66Å; N273-E276 PolarHBondContact ND2-OE2 3.16Å; N273-E276 PolarHBondContact OD1-N 2.9Å; N273-N277 CarbonylContact O-C 3.49Å; N273-N277 VanDerWaalsContact O-CA 3.27Å; N273-N277 WeakPolarHBondContact O-CA 3.3Å; N273-N277 PolarHBondContact O-N 2.93Å; N273-N277 VanDerWaalsContact O-N 3.1Å; N273-A278 HydrophobicContact CB-CB 4.48Å; N273-A278 PolarHBondContact N-O 2.81Å; N273-A278 PolarHBondContact O-N 3.15Å; N273-V280 HydrophobicContact CB-CG2 4.11Å
274V94Very high94.8Very high0 Ų048 Ų480%023%0.231CC..THydrogen-bonded Turntrans-80.3-25.2-177.6179.70000112.8Y217 I229 F241 F253 H258 L260 N277Y217-V274 HydrophobicContact CD1-CG1 4.14Å; Y217-V274 HydrophobicContact CD2-CG1 3.91Å; Y217-V274 HydrophobicContact CE1-CG1 4.47Å; Y217-V274 HydrophobicContact CE2-CG1 4.25Å; Y217-V274 HydrophobicContact CG-CG1 3.85Å; I229-V274 HydrophobicContact CG2-CG1 3.94Å; F241-V274 HydrophobicContact CE2-CG2 4.18Å; F241-V274 HydrophobicContact CZ-CG2 4.42Å; F253-V274 HydrophobicContact CE1-CB 4.23Å; F253-V274 HydrophobicContact CE1-CG2 3.69Å; F253-V274 HydrophobicContact CZ-CG2 4.14Å; H258-V274 HydrophobicContact CB-CB 4.42Å; H258-V274 WeakPolarHBondContact O-CB 3.15Å; H258-V274 WeakPolarHBondContact O-CG2 3.48Å; H258-V274 PolarHBondContact O-N 2.87Å; H258-V274 VanDerWaalsContact O-N 3.07Å; L260-V274 HydrophobicContact CB-CG2 3.67Å; L260-V274 HydrophobicContact CD2-CG2 4.14Å; V274-N277 PolarHBondContact O-N 3.26Å; V274-N277 PolarHBondContact O-ND2 3.47Å
275D91.3Very high94.7Very high85 Ų8548.9 Ų48.946%0.45524%0.241SC..THydrogen-bonded Turntrans-70.5-47.9177.1-63.7-32.6000111.6H258 N273 N277H258-D275 WeakPolarHBondContact CB-OD1 3.5Å; H258-D275 WeakPolarHBondContact CB-OD2 3.5Å; H258-D275 IonicContact CD2-OD1 3.09Å; H258-D275 PolarHBondContact CD2-OD1 3Å; H258-D275 IonicContact CD2-OD2 3.19Å; H258-D275 PolarHBondContact CD2-OD2 3.47Å; H258-D275 IonicContact CG-OD1 4Å; H258-D275 VanDerWaalsContact CG-OD1 3.26Å; H258-D275 IonicContact CG-OD2 2.72Å; N273-D275 PolarHBondContact OD1-N 3.17Å; D275-N277 VanDerWaalsContact C-N 3.25Å; D275-N277 PolarHBondContact O-N 3.01Å
276E91.6Very high94.7Very high145 Ų14546.9 Ų46.968%0.67823%0.232SC*.THydrogen-bonded Turntrans-82.3-5.7177.2-64.6179.7160.500112.8N273 A278N273-E276 HydrophobicContact CB-CB 4.43Å; N273-E276 WeakPolarHBondContact ND2-CG 2.66Å; N273-E276 PolarHBondContact ND2-OE2 3.16Å; N273-E276 PolarHBondContact OD1-N 2.9Å; E276-A278 HydrophobicContact CB-CB 4.01Å; E276-A278 PolarHBondContact O-N 2.75Å
277N92Very high94.6Very high52 Ų5251.4 Ų51.428%0.27825%0.252SS..THydrogen-bonded Turntrans52.929.9-171.4-35.3133.1000113Y239 F241 N273 V274 D275Y239-N277 HydrophobicContact CD1-CB 4.18Å; Y239-N277 WeakPolarHBondContact CD2-ND2 3.43Å; Y239-N277 HydrophobicContact CE1-CB 4.28Å; Y239-N277 VanDerWaalsContact CE1-CG 3.46Å; Y239-N277 WeakPolarHBondContact CE1-OD1 3.38Å; Y239-N277 WeakPolarHBondContact CE2-ND2 3.37Å; Y239-N277 HydrophobicContact CG-CB 4.43Å; Y239-N277 VanDerWaalsContact CZ-CG 3.45Å; Y239-N277 PolarHBondContact OH-OD1 3.26Å; F241-N277 HydrophobicContact CE1-CB 4.13Å; F241-N277 WeakPolarHBondContact CE1-O 3.45Å; N273-N277 CarbonylContact O-C 3.49Å; N273-N277 VanDerWaalsContact O-CA 3.27Å; N273-N277 WeakPolarHBondContact O-CA 3.3Å; N273-N277 PolarHBondContact O-N 2.93Å; N273-N277 VanDerWaalsContact O-N 3.1Å; V274-N277 PolarHBondContact O-N 3.26Å; V274-N277 PolarHBondContact O-ND2 3.47Å; D275-N277 VanDerWaalsContact C-N 3.25Å; D275-N277 PolarHBondContact O-N 3.01Å
278A92.7Very high94.6Very high32 Ų3247.9 Ų47.926%0.26424%0.242SC..EExtended strand (participates in β ladder)trans-98.8142.8-170.100000112.4W272 N273 E276W272-A278 CarbonylContact C-O 3.44Å; W272-A278 VanDerWaalsContact CA-O 3.31Å; W272-A278 WeakPolarHBondContact CA-O 3.11Å; N273-A278 HydrophobicContact CB-CB 4.48Å; N273-A278 PolarHBondContact N-O 2.81Å; N273-A278 PolarHBondContact O-N 3.15Å; E276-A278 HydrophobicContact CB-CB 4.01Å; E276-A278 PolarHBondContact O-N 2.75Å
279Y95.1Very high94.6Very high116 Ų11649.9 Ų49.946%0.45525%0.252SS..EExtended strand (participates in β ladder)trans-76.6133.5160.1161.9-93.2000109K270 W272 E281 T282K270-Y279 HydrophobicContact CD-CE2 4.42Å; K270-Y279 HydrophobicContact CG-CE2 4.38Å; W272-Y279 HydrophobicContact CE3-CD2 4.27Å; W272-Y279 HydrophobicContact CH2-CD2 4.29Å; W272-Y279 HydrophobicContact CZ3-CD2 4.12Å; W272-Y279 HydrophobicContact CZ3-CG 4.36Å; Y279-E281 VanDerWaalsContact CE2-O 3.28Å; Y279-E281 WeakPolarHBondContact CE2-O 3.34Å; Y279-E281 WeakPolarHBondContact OH-CA 3.45Å; Y279-T282 VanDerWaalsContact CE2-OG1 3.28Å; Y279-T282 WeakPolarHBondContact CE2-OG1 3.43Å; Y279-T282 WeakPolarHBondContact OH-CB 3.42Å; Y279-T282 PolarHBondContact OH-N 2.73Å; Y279-T282 PolarHBondContact OH-OG1 3.01Å
280V94.4Very high94.5Very high66 Ų6649.9 Ų49.940%0.425%0.252SS..EExtended strand (participates in β ladder)trans-106.1-71.2-179.3-173.50000110V271 N273V271-V280 HydrophobicContact CB-CB 4.22Å; V271-V280 HydrophobicContact CG1-CB 4.02Å; V271-V280 HydrophobicContact CG1-CG1 4.44Å; V271-V280 HydrophobicContact CG1-CG2 4.35Å; V271-V280 PolarHBondContact O-N 2.88Å; N273-V280 HydrophobicContact CB-CG2 4.11Å
281E94.6Very high94.4Very high57 Ų5749 Ų4927%0.26625%0.248SC..EExtended strand (participates in β ladder)trans-139.8159.2-166.6-85162.6-153.700113K270 V271 Y279 I316K270-E281 WeakPolarHBondContact CA-O 3.15Å; V271-E281 HydrophobicContact CB-CB 4.24Å; V271-E281 HydrophobicContact CG2-CB 4.31Å; V271-E281 PolarHBondContact N-O 2.97Å; V271-E281 PolarHBondContact O-N 3.38Å; Y279-E281 VanDerWaalsContact CE2-O 3.28Å; Y279-E281 WeakPolarHBondContact CE2-O 3.34Å; Y279-E281 WeakPolarHBondContact OH-CA 3.45Å; E281-I316 WeakPolarHBondContact OE2-CG2 3.26Å
282T95.7Very high94.2Very high30 Ų3049.1 Ų49.118%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-132.4117.8171.9-54.40000110V269 K270 Y279 F284V269-T282 CarbonylContact O-C 3.56Å; V269-T282 WeakPolarHBondContact O-CA 3.31Å; K270-T282 HydrophobicContact CG-CG2 3.92Å; K270-T282 PolarHBondContact NZ-OG1 3.01Å; Y279-T282 VanDerWaalsContact CE2-OG1 3.28Å; Y279-T282 WeakPolarHBondContact CE2-OG1 3.43Å; Y279-T282 WeakPolarHBondContact OH-CB 3.42Å; Y279-T282 PolarHBondContact OH-N 2.73Å; Y279-T282 PolarHBondContact OH-OG1 3.01Å; T282-F284 HydrophobicContact CG2-CD2 4.1Å; T282-F284 HydrophobicContact CG2-CE1 4.12Å; T282-F284 HydrophobicContact CG2-CE2 3.46Å; T282-F284 VanDerWaalsContact CG2-CE2 3.46Å; T282-F284 HydrophobicContact CG2-CZ 3.48Å; T282-F284 VanDerWaalsContact CG2-CZ 3.48Å
283L95.9Very high94.1Very high8 Ų849.4 Ų49.44%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-96.7139.8176.5-53.7174000110S268 V269 W314 I316 E319S268-L283 WeakPolarHBondContact CA-O 3.22Å; V269-L283 HydrophobicContact CB-CB 4.35Å; V269-L283 PolarHBondContact N-O 2.84Å; V269-L283 PolarHBondContact O-N 2.91Å; L283-W314 HydrophobicContact CB-CD2 4.3Å; L283-W314 HydrophobicContact CB-CE3 3.77Å; L283-W314 HydrophobicContact CB-CH2 4.36Å; L283-W314 HydrophobicContact CB-CZ3 3.79Å; L283-W314 HydrophobicContact CD1-CB 3.99Å; L283-W314 HydrophobicContact CD1-CD2 4.03Å; L283-W314 HydrophobicContact CD1-CE3 3.8Å; L283-W314 HydrophobicContact CD1-CG 4.12Å; L283-W314 HydrophobicContact CG-CE3 4.3Å; L283-I316 HydrophobicContact CD1-CG1 4.16Å; L283-E319 HydrophobicContact CD2-CB 4.44Å
284F95.3Very high94.2Very high143 Ų14348.4 Ų48.463%0.62725%0.248SC*.EExtended strand (participates in β ladder)trans-128.1144.8-179.1-67.1-82.5000111.1T282 W314T282-F284 HydrophobicContact CG2-CD2 4.1Å; T282-F284 HydrophobicContact CG2-CE1 4.12Å; T282-F284 HydrophobicContact CG2-CE2 3.46Å; T282-F284 VanDerWaalsContact CG2-CE2 3.46Å; T282-F284 HydrophobicContact CG2-CZ 3.48Å; T282-F284 VanDerWaalsContact CG2-CZ 3.48Å; F284-W314 WeakPolarHBondContact O-CH2 3.41Å
285G93.1Very high94.2Very high20 Ų2048.4 Ų48.421%0.20625%0.248CC..  trans166.1-22.1175.600000115.4Q287 R312G285-Q287 PolarHBondContact O-NE2 3.32Å; G285-R312 VanDerWaalsContact O-CZ 3.27Å; G285-R312 PolarHBondContact O-NH2 3.24Å
286H95.2Very high94.2Very high8 Ų845 Ų454%0.03723%0.23CC..  trans-62.6142173.1-87.5-77.6000112.5R267 I290 T303 G305 D308 R312 W314R267-H286 HydrophobicContact CB-CB 4.18Å; H286-I290 HydrophobicContact CB-CD1 4.46Å; H286-I290 HydrophobicContact CB-CG1 4.05Å; H286-T303 PolarHBondContact NE2-OG1 3.39Å; H286-T303 VanDerWaalsContact NE2-OG1 3.17Å; H286-G305 WeakPolarHBondContact CE1-CA 3.14Å; H286-G305 PolarHBondContact CE1-N 3.14Å; H286-G305 VanDerWaalsContact ND1-CA 3.28Å; H286-G305 WeakPolarHBondContact ND1-CA 3.46Å; H286-D308 IonicContact CG-OD2 3.26Å; H286-D308 IonicContact ND1-OD1 3.15Å; H286-D308 IonicContact ND1-OD2 3.63Å; H286-D308 PolarHBondContact ND1-OD2 2.83Å; H286-D308 VanDerWaalsContact ND1-OD2 3.14Å; H286-R312 PolarHBondContact CE1-NH1 2.79Å; H286-R312 VanDerWaalsContact CE1-NH1 3.31Å; H286-R312 PolarHBondContact ND1-NH1 3.09Å; H286-W314 AromaticContact CD2-CZ2 3.98Å
287Q93.9Very high94.1Very high129 Ų12940 Ų4060%0.60321%0.211SC*.SBendtrans-94.4-39.4-176.5-59.1-58-64.300111.7R267 G285 D308R267-Q287 WeakPolarHBondContact CD-O 3.33Å; R267-Q287 PolarHBondContact NH1-O 3.32Å; G285-Q287 PolarHBondContact O-NE2 3.32Å; Q287-D308 HydrophobicContact CB-CB 4.03Å; Q287-D308 PolarHBondContact N-OD2 2.81Å; Q287-D308 VanDerWaalsContact N-OD2 3.17Å
288D94.6Very high94Very high47 Ų4740.9 Ų40.925%0.25121%0.21SC..SBendtrans-112.4-179.9166.6-157.8-2.1000110.2R267 R307 D308R267-D288 WeakPolarHBondContact CG-O 3.3Å; D288-R307 WeakPolarHBondContact OD2-CB 3.44Å; D288-R307 WeakPolarHBondContact OD2-CD 3.15Å; D288-R307 IonicContact OD2-NH1 3.1Å; D288-D308 HydrophobicContact CB-CB 4.39Å
289L94.6Very high94Very high45 Ų4543.5 Ų43.524%0.23622%0.217CC..  trans-54.1143.5178.763.495.4000113.4H265 T291 G305H265-L289 HydrophobicContact CB-CB 4.02Å; L289-T291 HydrophobicContact CD1-CG2 3.67Å; L289-G305 CarbonylContact O-C 3.49Å
290I95.9Very high93.9Very high0 Ų041.6 Ų41.60%021%0.209CC..  trans-82.8132.6174-49175.5000108.1S249 A263 V269 H286 T303 A304S249-I290 WeakPolarHBondContact CB-O 3.37Å; S249-I290 PolarHBondContact OG-O 3.14Å; A263-I290 HydrophobicContact CB-CB 4.03Å; A263-I290 HydrophobicContact CB-CD1 4.12Å; A263-I290 HydrophobicContact CB-CG2 3.64Å; V269-I290 HydrophobicContact CG2-CD1 3.62Å; H286-I290 HydrophobicContact CB-CD1 4.46Å; H286-I290 HydrophobicContact CB-CG1 4.05Å; I290-T303 HydrophobicContact CG2-CG2 3.98Å; I290-A304 WeakPolarHBondContact CA-O 3.48Å; I290-A304 VanDerWaalsContact CG2-O 3.3Å; I290-A304 WeakPolarHBondContact CG2-O 3.46Å
291T93.9Very high93.8Very high4 Ų438.5 Ų38.53%0.02519%0.19CC..  trans-103.2-22.9-173.553.90000113.8L289 A304 G306 I331 R449L289-T291 HydrophobicContact CD1-CG2 3.67Å; T291-A304 PolarHBondContact N-O 3.37Å; T291-A304 WeakPolarHBondContact OG1-CB 3.48Å; T291-A304 PolarHBondContact OG1-O 2.74Å; T291-A304 VanDerWaalsContact OG1-O 3.11Å; T291-G306 VanDerWaalsContact CG2-CA 3.45Å; T291-I331 PolarHBondContact OG1-O 3.04Å; T291-R449 PolarHBondContact O-NH2 3.48Å
292G92.2Very high93.9Very high9 Ų935.9 Ų35.99%0.09318%0.178CC..EExtended strand (participates in β ladder)trans-163153.618000000111.8T303 A304G292-T303 WeakPolarHBondContact O-CA 3.21Å; G292-A304 PolarHBondContact O-N 2.95Å
293L96Very high93.9Very high14 Ų1434.4 Ų34.47%0.07317%0.169CC..EExtended strand (participates in β ladder)trans-141.5145.5179.8174.4149000109.3A263 V269 C301 V302 T303A263-L293 HydrophobicContact CB-CB 3.77Å; A263-L293 HydrophobicContact CB-CD1 3.76Å; A263-L293 HydrophobicContact CB-CG 4.4Å; V269-L293 HydrophobicContact CG1-CD1 3.87Å; L293-C301 HydrophobicContact CD1-CB 4.49Å; L293-V302 CarbonylContact C-O 3.52Å; L293-V302 VanDerWaalsContact CA-O 3.25Å; L293-V302 WeakPolarHBondContact CA-O 3.4Å; L293-T303 HydrophobicContact CB-CG2 4.01Å; L293-T303 HydrophobicContact CD1-CG2 3.77Å; L293-T303 HydrophobicContact CG-CG2 4.01Å
294D96.1Very high93.8Very high7 Ų734 Ų344%0.03717%0.167CC..EExtended strand (participates in β ladder)trans-149.3162.2172.9-165.533.8000113.2S252 C301 V302 Q335 L336S252-D294 PolarHBondContact OG-OD1 3.44Å; D294-C301 CarbonylContact O-C 3.58Å; D294-C301 WeakPolarHBondContact O-CA 3.21Å; D294-V302 PolarHBondContact N-O 2.94Å; D294-V302 PolarHBondContact O-N 2.86Å; D294-Q335 WeakPolarHBondContact OD2-CA 3.48Å; D294-Q335 WeakPolarHBondContact OD2-CG 3.43Å; D294-L336 PolarHBondContact OD2-N 3.01Å
295S94.1Very high93.4Very high0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-155.5154.8-178.447.30000114.1S252 F253S252-S295 WeakPolarHBondContact CB-OG 3.46Å; S252-S295 PolarHBondContact OG-OG 1.85Å; F253-S295 PolarHBondContact O-OG 3.1Å
296L91.8Very high93.3Very high13 Ų1326.3 Ų26.37%0.06813%0.128CC..  trans-118.1-142.3175.6-69.1178.3000110.7R254 K255 L336 E339R254-L296 CarbonylContact C-O 3.53Å; R254-L296 WeakPolarHBondContact CA-O 3.45Å; R254-L296 WeakPolarHBondContact CG-O 3.03Å; K255-L296 PolarHBondContact N-O 2.93Å; L296-L336 HydrophobicContact CB-CD1 4.43Å; L296-L336 HydrophobicContact CD1-CB 3.71Å; L296-L336 HydrophobicContact CD1-CD1 4.25Å; L296-L336 HydrophobicContact CD1-CD2 4.39Å; L296-L336 HydrophobicContact CD1-CG 4.35Å; L296-L336 HydrophobicContact CD2-CB 4.4Å; L296-L336 HydrophobicContact CG-CB 3.8Å; L296-L336 HydrophobicContact CG-CD1 3.84Å; L296-L336 HydrophobicContact CG-CG 4.36Å; L296-E339 HydrophobicContact CB-CG 4.42Å; L296-E339 WeakPolarHBondContact CB-OE1 3.38Å; L296-E339 HydrophobicContact CD1-CG 4.23Å
297S89.3Confident93.2Very high41 Ų4135.3 Ų35.329%0.28716%0.161SC..SBendtrans-90-23.7-169.960.90000114R254 K255 E339R254-S297 PolarHBondContact NE-O 3.37Å; K255-S297 WeakPolarHBondContact O-CA 3.5Å; S297-E339 PolarHBondContact N-OE1 3.29Å; S297-E339 PolarHBondContact OG-OE1 3.06Å
298R90.3Very high93Very high70 Ų7030.6 Ų30.626%0.26414%0.14SC..SBendtrans-77.7161.9173.2-59.4-179.2-160.2158.24111.2K124 R300 E339K124-R298 PolarHBondContact O-NH2 2.85Å; R298-R300 HydrophobicContact CB-CG 4.41Å; R298-R300 PolarHBondContact O-N 3.49Å; R298-E339 WeakPolarHBondContact CB-OE2 3.25Å; R298-E339 WeakPolarHBondContact CD-OE2 3.49Å; R298-E339 VanDerWaalsContact CG-CD 3.46Å; R298-E339 HydrophobicContact CG-CG 4.32Å; R298-E339 WeakPolarHBondContact CG-OE1 3.39Å; R298-E339 WeakPolarHBondContact CG-OE2 3.35Å; R298-E339 IonicContact CZ-OE2 3.91Å; R298-E339 PolarHBondContact N-OE1 3.08Å; R298-E339 IonicContact NE-OE2 2.81Å; R298-E339 IonicContact NH1-OE2 3.14Å
299E91.1Very high92.9Very high86 Ų8629 Ų2940%0.40214%0.135SC..SBendtrans-73.959.8173.8-77.2146.5-148.100111.8R254 I316R254-E299 IonicContact CZ-OE1 3.5Å; R254-E299 VanDerWaalsContact NH1-CG 3.34Å; R254-E299 IonicContact NH1-OE1 3.87Å; R254-E299 PolarHBondContact NH1-OE1 2.79Å; R254-E299 IonicContact NH2-OE1 2.65Å; R254-E299 PolarHBondContact NH2-OE1 2.8Å; E299-I316 HydrophobicContact CB-CB 4.49Å; E299-I316 PolarHBondContact O-N 3.39Å
300R93Very high92.8Very high77 Ų7727 Ų2729%0.29113%0.125SC..EExtended strand (participates in β ladder)trans-140.5133.9-179.2-62.7-178.4-179.1179.4-0.5109.1R298 W314R298-R300 HydrophobicContact CB-CG 4.41Å; R298-R300 PolarHBondContact O-N 3.49Å; R300-W314 VanDerWaalsContact CA-O 3.23Å; R300-W314 WeakPolarHBondContact CA-O 3.31Å; R300-W314 WeakPolarHBondContact CB-O 3.29Å
301C94Very high92.8Very high0 Ų027 Ų270%013%0.125CC..EExtended strand (participates in β ladder)trans-122.2152.3167.361.70000109.9Y261 L293 D294 W314Y261-C301 HydrophobicContact CD2-CB 3.72Å; Y261-C301 HydrophobicContact CE2-CB 4.35Å; Y261-C301 HydrophobicContact CG-CB 4.2Å; L293-C301 HydrophobicContact CD1-CB 4.49Å; D294-C301 CarbonylContact O-C 3.58Å; D294-C301 WeakPolarHBondContact O-CA 3.21Å; C301-W314 PolarHBondContact O-N 2.85Å
302V95.8Very high92.9Very high2 Ų227.6 Ų27.61%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-114.3141.2177-179.90000108.8L293 D294 V311 R312 V313 V334 L336 M342L293-V302 CarbonylContact C-O 3.52Å; L293-V302 VanDerWaalsContact CA-O 3.25Å; L293-V302 WeakPolarHBondContact CA-O 3.4Å; D294-V302 PolarHBondContact N-O 2.94Å; D294-V302 PolarHBondContact O-N 2.86Å; V302-V311 HydrophobicContact CG1-CG1 3.61Å; V302-R312 CarbonylContact C-O 3.57Å; V302-R312 WeakPolarHBondContact CA-O 3.41Å; V302-V313 HydrophobicContact CG2-CB 4.41Å; V302-V313 HydrophobicContact CG2-CG1 4.21Å; V302-V313 HydrophobicContact CG2-CG2 3.94Å; V302-V334 HydrophobicContact CG1-CG2 3.59Å; V302-L336 HydrophobicContact CB-CD1 4.43Å; V302-L336 HydrophobicContact CB-CG 4.41Å; V302-L336 HydrophobicContact CG2-CD1 3.95Å; V302-L336 HydrophobicContact CG2-CD2 3.77Å; V302-L336 HydrophobicContact CG2-CG 3.94Å; V302-M342 HydrophobicContact CB-SD 4.49Å; V302-M342 HydrophobicContact CG1-SD 3.48Å; V302-M342 WeakPolarHBondContact CG1-SD 3.42Å; V302-M342 HydrophobicContact CG2-SD 4.16Å
303T96.3Very high93.1Very high0 Ų027.4 Ų27.40%012%0.124CC..EExtended strand (participates in β ladder)trans-138.4140.1-173.640.70000111.4V269 H286 I290 G292 L293 V311 R312 W314V269-T303 HydrophobicContact CG2-CG2 3.87Å; H286-T303 PolarHBondContact NE2-OG1 3.39Å; H286-T303 VanDerWaalsContact NE2-OG1 3.17Å; I290-T303 HydrophobicContact CG2-CG2 3.98Å; G292-T303 WeakPolarHBondContact O-CA 3.21Å; L293-T303 HydrophobicContact CB-CG2 4.01Å; L293-T303 HydrophobicContact CD1-CG2 3.77Å; L293-T303 HydrophobicContact CG-CG2 4.01Å; T303-V311 WeakPolarHBondContact O-CA 3.17Å; T303-V311 WeakPolarHBondContact O-CG1 3.25Å; T303-R312 PolarHBondContact N-O 2.88Å; T303-R312 PolarHBondContact O-N 2.77Å; T303-R312 PolarHBondContact OG1-O 3.03Å; T303-R312 VanDerWaalsContact OG1-O 3.08Å; T303-W314 PolarHBondContact OG1-NE1 2.94Å
304A94Very high93.1Very high0 Ų026.9 Ų26.90%012%0.121CC..EExtended strand (participates in β ladder)trans-101.5126.3173.900000109.8I290 T291 G292 G306 I331 V334I290-A304 WeakPolarHBondContact CA-O 3.48Å; I290-A304 VanDerWaalsContact CG2-O 3.3Å; I290-A304 WeakPolarHBondContact CG2-O 3.46Å; T291-A304 PolarHBondContact N-O 3.37Å; T291-A304 WeakPolarHBondContact OG1-CB 3.48Å; T291-A304 PolarHBondContact OG1-O 2.74Å; T291-A304 VanDerWaalsContact OG1-O 3.11Å; G292-A304 PolarHBondContact O-N 2.95Å; A304-G306 PolarHBondContact O-N 2.82Å; A304-I331 HydrophobicContact CB-CB 4.19Å; A304-I331 HydrophobicContact CB-CG2 3.73Å; A304-V334 HydrophobicContact CB-CB 4.13Å; A304-V334 HydrophobicContact CB-CG1 3.9Å
305G86.6Confident93Very high0 Ų028.8 Ų28.80%013%0.129CC..  trans-92.819.4-173.200000115.9H286 L289 R307 D308 T310H286-G305 WeakPolarHBondContact CE1-CA 3.14Å; H286-G305 PolarHBondContact CE1-N 3.14Å; H286-G305 VanDerWaalsContact ND1-CA 3.28Å; H286-G305 WeakPolarHBondContact ND1-CA 3.46Å; L289-G305 CarbonylContact O-C 3.49Å; G305-R307 PolarHBondContact O-N 2.97Å; G305-D308 WeakPolarHBondContact CA-OD1 3.37Å; G305-D308 PolarHBondContact O-N 2.81Å; G305-T310 PolarHBondContact N-O 3.17Å
306G90.9Very high93Very high1 Ų129.3 Ų29.31%0.0113%0.132CC..BIsolated β-bridgetrans54.1-122.2-178.200000111.5T291 A304 D308 G309 S330 I331T291-G306 VanDerWaalsContact CG2-CA 3.45Å; A304-G306 PolarHBondContact O-N 2.82Å; G306-D308 PolarHBondContact O-N 2.89Å; G306-G309 PolarHBondContact O-N 3Å; G306-S330 VanDerWaalsContact CA-OG 3.29Å; G306-S330 WeakPolarHBondContact CA-OG 3.39Å; G306-S330 WeakPolarHBondContact O-CA 3.22Å; G306-I331 VanDerWaalsContact CA-O 3.26Å; G306-I331 WeakPolarHBondContact CA-O 3.38Å; G306-I331 PolarHBondContact N-O 3.01Å; G306-I331 PolarHBondContact O-N 3.24Å
307R92.2Very high93Very high196 Ų19632.6 Ų32.674%0.7416%0.161SC*.THydrogen-bonded Turntrans-68.6-10.9-178.3-54.4-179.6-179147.7-9.1115D288 G305 G309 S330D288-R307 WeakPolarHBondContact OD2-CB 3.44Å; D288-R307 WeakPolarHBondContact OD2-CD 3.15Å; D288-R307 IonicContact OD2-NH1 3.1Å; G305-R307 PolarHBondContact O-N 2.97Å; R307-G309 PolarHBondContact O-N 3.31Å; R307-S330 PolarHBondContact N-OG 2.96Å
308D91.3Very high93.2Very high30 Ų3036.1 Ų36.116%0.1617%0.173CC..THydrogen-bonded Turntrans-73-7.317289.22.3000112.6H286 Q287 D288 G305 G306 T310 R312H286-D308 IonicContact CG-OD2 3.26Å; H286-D308 IonicContact ND1-OD1 3.15Å; H286-D308 IonicContact ND1-OD2 3.63Å; H286-D308 PolarHBondContact ND1-OD2 2.83Å; H286-D308 VanDerWaalsContact ND1-OD2 3.14Å; Q287-D308 HydrophobicContact CB-CB 4.03Å; Q287-D308 PolarHBondContact N-OD2 2.81Å; Q287-D308 VanDerWaalsContact N-OD2 3.17Å; D288-D308 HydrophobicContact CB-CB 4.39Å; G305-D308 WeakPolarHBondContact CA-OD1 3.37Å; G305-D308 PolarHBondContact O-N 2.81Å; G306-D308 PolarHBondContact O-N 2.89Å; D308-T310 VanDerWaalsContact CG-OG1 3.29Å; D308-T310 WeakPolarHBondContact O-CG2 3.42Å; D308-T310 PolarHBondContact O-N 3.25Å; D308-T310 VanDerWaalsContact O-N 3.17Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.48Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T310 PolarHBondContact OD1-N 2.98Å; D308-T310 PolarHBondContact OD1-OG1 3.44Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; D308-R312 IonicContact OD1-NH1 3.9Å; D308-R312 IonicContact OD2-CZ 3.71Å; D308-R312 IonicContact OD2-NH1 3.57Å; D308-R312 PolarHBondContact OD2-NH1 3.36Å; D308-R312 IonicContact OD2-NH2 2.82Å
309G90.9Very high93.3Very high14 Ų1439.6 Ų39.614%0.14419%0.192CC..  trans67.212.7174.300000113.6G306 R307G306-G309 PolarHBondContact O-N 3Å; R307-G309 PolarHBondContact O-N 3.31Å
310T93.8Very high93.4Very high4 Ų437.1 Ų37.13%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-106.2146-177.974.20000113.5G305 D308 R312 V323 F324 H325G305-T310 PolarHBondContact N-O 3.17Å; D308-T310 VanDerWaalsContact CG-OG1 3.29Å; D308-T310 WeakPolarHBondContact O-CG2 3.42Å; D308-T310 PolarHBondContact O-N 3.25Å; D308-T310 VanDerWaalsContact O-N 3.17Å; D308-T310 VanDerWaalsContact OD1-CB 3.29Å; D308-T310 WeakPolarHBondContact OD1-CB 3.48Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.44Å; D308-T310 PolarHBondContact OD1-N 2.98Å; D308-T310 PolarHBondContact OD1-OG1 3.44Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; T310-R312 PolarHBondContact OG1-NH1 3.03Å; T310-V323 HydrophobicContact CG2-CG1 3.84Å; T310-F324 WeakPolarHBondContact CA-O 3.29Å; T310-H325 VanDerWaalsContact CG2-CE1 3.48Å; T310-H325 WeakPolarHBondContact CG2-CE1 3.32Å
311V95.5Very high93.5Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-101.6132154-161.50000107.1V302 T303 F324 I331 V334 M342 T344 W354V302-V311 HydrophobicContact CG1-CG1 3.61Å; T303-V311 WeakPolarHBondContact O-CA 3.17Å; T303-V311 WeakPolarHBondContact O-CG1 3.25Å; V311-F324 HydrophobicContact CB-CB 4.26Å; V311-F324 PolarHBondContact N-O 2.96Å; V311-F324 VanDerWaalsContact N-O 3.11Å; V311-F324 WeakPolarHBondContact O-CD2 3.42Å; V311-F324 PolarHBondContact O-N 3.11Å; V311-I331 HydrophobicContact CG2-CD1 3.85Å; V311-V334 HydrophobicContact CG1-CG2 4.35Å; V311-M342 HydrophobicContact CB-CE 3.91Å; V311-M342 HydrophobicContact CG1-CE 3.6Å; V311-M342 HydrophobicContact CG1-SD 3.79Å; V311-M342 HydrophobicContact CG2-CE 4.48Å; V311-T344 HydrophobicContact CG1-CG2 4.42Å; V311-T344 HydrophobicContact CG2-CG2 3.78Å; V311-W354 HydrophobicContact CG2-CZ2 4.19Å
312R95.5Very high93.5Very high15 Ų1540.1 Ų40.16%0.05720%0.203CC..EExtended strand (participates in β ladder)trans-113.7128.1172.7-73-173.6172.376.33.9110.4G285 H286 V302 T303 D308 T310 W314 L322 V323G285-R312 VanDerWaalsContact O-CZ 3.27Å; G285-R312 PolarHBondContact O-NH2 3.24Å; H286-R312 PolarHBondContact CE1-NH1 2.79Å; H286-R312 VanDerWaalsContact CE1-NH1 3.31Å; H286-R312 PolarHBondContact ND1-NH1 3.09Å; V302-R312 CarbonylContact C-O 3.57Å; V302-R312 WeakPolarHBondContact CA-O 3.41Å; T303-R312 PolarHBondContact N-O 2.88Å; T303-R312 PolarHBondContact O-N 2.77Å; T303-R312 PolarHBondContact OG1-O 3.03Å; T303-R312 VanDerWaalsContact OG1-O 3.08Å; D308-R312 IonicContact OD1-NH1 3.9Å; D308-R312 IonicContact OD2-CZ 3.71Å; D308-R312 IonicContact OD2-NH1 3.57Å; D308-R312 PolarHBondContact OD2-NH1 3.36Å; D308-R312 IonicContact OD2-NH2 2.82Å; T310-R312 PolarHBondContact OG1-NH1 3.03Å; R312-W314 HydrophobicContact CB-CZ2 4.3Å; R312-L322 WeakPolarHBondContact CA-O 3.41Å; R312-V323 HydrophobicContact CG-CG1 4.47Å; R312-V323 HydrophobicContact CG-CG2 4.3Å
313V96.1Very high93.5Very high5 Ų542.1 Ų42.13%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-102.8112.8168.9-177.30000107.1V302 L322 F324 M342V302-V313 HydrophobicContact CG2-CB 4.41Å; V302-V313 HydrophobicContact CG2-CG1 4.21Å; V302-V313 HydrophobicContact CG2-CG2 3.94Å; V313-L322 HydrophobicContact CB-CB 4.34Å; V313-L322 PolarHBondContact N-O 2.99Å; V313-L322 PolarHBondContact O-N 3.49Å; V313-F324 HydrophobicContact CB-CE2 4.03Å; V313-F324 HydrophobicContact CG2-CD2 4.07Å; V313-F324 HydrophobicContact CG2-CE2 3.44Å; V313-F324 VanDerWaalsContact CG2-CE2 3.44Å; V313-F324 HydrophobicContact CG2-CZ 4.18Å; V313-M342 HydrophobicContact CG2-CE 4.08Å; V313-M342 HydrophobicContact CG2-SD 3.78Å
314W96.1Very high93.4Very high3 Ų342.3 Ų42.31%0.01122%0.216CC..EExtended strand (participates in β ladder)trans-87.6145177.5-57.791.3000110.3V269 L283 F284 H286 R300 C301 T303 R312 Q321V269-W314 HydrophobicContact CG2-CZ2 4.45Å; L283-W314 HydrophobicContact CB-CD2 4.3Å; L283-W314 HydrophobicContact CB-CE3 3.77Å; L283-W314 HydrophobicContact CB-CH2 4.36Å; L283-W314 HydrophobicContact CB-CZ3 3.79Å; L283-W314 HydrophobicContact CD1-CB 3.99Å; L283-W314 HydrophobicContact CD1-CD2 4.03Å; L283-W314 HydrophobicContact CD1-CE3 3.8Å; L283-W314 HydrophobicContact CD1-CG 4.12Å; L283-W314 HydrophobicContact CG-CE3 4.3Å; F284-W314 WeakPolarHBondContact O-CH2 3.41Å; H286-W314 AromaticContact CD2-CZ2 3.98Å; R300-W314 VanDerWaalsContact CA-O 3.23Å; R300-W314 WeakPolarHBondContact CA-O 3.31Å; R300-W314 WeakPolarHBondContact CB-O 3.29Å; C301-W314 PolarHBondContact O-N 2.85Å; T303-W314 PolarHBondContact OG1-NE1 2.94Å; R312-W314 HydrophobicContact CB-CZ2 4.3Å; W314-Q321 HydrophobicContact CD2-CB 4.34Å; W314-Q321 HydrophobicContact CE3-CB 3.74Å; W314-Q321 HydrophobicContact CH2-CB 4.3Å; W314-Q321 HydrophobicContact CZ3-CB 3.73Å; W314-Q321 HydrophobicContact CZ3-CG 4.33Å
315K95.1Very high93.2Very high47 Ų4747.9 Ų47.920%0.20424%0.242CC..EExtended strand (participates in β ladder)trans-114.7107.5164.7-57-173.2-159.6167.80107.3E318 E319 S320K315-E318 HydrophobicContact CB-CB 4.08Å; K315-E318 HydrophobicContact CB-CG 4.41Å; K315-E318 HydrophobicContact CD-CB 4.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.14Å; K315-E318 VanDerWaalsContact CD-OE2 3.29Å; K315-E318 WeakPolarHBondContact CD-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE1 3.48Å; K315-E318 IonicContact NZ-OE1 3.79Å; K315-E318 PolarHBondContact NZ-OE1 2.72Å; K315-E318 IonicContact NZ-OE2 3.91Å; K315-E318 PolarHBondContact NZ-OE2 2.74Å; K315-E318 PolarHBondContact O-N 3.18Å; K315-E319 PolarHBondContact O-N 3.32Å; K315-S320 PolarHBondContact N-O 2.62Å; K315-S320 PolarHBondContact O-N 2.81Å; K315-S320 VanDerWaalsContact O-N 3.15Å
316I93.3Very high92.7Very high11 Ų1149.8 Ų49.86%0.05626%0.261CS..G310 helixtrans-70.4-53.2-163.6-63.6166.4000110Y261 V271 E281 L283 E299 E318 E319Y261-I316 HydrophobicContact CD1-CD1 3.82Å; Y261-I316 HydrophobicContact CD2-CD1 4.32Å; Y261-I316 HydrophobicContact CE1-CD1 3.28Å; Y261-I316 HydrophobicContact CE2-CD1 3.82Å; Y261-I316 HydrophobicContact CG-CD1 4.32Å; V271-I316 HydrophobicContact CG2-CD1 4.27Å; V271-I316 HydrophobicContact CG2-CG2 3.95Å; E281-I316 WeakPolarHBondContact OE2-CG2 3.26Å; L283-I316 HydrophobicContact CD1-CG1 4.16Å; E299-I316 HydrophobicContact CB-CB 4.49Å; E299-I316 PolarHBondContact O-N 3.39Å; I316-E318 PolarHBondContact O-N 3.27Å; I316-E319 PolarHBondContact O-N 3.5Å
317A91.6Very high92.3Very high82 Ų8250.7 Ų50.768%0.67827%0.265SS*.G310 helixtrans-65.40.817600000116.1
318E93Very high91.9Very high116 Ų11648.5 Ų48.554%0.54226%0.264SS..G310 helixtrans-113.1-1.7169.8-70-175.8-145.900112.7K315 I316 S320K315-E318 HydrophobicContact CB-CB 4.08Å; K315-E318 HydrophobicContact CB-CG 4.41Å; K315-E318 HydrophobicContact CD-CB 4.45Å; K315-E318 HydrophobicContact CD-CG 4.2Å; K315-E318 WeakPolarHBondContact CD-OE1 3.14Å; K315-E318 VanDerWaalsContact CD-OE2 3.29Å; K315-E318 WeakPolarHBondContact CD-OE2 3.26Å; K315-E318 WeakPolarHBondContact CE-OE1 3.48Å; K315-E318 IonicContact NZ-OE1 3.79Å; K315-E318 PolarHBondContact NZ-OE1 2.72Å; K315-E318 IonicContact NZ-OE2 3.91Å; K315-E318 PolarHBondContact NZ-OE2 2.74Å; K315-E318 PolarHBondContact O-N 3.18Å; I316-E318 PolarHBondContact O-N 3.27Å; E318-S320 WeakPolarHBondContact CB-OG 3.3Å; E318-S320 PolarHBondContact O-N 3.21Å; E318-S320 PolarHBondContact OE2-OG 3.48Å
319E92.4Very high91.7Very high142 Ų14248 Ų4866%0.66427%0.265SS*.THydrogen-bonded Turntrans47.821.3-164-61.1-170.8145.400114.1L283 K315 I316L283-E319 HydrophobicContact CD2-CB 4.44Å; K315-E319 PolarHBondContact O-N 3.32Å; I316-E319 PolarHBondContact O-N 3.5Å
320S94.1Very high91.8Very high34 Ų3448 Ų4824%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-108.9154.3-164.683.60000113.2K315 E318K315-S320 PolarHBondContact N-O 2.62Å; K315-S320 PolarHBondContact O-N 2.81Å; K315-S320 VanDerWaalsContact O-N 3.15Å; E318-S320 WeakPolarHBondContact CB-OG 3.3Å; E318-S320 PolarHBondContact O-N 3.21Å; E318-S320 PolarHBondContact OE2-OG 3.48Å
321Q94.8Very high91.8Very high74 Ų7447.8 Ų47.835%0.34626%0.262SS..EExtended strand (participates in β ladder)trans-128.8138.5-176.264.8-175.8-6200112.1W314 V323W314-Q321 HydrophobicContact CD2-CB 4.34Å; W314-Q321 HydrophobicContact CE3-CB 3.74Å; W314-Q321 HydrophobicContact CH2-CB 4.3Å; W314-Q321 HydrophobicContact CZ3-CB 3.73Å; W314-Q321 HydrophobicContact CZ3-CG 4.33Å; Q321-V323 HydrophobicContact CG-CG2 4.32Å
322L94.9Very high91.7Very high66 Ų6648.2 Ų48.235%0.34626%0.264SS..EExtended strand (participates in β ladder)trans-104.6124.4165.2-60.8175.6000108.4R312 V313 F324 V356R312-L322 WeakPolarHBondContact CA-O 3.41Å; V313-L322 HydrophobicContact CB-CB 4.34Å; V313-L322 PolarHBondContact N-O 2.99Å; V313-L322 PolarHBondContact O-N 3.49Å; L322-F324 HydrophobicContact CB-CE2 3.6Å; L322-F324 HydrophobicContact CB-CZ 4.04Å; L322-F324 WeakPolarHBondContact O-CE2 3.29Å; L322-V356 HydrophobicContact CD1-CG1 3.72Å
323V94.9Very high91.5Very high45 Ų4548 Ų4827%0.27327%0.265SS..EExtended strand (participates in β ladder)trans-105.8129-177.3-169.10000110.1T310 R312 Q321T310-V323 HydrophobicContact CG2-CG1 3.84Å; R312-V323 HydrophobicContact CG-CG1 4.47Å; R312-V323 HydrophobicContact CG-CG2 4.3Å; Q321-V323 HydrophobicContact CG-CG2 4.32Å
324F94.4Very high91.5Very high4 Ų448.4 Ų48.42%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-117.4136.7-179.6-59-99.7000109.1T310 V311 V313 L322 M342 W354 V356 K358T310-F324 WeakPolarHBondContact CA-O 3.29Å; V311-F324 HydrophobicContact CB-CB 4.26Å; V311-F324 PolarHBondContact N-O 2.96Å; V311-F324 VanDerWaalsContact N-O 3.11Å; V311-F324 WeakPolarHBondContact O-CD2 3.42Å; V311-F324 PolarHBondContact O-N 3.11Å; V313-F324 HydrophobicContact CB-CE2 4.03Å; V313-F324 HydrophobicContact CG2-CD2 4.07Å; V313-F324 HydrophobicContact CG2-CE2 3.44Å; V313-F324 VanDerWaalsContact CG2-CE2 3.44Å; V313-F324 HydrophobicContact CG2-CZ 4.18Å; L322-F324 HydrophobicContact CB-CE2 3.6Å; L322-F324 HydrophobicContact CB-CZ 4.04Å; L322-F324 WeakPolarHBondContact O-CE2 3.29Å; F324-M342 HydrophobicContact CB-CE 4.5Å; F324-M342 HydrophobicContact CD1-CE 4.32Å; F324-M342 HydrophobicContact CD2-CE 3.97Å; F324-M342 HydrophobicContact CE2-CE 4.33Å; F324-M342 HydrophobicContact CG-CE 4Å; F324-W354 HydrophobicContact CB-CE3 3.91Å; F324-W354 HydrophobicContact CB-CZ3 3.77Å; F324-W354 HydrophobicContact CD1-CE3 4.19Å; F324-W354 HydrophobicContact CG-CE3 4.42Å; F324-V356 HydrophobicContact CZ-CG1 4.37Å; F324-V356 WeakPolarHBondContact CZ-O 3.48Å; F324-K358 WeakPolarHBondContact CD1-O 3.37Å; F324-K358 WeakPolarHBondContact CE1-O 3.21Å
325H89.8Confident91.5Very high116 Ų11648.4 Ų48.454%0.53727%0.267SS..EExtended strand (participates in β ladder)trans-129.6142.4-179.3-66-90.7000109.4T310 K359T310-H325 VanDerWaalsContact CG2-CE1 3.48Å; T310-H325 WeakPolarHBondContact CG2-CE1 3.32Å; H325-K359 PolarHBondContact N-O 3.23Å
326G76.1Confident91.5Very high40 Ų4046.6 Ų46.641%0.41226%0.26SS..  trans156.70.1177.100000117.4
327H83.1Confident91.4Very high20 Ų2046.1 Ų46.19%0.09326%0.258CS..  trans-80.5155.2158.9-79-82.5000110.2I331 T344 A346 S350 S352 W354H327-I331 HydrophobicContact CB-CD1 4.04Å; H327-I331 HydrophobicContact CB-CG1 3.82Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.17Å; H327-I331 VanDerWaalsContact CD2-CG1 3.48Å; H327-I331 WeakPolarHBondContact CD2-CG1 3.47Å; H327-T344 WeakPolarHBondContact NE2-CB 3.33Å; H327-T344 PolarHBondContact NE2-OG1 2.84Å; H327-A346 WeakPolarHBondContact ND1-CB 3.42Å; H327-S350 PolarHBondContact CE1-O 2.79Å; H327-S350 PolarHBondContact CE1-OG 2.95Å; H327-S350 PolarHBondContact ND1-OG 3.44Å; H327-S352 PolarHBondContact CE1-OG 2.92Å; H327-S352 WeakPolarHBondContact NE2-CB 3.44Å; H327-W354 AromaticContact CD2-CZ2 3.67Å; H327-W354 AromaticContact NE2-CZ2 3.93Å; H327-W354 AromaticContact NE2-NE1 3.51Å
328E83.6Confident91.4Very high151 Ų15142.8 Ų42.871%0.70623%0.229SC*.SBendtrans-99.1-29.3175-73.2159.9-15700110.8D348 K366E328-D348 PolarHBondContact N-OD2 2.99Å; E328-K366 IonicContact OE1-NZ 2.72Å; E328-K366 PolarHBondContact OE1-NZ 3.24Å; E328-K366 IonicContact OE2-NZ 2.7Å; E328-K366 PolarHBondContact OE2-NZ 3.04Å
329G86.9Confident91.2Very high19 Ų1937.8 Ų37.820%0.19621%0.205CC..SBendtrans-103.8-165.3173.900000116.3D347 D348G329-D347 VanDerWaalsContact CA-OD1 3.22Å; G329-D347 WeakPolarHBondContact CA-OD1 3.22Å; G329-D348 PolarHBondContact N-OD2 3.11Å
330S92.5Very high91Very high14 Ų1433.5 Ų33.510%0.09819%0.185CC..  trans-72129.1175.7-1720000111.5G306 R307 D332 A346 D347G306-S330 VanDerWaalsContact CA-OG 3.29Å; G306-S330 WeakPolarHBondContact CA-OG 3.39Å; G306-S330 WeakPolarHBondContact O-CA 3.22Å; R307-S330 PolarHBondContact N-OG 2.96Å; S330-D332 PolarHBondContact OG-OD1 2.92Å; S330-A346 CarbonylContact O-C 3.59Å; S330-A346 WeakPolarHBondContact O-CA 3.26Å; S330-A346 WeakPolarHBondContact O-CB 3.35Å; S330-D347 WeakPolarHBondContact CB-OD2 3.37Å; S330-D347 VanDerWaalsContact N-CG 3.35Å; S330-D347 PolarHBondContact N-OD1 2.9Å; S330-D347 PolarHBondContact N-OD2 3.01Å; S330-D347 PolarHBondContact O-N 2.95Å
331I94.8Very high91Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-90.2107.6175.1-46.6175.8000108.9T291 A304 G306 V311 H327 T344T291-I331 PolarHBondContact OG1-O 3.04Å; A304-I331 HydrophobicContact CB-CB 4.19Å; A304-I331 HydrophobicContact CB-CG2 3.73Å; G306-I331 VanDerWaalsContact CA-O 3.26Å; G306-I331 WeakPolarHBondContact CA-O 3.38Å; G306-I331 PolarHBondContact N-O 3.01Å; G306-I331 PolarHBondContact O-N 3.24Å; V311-I331 HydrophobicContact CG2-CD1 3.85Å; H327-I331 HydrophobicContact CB-CD1 4.04Å; H327-I331 HydrophobicContact CB-CG1 3.82Å; H327-I331 WeakPolarHBondContact CD2-CD1 3.17Å; H327-I331 VanDerWaalsContact CD2-CG1 3.48Å; H327-I331 WeakPolarHBondContact CD2-CG1 3.47Å; I331-T344 HydrophobicContact CG2-CG2 4.02Å
332D92.1Very high90.9Very high8 Ų829.9 Ų29.94%0.04316%0.164CC..EExtended strand (participates in β ladder)trans-106.4-11.9-170.6-61.5-39.4000114.5S330 G345 W382 R449S330-D332 PolarHBondContact OG-OD1 2.92Å; D332-G345 PolarHBondContact N-O 2.84Å; D332-G345 VanDerWaalsContact N-O 3.14Å; D332-W382 HydrophobicContact CB-CZ2 4.47Å; D332-W382 WeakPolarHBondContact OD2-CZ2 3.48Å; D332-W382 PolarHBondContact OD2-NE1 3.2Å; D332-R449 PolarHBondContact O-NH2 2.93Å
333C93Very high91Very high11 Ų1126.8 Ų26.87%0.07415%0.148CC..EExtended strand (participates in β ladder)trans-146.4147.5173.360.30000112.7T344 G345C333-T344 VanDerWaalsContact O-CA 3.3Å; C333-T344 WeakPolarHBondContact O-CA 3.27Å; C333-G345 PolarHBondContact N-O 2.85Å; C333-G345 PolarHBondContact O-N 2.9Å
334V95.6Very high91Very high14 Ų1424.6 Ų24.69%0.08514%0.135CC..EExtended strand (participates in β ladder)trans-144.3144.2176.961.10000109.6V302 A304 V311 I343 T344V302-V334 HydrophobicContact CG1-CG2 3.59Å; A304-V334 HydrophobicContact CB-CB 4.13Å; A304-V334 HydrophobicContact CB-CG1 3.9Å; V311-V334 HydrophobicContact CG1-CG2 4.35Å; V334-I343 WeakPolarHBondContact CA-O 3.34Å; V334-T344 HydrophobicContact CB-CG2 3.91Å; V334-T344 HydrophobicContact CG2-CG2 3.68Å
335Q95.8Very high91.1Very high2 Ų224.4 Ų24.41%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-144.7146.2165.1-153.6-176-69.100110.6D294 M342 I343 A388D294-Q335 WeakPolarHBondContact OD2-CA 3.48Å; D294-Q335 WeakPolarHBondContact OD2-CG 3.43Å; Q335-M342 WeakPolarHBondContact O-CA 3.49Å; Q335-I343 PolarHBondContact N-O 3.19Å; Q335-I343 WeakPolarHBondContact O-CG2 3.38Å; Q335-I343 PolarHBondContact O-N 3.41Å; Q335-A388 VanDerWaalsContact NE2-N 3.17Å; Q335-A388 PolarHBondContact NE2-O 3.18Å
336L94.4Very high91.3Very high10 Ų1018.9 Ų18.95%0.05211%0.109CC..EExtended strand (participates in β ladder)trans-76.2139.8168.7-75.5152.8000110.2D294 L296 V302 N338 M342 A388D294-L336 PolarHBondContact OD2-N 3.01Å; L296-L336 HydrophobicContact CB-CD1 4.43Å; L296-L336 HydrophobicContact CD1-CB 3.71Å; L296-L336 HydrophobicContact CD1-CD1 4.25Å; L296-L336 HydrophobicContact CD1-CD2 4.39Å; L296-L336 HydrophobicContact CD1-CG 4.35Å; L296-L336 HydrophobicContact CD2-CB 4.4Å; L296-L336 HydrophobicContact CG-CB 3.8Å; L296-L336 HydrophobicContact CG-CD1 3.84Å; L296-L336 HydrophobicContact CG-CG 4.36Å; V302-L336 HydrophobicContact CB-CD1 4.43Å; V302-L336 HydrophobicContact CB-CG 4.41Å; V302-L336 HydrophobicContact CG2-CD1 3.95Å; V302-L336 HydrophobicContact CG2-CD2 3.77Å; V302-L336 HydrophobicContact CG2-CG 3.94Å; L336-N338 WeakPolarHBondContact CD2-O 3.42Å; L336-M342 HydrophobicContact CD2-CB 4.11Å; L336-A388 WeakPolarHBondContact O-CB 3.44Å
337I92.8Very high92.1Very high0 Ų020.2 Ų20.20%011%0.106CC..EExtended strand (participates in β ladder)trans-93.1-47.4167.7-54.2162.4000108.6H341 I343 L353 A388 H390 N391 S392 V395 Y413I337-H341 PolarHBondContact N-O 3.23Å; I337-I343 HydrophobicContact CD1-CB 4.25Å; I337-I343 HydrophobicContact CD1-CG2 4.39Å; I337-I343 HydrophobicContact CG1-CB 4.49Å; I337-I343 HydrophobicContact CG1-CG2 4.12Å; I337-L353 HydrophobicContact CD1-CD1 3.42Å; I337-L353 VanDerWaalsContact CD1-CD1 3.42Å; I337-A388 HydrophobicContact CB-CB 4.21Å; I337-A388 HydrophobicContact CG1-CB 3.64Å; I337-H390 WeakPolarHBondContact O-CA 3.23Å; I337-N391 PolarHBondContact O-N 2.93Å; I337-S392 WeakPolarHBondContact CG2-O 3.38Å; I337-V395 HydrophobicContact CD1-CG1 3.92Å; I337-V395 HydrophobicContact CG1-CG1 3.98Å; I337-Y413 HydrophobicContact CD1-CD1 4.06Å; I337-Y413 HydrophobicContact CD1-CE1 4.12Å; I337-Y413 HydrophobicContact CG2-CE1 3.85Å
338N89.9Confident92.5Very high13 Ų1320.8 Ų20.87%0.0711%0.11CC..EExtended strand (participates in β ladder)trans-148.9-175.8171.3771.6000110.1L336 E340 H341 N391L336-N338 WeakPolarHBondContact CD2-O 3.42Å; N338-E340 PolarHBondContact O-N 2.87Å; N338-E340 PolarHBondContact OD1-N 2.92Å; N338-H341 PolarHBondContact N-O 3.5Å; N338-H341 PolarHBondContact O-N 3Å; N338-H341 WeakPolarHBondContact OD1-CB 3.24Å; N338-H341 PolarHBondContact OD1-CD2 2.99Å; N338-H341 PolarHBondContact OD1-N 2.73Å; N338-N391 WeakPolarHBondContact CB-OD1 3.4Å
339E88.6Confident92.9Very high10 Ų1013.6 Ų13.65%0.0478%0.076CC..THydrogen-bonded Turntrans-66.8-3.7-175.8-76.2-71.9171.400115.9L296 S297 R298L296-E339 HydrophobicContact CB-CG 4.42Å; L296-E339 WeakPolarHBondContact CB-OE1 3.38Å; L296-E339 HydrophobicContact CD1-CG 4.23Å; S297-E339 PolarHBondContact N-OE1 3.29Å; S297-E339 PolarHBondContact OG-OE1 3.06Å; R298-E339 WeakPolarHBondContact CB-OE2 3.25Å; R298-E339 WeakPolarHBondContact CD-OE2 3.49Å; R298-E339 VanDerWaalsContact CG-CD 3.46Å; R298-E339 HydrophobicContact CG-CG 4.32Å; R298-E339 WeakPolarHBondContact CG-OE1 3.39Å; R298-E339 WeakPolarHBondContact CG-OE2 3.35Å; R298-E339 IonicContact CZ-OE2 3.91Å; R298-E339 PolarHBondContact N-OE1 3.08Å; R298-E339 IonicContact NE-OE2 2.81Å; R298-E339 IonicContact NH1-OE2 3.14Å
340E89.8Confident93.2Very high53 Ų5312.9 Ų12.925%0.2487%0.068CC..THydrogen-bonded Turntrans-126.5-13.2-179.1-60.9-174.8-152.500112.7K126 N338 G355 V356K126-E340 WeakPolarHBondContact CE-OE1 3.41Å; K126-E340 IonicContact NZ-OE1 3.9Å; K126-E340 PolarHBondContact NZ-OE1 2.56Å; K126-E340 VanDerWaalsContact NZ-OE1 3.1Å; N338-E340 PolarHBondContact O-N 2.87Å; N338-E340 PolarHBondContact OD1-N 2.92Å; E340-G355 CarbonylContact O-C 3.58Å; E340-G355 VanDerWaalsContact O-CA 3.26Å; E340-G355 WeakPolarHBondContact O-CA 3.42Å; E340-V356 PolarHBondContact O-N 2.96Å
341H92.5Very high93.3Very high30 Ų3012.2 Ų12.214%0.1396%0.063CC..EExtended strand (participates in β ladder)trans-134135.7-175.2-64.1-72.9000113.8I337 N338 W354 L362 Y413I337-H341 PolarHBondContact N-O 3.23Å; N338-H341 PolarHBondContact N-O 3.5Å; N338-H341 PolarHBondContact O-N 3Å; N338-H341 WeakPolarHBondContact OD1-CB 3.24Å; N338-H341 PolarHBondContact OD1-CD2 2.99Å; N338-H341 PolarHBondContact OD1-N 2.73Å; H341-W354 WeakPolarHBondContact CA-O 3.44Å; H341-W354 PolarHBondContact ND1-O 3.35Å; H341-W354 VanDerWaalsContact ND1-O 3.13Å; H341-L362 WeakPolarHBondContact ND1-CD1 3.28Å; H341-Y413 HydrophobicContact CB-CD1 4.46Å; H341-Y413 HydrophobicContact CB-CD2 4.36Å; H341-Y413 HydrophobicContact CB-CG 4.23Å; H341-Y413 AromaticContact CD2-CD2 3.22Å; H341-Y413 WeakPolarHBondContact CD2-CD2 3.35Å; H341-Y413 AromaticContact CD2-CE2 3.61Å; H341-Y413 AromaticContact CD2-CG 3.86Å; H341-Y413 AromaticContact CE1-CD2 3.86Å; H341-Y413 AromaticContact CG-CD2 3.62Å; H341-Y413 AromaticContact CG-CG 3.75Å; H341-Y413 AromaticContact ND1-CG 3.95Å; H341-Y413 AromaticContact NE2-CD2 3.4Å; H341-Y413 WeakPolarHBondContact NE2-CD2 3.17Å
342M94.4Very high93.3Very high1 Ų112.2 Ų12.21%0.0056%0.063CC..EExtended strand (participates in β ladder)trans-136.3151.3-178.262.3-169.1-174.500110.4V302 V311 V313 F324 Q335 L336 W354V302-M342 HydrophobicContact CB-SD 4.49Å; V302-M342 HydrophobicContact CG1-SD 3.48Å; V302-M342 WeakPolarHBondContact CG1-SD 3.42Å; V302-M342 HydrophobicContact CG2-SD 4.16Å; V311-M342 HydrophobicContact CB-CE 3.91Å; V311-M342 HydrophobicContact CG1-CE 3.6Å; V311-M342 HydrophobicContact CG1-SD 3.79Å; V311-M342 HydrophobicContact CG2-CE 4.48Å; V313-M342 HydrophobicContact CG2-CE 4.08Å; V313-M342 HydrophobicContact CG2-SD 3.78Å; F324-M342 HydrophobicContact CB-CE 4.5Å; F324-M342 HydrophobicContact CD1-CE 4.32Å; F324-M342 HydrophobicContact CD2-CE 3.97Å; F324-M342 HydrophobicContact CE2-CE 4.33Å; F324-M342 HydrophobicContact CG-CE 4Å; Q335-M342 WeakPolarHBondContact O-CA 3.49Å; L336-M342 HydrophobicContact CD2-CB 4.11Å; M342-W354 HydrophobicContact CE-CB 3.62Å; M342-W354 HydrophobicContact CE-CD2 4.26Å; M342-W354 HydrophobicContact CE-CG 3.81Å; M342-W354 HydrophobicContact CG-CB 3.69Å; M342-W354 HydrophobicContact CG-CG 4.21Å; M342-W354 PolarHBondContact N-O 3.45Å; M342-W354 PolarHBondContact O-N 3.38Å
343I95.6Very high93.5Very high1 Ų111.8 Ų11.81%0.0056%0.061CC..EExtended strand (participates in β ladder)trans-122.7145.3179.1-170.9170000110.3V334 Q335 I337 V351 S352 V386 A388 V395 L416V334-I343 WeakPolarHBondContact CA-O 3.34Å; Q335-I343 PolarHBondContact N-O 3.19Å; Q335-I343 WeakPolarHBondContact O-CG2 3.38Å; Q335-I343 PolarHBondContact O-N 3.41Å; I337-I343 HydrophobicContact CD1-CB 4.25Å; I337-I343 HydrophobicContact CD1-CG2 4.39Å; I337-I343 HydrophobicContact CG1-CB 4.49Å; I337-I343 HydrophobicContact CG1-CG2 4.12Å; I343-V351 HydrophobicContact CD1-CG1 3.67Å; I343-V351 HydrophobicContact CG1-CG1 3.82Å; I343-S352 WeakPolarHBondContact CA-O 3.33Å; I343-V386 HydrophobicContact CB-CG1 4.33Å; I343-V386 HydrophobicContact CD1-CG1 4.12Å; I343-V386 HydrophobicContact CG1-CG1 3.99Å; I343-V386 HydrophobicContact CG2-CG1 3.57Å; I343-A388 HydrophobicContact CG2-CB 4.26Å; I343-V395 HydrophobicContact CD1-CB 3.8Å; I343-V395 HydrophobicContact CD1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CG2 3.57Å; I343-V395 HydrophobicContact CG2-CG1 4.41Å; I343-L416 HydrophobicContact CD1-CD1 4.13Å; I343-L416 HydrophobicContact CD1-CD2 4.3Å
344T95.9Very high93.5Very high0 Ų011.3 Ų11.30%06%0.058CC..EExtended strand (participates in β ladder)trans-137.3147.2-17649.80000111.5V311 H327 I331 C333 V334 V351 S352 W354V311-T344 HydrophobicContact CG1-CG2 4.42Å; V311-T344 HydrophobicContact CG2-CG2 3.78Å; H327-T344 WeakPolarHBondContact NE2-CB 3.33Å; H327-T344 PolarHBondContact NE2-OG1 2.84Å; I331-T344 HydrophobicContact CG2-CG2 4.02Å; C333-T344 VanDerWaalsContact O-CA 3.3Å; C333-T344 WeakPolarHBondContact O-CA 3.27Å; V334-T344 HydrophobicContact CB-CG2 3.91Å; V334-T344 HydrophobicContact CG2-CG2 3.68Å; T344-V351 WeakPolarHBondContact O-CA 3.47Å; T344-S352 PolarHBondContact N-O 2.66Å; T344-S352 PolarHBondContact O-N 2.91Å; T344-S352 PolarHBondContact OG1-O 2.87Å; T344-S352 VanDerWaalsContact OG1-O 3.1Å; T344-W354 PolarHBondContact OG1-NE1 2.82Å
345G95.2Very high93.4Very high0 Ų010.8 Ų10.80%06%0.055CC..EExtended strand (participates in β ladder)trans-121.5143170.600000111.5D332 C333D332-G345 PolarHBondContact N-O 2.84Å; D332-G345 VanDerWaalsContact N-O 3.14Å; C333-G345 PolarHBondContact N-O 2.85Å; C333-G345 PolarHBondContact O-N 2.9Å
346A94.6Very high93.2Very high0 Ų011.8 Ų11.80%06%0.062CC..EExtended strand (participates in β ladder)trans-126.9167.3-175.400000113.7H327 S330 D348 G349 S350 V383H327-A346 WeakPolarHBondContact ND1-CB 3.42Å; S330-A346 CarbonylContact O-C 3.59Å; S330-A346 WeakPolarHBondContact O-CA 3.26Å; S330-A346 WeakPolarHBondContact O-CB 3.35Å; A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 WeakPolarHBondContact CB-OD1 3.38Å; A346-G349 PolarHBondContact O-N 2.78Å; A346-S350 PolarHBondContact N-O 3.49Å; A346-S350 VanDerWaalsContact N-O 3.15Å; A346-V383 PolarHBondContact O-N 3.44Å
347D92.4Very high92.9Very high67 Ų6717.9 Ų17.936%0.3589%0.094SC..THydrogen-bonded Turntrans-67.7-30.4175.966.2-2.9000113.4G329 S330 G349 W382G329-D347 VanDerWaalsContact CA-OD1 3.22Å; G329-D347 WeakPolarHBondContact CA-OD1 3.22Å; S330-D347 WeakPolarHBondContact CB-OD2 3.37Å; S330-D347 VanDerWaalsContact N-CG 3.35Å; S330-D347 PolarHBondContact N-OD1 2.9Å; S330-D347 PolarHBondContact N-OD2 3.01Å; S330-D347 PolarHBondContact O-N 2.95Å; D347-G349 PolarHBondContact O-N 2.8Å; D347-W382 VanDerWaalsContact CA-CD1 3.44Å; D347-W382 HydrophobicContact CB-CG 4.22Å
348D91.6Very high92.8Very high33 Ų3323.2 Ų23.218%0.17612%0.118CC..THydrogen-bonded Turntrans-63.65.516969.119.6000114.4E328 G329 A346 S350 P380E328-D348 PolarHBondContact N-OD2 2.99Å; G329-D348 PolarHBondContact N-OD2 3.11Å; A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 WeakPolarHBondContact CB-OD1 3.38Å; D348-S350 PolarHBondContact O-N 3.3Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.87Å; D348-S350 PolarHBondContact OD1-OG 2.91Å; D348-P380 VanDerWaalsContact C-CG 3.41Å; D348-P380 VanDerWaalsContact O-CB 3.23Å; D348-P380 WeakPolarHBondContact O-CB 3.46Å; D348-P380 VanDerWaalsContact O-CG 3.24Å; D348-P380 WeakPolarHBondContact O-CG 3.22Å
349G91.8Very high92.8Very high0 Ų030.6 Ų30.60%015%0.149CC..SBendtrans67.612.318000000113.7A346 D347 Q367 A368A346-G349 PolarHBondContact O-N 2.78Å; D347-G349 PolarHBondContact O-N 2.8Å; G349-Q367 PolarHBondContact O-N 3.17Å; G349-A368 WeakPolarHBondContact O-CB 3.32Å; G349-A368 PolarHBondContact O-N 3.17Å
350S93.8Very high92.9Very high3 Ų337.8 Ų37.82%0.02118%0.18CC..  trans-86.7142.7177.177.60000112.7H327 A346 D348 V365H327-S350 PolarHBondContact CE1-O 2.79Å; H327-S350 PolarHBondContact CE1-OG 2.95Å; H327-S350 PolarHBondContact ND1-OG 3.44Å; A346-S350 PolarHBondContact N-O 3.49Å; A346-S350 VanDerWaalsContact N-O 3.15Å; D348-S350 PolarHBondContact O-N 3.3Å; D348-S350 WeakPolarHBondContact OD1-CA 3.45Å; D348-S350 WeakPolarHBondContact OD1-CB 3.43Å; D348-S350 PolarHBondContact OD1-N 2.87Å; D348-S350 PolarHBondContact OD1-OG 2.91Å; S350-V365 CarbonylContact C-O 3.56Å; S350-V365 WeakPolarHBondContact CA-O 3.43Å
351V95.4Very high93.1Very high0 Ų036.9 Ų36.90%018%0.179CC..EExtended strand (participates in β ladder)trans-112.5115.5167.6-178.70000107.4I343 T344 T364 V365 A368 V383 L416I343-V351 HydrophobicContact CD1-CG1 3.67Å; I343-V351 HydrophobicContact CG1-CG1 3.82Å; T344-V351 WeakPolarHBondContact O-CA 3.47Å; V351-T364 WeakPolarHBondContact O-CA 3.19Å; V351-V365 PolarHBondContact N-O 2.65Å; V351-V365 PolarHBondContact O-N 2.71Å; V351-A368 HydrophobicContact CB-CB 4.25Å; V351-A368 HydrophobicContact CG2-CB 3.57Å; V351-V383 HydrophobicContact CG2-CG1 4.27Å; V351-V383 HydrophobicContact CG2-CG2 3.84Å; V351-L416 HydrophobicContact CB-CD1 4.33Å; V351-L416 HydrophobicContact CG1-CD1 3.65Å
352S94.9Very high93.1Very high0 Ų037.1 Ų37.10%018%0.181CC..EExtended strand (participates in β ladder)trans-111.8130.7-178.2-69.90000111.3H327 I343 T344 W354 T364H327-S352 PolarHBondContact CE1-OG 2.92Å; H327-S352 WeakPolarHBondContact NE2-CB 3.44Å; I343-S352 WeakPolarHBondContact CA-O 3.33Å; T344-S352 PolarHBondContact N-O 2.66Å; T344-S352 PolarHBondContact O-N 2.91Å; T344-S352 PolarHBondContact OG1-O 2.87Å; T344-S352 VanDerWaalsContact OG1-O 3.1Å; S352-W354 PolarHBondContact O-NE1 3.37Å; S352-T364 WeakPolarHBondContact OG-CB 3.23Å; S352-T364 WeakPolarHBondContact OG-CG2 3.42Å; S352-T364 PolarHBondContact OG-OG1 3.18Å
353L94.7Very high92.9Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-103.2127.5175.917956.5000109I337 P361 L362 G363 Y413 G415 L416I337-L353 HydrophobicContact CD1-CD1 3.42Å; I337-L353 VanDerWaalsContact CD1-CD1 3.42Å; L353-P361 CarbonylContact O-C 3.55Å; L353-L362 PolarHBondContact O-N 3.1Å; L353-G363 PolarHBondContact N-O 3.49Å; L353-G363 PolarHBondContact O-N 2.54Å; L353-Y413 HydrophobicContact CD1-CD1 4.32Å; L353-Y413 HydrophobicContact CD2-CD1 4.42Å; L353-Y413 VanDerWaalsContact CD2-O 3.25Å; L353-Y413 WeakPolarHBondContact CD2-O 3.33Å; L353-G415 WeakPolarHBondContact CD2-O 3.35Å; L353-L416 HydrophobicContact CB-CD1 4.23Å; L353-L416 HydrophobicContact CB-CG 4.29Å; L353-L416 HydrophobicContact CD2-CD2 3.95Å; L353-L416 HydrophobicContact CD2-CG 4.11Å
354W94.5Very high92.8Very high0 Ų040.5 Ų40.50%021%0.205CC..EExtended strand (participates in β ladder)trans-120.2163.9-172.6-54.280.8000111.7V311 F324 H327 H341 M342 T344 S352 P361V311-W354 HydrophobicContact CG2-CZ2 4.19Å; F324-W354 HydrophobicContact CB-CE3 3.91Å; F324-W354 HydrophobicContact CB-CZ3 3.77Å; F324-W354 HydrophobicContact CD1-CE3 4.19Å; F324-W354 HydrophobicContact CG-CE3 4.42Å; H327-W354 AromaticContact CD2-CZ2 3.67Å; H327-W354 AromaticContact NE2-CZ2 3.93Å; H327-W354 AromaticContact NE2-NE1 3.51Å; H341-W354 WeakPolarHBondContact CA-O 3.44Å; H341-W354 PolarHBondContact ND1-O 3.35Å; H341-W354 VanDerWaalsContact ND1-O 3.13Å; M342-W354 HydrophobicContact CE-CB 3.62Å; M342-W354 HydrophobicContact CE-CD2 4.26Å; M342-W354 HydrophobicContact CE-CG 3.81Å; M342-W354 HydrophobicContact CG-CB 3.69Å; M342-W354 HydrophobicContact CG-CG 4.21Å; M342-W354 PolarHBondContact N-O 3.45Å; M342-W354 PolarHBondContact O-N 3.38Å; T344-W354 PolarHBondContact OG1-NE1 2.82Å; S352-W354 PolarHBondContact O-NE1 3.37Å; W354-P361 HydrophobicContact CD2-CB 4.03Å; W354-P361 HydrophobicContact CE3-CB 4.05Å; W354-P361 HydrophobicContact CH2-CB 4.22Å; W354-P361 HydrophobicContact CH2-CG 4.19Å; W354-P361 HydrophobicContact CZ2-CB 4.19Å; W354-P361 HydrophobicContact CZ2-CG 4.46Å; W354-P361 HydrophobicContact CZ3-CB 4.16Å; W354-P361 VanDerWaalsContact CZ3-CD 3.46Å; W354-P361 HydrophobicContact CZ3-CG 4.32Å
355G92.9Very high92.7Very high3 Ų342.1 Ų42.13%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-137136.6165.400000109.6E340 N357 K358E340-G355 CarbonylContact O-C 3.58Å; E340-G355 VanDerWaalsContact O-CA 3.26Å; E340-G355 WeakPolarHBondContact O-CA 3.42Å; G355-N357 PolarHBondContact O-N 3.47Å; G355-K358 PolarHBondContact O-N 2.94Å
356V90.7Very high92.6Very high24 Ų2447.8 Ų47.815%0.14524%0.24CC..THydrogen-bonded Turntrans-54.5-26.8-174.7178.90000112.3L322 F324 E340 K358L322-V356 HydrophobicContact CD1-CG1 3.72Å; F324-V356 HydrophobicContact CZ-CG1 4.37Å; F324-V356 WeakPolarHBondContact CZ-O 3.48Å; E340-V356 PolarHBondContact O-N 2.96Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.07Å
357N89.4Confident92.4Very high137 Ų13753.4 Ų53.473%0.73327%0.266SS*.THydrogen-bonded Turntrans-76.7-4.5179.7-58.1-34.2000115G355G355-N357 PolarHBondContact O-N 3.47Å
358K90.6Very high92.4Very high113 Ų11350.6 Ų50.649%0.49125%0.252SS..  trans-137130.6178-63-164.9-167.4175.50112.6F324 G355 V356 K360 L362F324-K358 WeakPolarHBondContact CD1-O 3.37Å; F324-K358 WeakPolarHBondContact CE1-O 3.21Å; G355-K358 PolarHBondContact O-N 2.94Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.07Å; K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.27Å; K358-L362 HydrophobicContact CD-CD2 3.83Å; K358-L362 HydrophobicContact CG-CD2 4.4Å
359K90.2Very high92.4Very high167 Ų16749.5 Ų49.573%0.72625%0.246SC*.SBendtrans-66.6-20.9178.6-67.9-171.2175.4-172.40115.4H325H325-K359 PolarHBondContact N-O 3.23Å
360K91Very high92.4Very high162 Ų16251 Ų5170%0.70426%0.262SS*.SBendtrans-102.4154.8174.8-75-167.8175.3-168.40109.8K358K358-K360 VanDerWaalsContact C-N 3.27Å; K358-K360 PolarHBondContact O-N 3.27Å
361P92.6Very high92.3Very high33 Ų3352.7 Ų52.721%0.21427%0.273CS..  trans-59.9152.7176.125.8-33000111.6L353 W354 T364L353-P361 CarbonylContact O-C 3.55Å; W354-P361 HydrophobicContact CD2-CB 4.03Å; W354-P361 HydrophobicContact CE3-CB 4.05Å; W354-P361 HydrophobicContact CH2-CB 4.22Å; W354-P361 HydrophobicContact CH2-CG 4.19Å; W354-P361 HydrophobicContact CZ2-CB 4.19Å; W354-P361 HydrophobicContact CZ2-CG 4.46Å; W354-P361 HydrophobicContact CZ3-CB 4.16Å; W354-P361 VanDerWaalsContact CZ3-CD 3.46Å; W354-P361 HydrophobicContact CZ3-CG 4.32Å; P361-T364 WeakPolarHBondContact CG-OG1 3.48Å
362L92.1Very high91.9Very high36 Ų3655.2 Ų55.219%0.18829%0.285CS..SBendtrans-77.4-31.4174.2-64.8174.9000111.8H341 L353 K358 Y413H341-L362 WeakPolarHBondContact ND1-CD1 3.28Å; L353-L362 PolarHBondContact O-N 3.1Å; K358-L362 HydrophobicContact CD-CD2 3.83Å; K358-L362 HydrophobicContact CG-CD2 4.4Å; L362-Y413 VanDerWaalsContact CB-O 3.3Å; L362-Y413 WeakPolarHBondContact CB-O 3.23Å; L362-Y413 WeakPolarHBondContact CD1-O 3.1Å
363G90.7Very high91.4Very high18 Ų1857.9 Ų57.919%0.18631%0.312CS..EExtended strand (participates in β ladder)trans-165.2146.7172.300000110L353L353-G363 PolarHBondContact N-O 3.49Å; L353-G363 PolarHBondContact O-N 2.54Å
364T93.4Very high91Very high54 Ų5464 Ų6433%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-135.1124179.8-63.80000108.7V351 S352 P361 K366V351-T364 WeakPolarHBondContact O-CA 3.19Å; S352-T364 WeakPolarHBondContact OG-CB 3.23Å; S352-T364 WeakPolarHBondContact OG-CG2 3.42Å; S352-T364 PolarHBondContact OG-OG1 3.18Å; P361-T364 WeakPolarHBondContact CG-OG1 3.48Å; T364-K366 HydrophobicContact CG2-CG 4.34Å
365V94.3Very high90.3Very high35 Ų3568.7 Ų68.721%0.21238%0.383CS..EExtended strand (participates in β ladder)trans-94.7110.3168.7178.20000106.8S350 V351 A368 W407 L416S350-V365 CarbonylContact C-O 3.56Å; S350-V365 WeakPolarHBondContact CA-O 3.43Å; V351-V365 PolarHBondContact N-O 2.65Å; V351-V365 PolarHBondContact O-N 2.71Å; V365-A368 HydrophobicContact CG1-CB 4.03Å; V365-W407 HydrophobicContact CG1-CH2 4Å; V365-W407 HydrophobicContact CG1-CZ3 4Å; V365-W407 HydrophobicContact CG2-CZ3 4.35Å; V365-L416 HydrophobicContact CG2-CB 3.87Å; V365-L416 HydrophobicContact CG2-CD1 4.47Å
366K92.3Very high89.8Confident119 Ų11972 Ų7252%0.51742%0.418SS..THydrogen-bonded Turntrans-77.1152.2169.3-66.7-161.2175.4-166.90109.8E328 T364 A368E328-K366 IonicContact OE1-NZ 2.72Å; E328-K366 PolarHBondContact OE1-NZ 3.24Å; E328-K366 IonicContact OE2-NZ 2.7Å; E328-K366 PolarHBondContact OE2-NZ 3.04Å; T364-K366 HydrophobicContact CG2-CG 4.34Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.77Å
367Q91.8Very high89.7Confident118 Ų11877.3 Ų77.355%0.55145%0.445SS*.THydrogen-bonded Turntrans53.741.7178.2-59.9172.9-22.300113.2G349 H369 G370 C371 P380G349-Q367 PolarHBondContact O-N 3.17Å; Q367-H369 PolarHBondContact O-N 2.81Å; Q367-G370 PolarHBondContact O-N 3.35Å; Q367-C371 PolarHBondContact NE2-SG 3.14Å; Q367-P380 HydrophobicContact CG-CB 4.31Å
368A91.2Very high89.6Confident7 Ų776.5 Ų76.56%0.05844%0.436CS..THydrogen-bonded Turntrans-61.5-13.7-17200000115.1G349 V351 V365 K366 N405 W407G349-A368 WeakPolarHBondContact O-CB 3.32Å; G349-A368 PolarHBondContact O-N 3.17Å; V351-A368 HydrophobicContact CB-CB 4.25Å; V351-A368 HydrophobicContact CG2-CB 3.57Å; V365-A368 HydrophobicContact CG1-CB 4.03Å; K366-A368 VanDerWaalsContact C-N 3.28Å; K366-A368 PolarHBondContact O-N 2.77Å; A368-N405 PolarHBondContact O-ND2 2.63Å; A368-W407 HydrophobicContact CB-CH2 3.91Å; A368-W407 HydrophobicContact CB-CZ2 3.79Å; A368-W407 WeakPolarHBondContact O-CH2 3.45Å; A368-W407 WeakPolarHBondContact O-CZ2 3.39Å
369H92.6Very high89.5Confident10 Ų1076.3 Ų76.35%0.04644%0.437CS..THydrogen-bonded Turntrans-123.412.8174.3-77.7-101.5000113Q367 H381 S397 S399 N401 Q403Q367-H369 PolarHBondContact O-N 2.81Å; H369-H381 HydrophobicContact CB-CB 3.67Å; H369-H381 PolarHBondContact O-CD2 2.88Å; H369-S397 PolarHBondContact CE1-O 3.31Å; H369-S397 WeakPolarHBondContact NE2-CB 3.45Å; H369-S397 PolarHBondContact NE2-O 2.95Å; H369-S397 PolarHBondContact NE2-OG 2.82Å; H369-S399 VanDerWaalsContact ND1-CB 3.3Å; H369-S399 WeakPolarHBondContact ND1-CB 3.33Å; H369-N401 PolarHBondContact ND1-OD1 2.85Å; H369-N401 PolarHBondContact O-ND2 2.85Å; H369-Q403 PolarHBondContact CE1-O 2.82Å; H369-Q403 VanDerWaalsContact CE1-O 3.22Å; H369-Q403 PolarHBondContact ND1-O 3.19Å
370G91.2Very high89.6Confident33 Ų3370.2 Ų70.234%0.3442%0.415SS..  trans82.6-158.9-173.900000113.8Q367 H381Q367-G370 PolarHBondContact O-N 3.35Å; G370-H381 PolarHBondContact O-N 2.57Å
371C90.9Very high89.7Confident38 Ų3863.9 Ų63.926%0.25739%0.388SS..EExtended strand (participates in β ladder)trans-133.6160.9179.3-63.20000111.6Q367 E378 Q379Q367-C371 PolarHBondContact NE2-SG 3.14Å; C371-E378 HydrophobicContact CB-CB 4.21Å; C371-Q379 CarbonylContact C-O 3.58Å; C371-Q379 WeakPolarHBondContact CA-O 3.29Å; C371-Q379 WeakPolarHBondContact CB-O 3.28Å
372H87.4Confident89.7Confident53 Ų5363.7 Ų63.725%0.24538%0.383CS..EExtended strand (participates in β ladder)trans-135.9160175.568.977.7000111.6E378 Q379 H381 H400H372-E378 WeakPolarHBondContact O-CA 3.45Å; H372-Q379 PolarHBondContact N-O 3.17Å; H372-Q379 PolarHBondContact O-N 2.97Å; H372-H381 AromaticContact CD2-CE1 3.68Å; H372-H381 AromaticContact CD2-ND1 3.46Å; H372-H381 PolarHBondContact CD2-ND1 3.27Å; H372-H400 AromaticContact CD2-NE2 3.53Å; H372-H400 AromaticContact NE2-CE1 3.97Å; H372-H400 AromaticContact NE2-NE2 3.65Å
373G85.1Confident89.8Confident56 Ų5662 Ų6258%0.57737%0.374SS*.SBendtrans119.9-175178.300000112
374D85.1Confident89.9Confident129 Ų12961.1 Ų61.169%0.6937%0.365SS*.SBendtrans-79.8150.7175.4-59.2-56.4000110.7G376 L377 E378D374-G376 PolarHBondContact O-N 2.79Å; D374-L377 CarbonylContact O-C 3.51Å; D374-L377 WeakPolarHBondContact O-CA 3.47Å; D374-L377 PolarHBondContact O-N 3.41Å; D374-E378 PolarHBondContact O-N 2.99Å
375A80.9Confident90Very high97 Ų9758.9 Ų58.980%0.80235%0.352SS*.THydrogen-bonded Turntrans-55.8123.4-176.400000111.9L377A375-L377 VanDerWaalsContact C-N 3.35Å
376G81.9Confident90.1Very high74 Ų7457.7 Ų57.776%0.76334%0.344SS*.THydrogen-bonded Turntrans86.2-6.1-174.700000115.7D374D374-G376 PolarHBondContact O-N 2.79Å
377L88.4Confident90.3Very high134 Ų13452 Ų5270%0.70232%0.319SS*.SBendtrans-119.321.3167.9-73.5171000111.7D374 A375 Q379D374-L377 CarbonylContact O-C 3.51Å; D374-L377 WeakPolarHBondContact O-CA 3.47Å; D374-L377 PolarHBondContact O-N 3.41Å; A375-L377 VanDerWaalsContact C-N 3.35Å; L377-Q379 PolarHBondContact O-N 2.59Å
378E88.2Confident90.5Very high120 Ų12046.4 Ų46.456%0.56129%0.294SS*.  trans-61.6124.6-178.3-69.5169.6-133.300112C371 H372 D374C371-E378 HydrophobicContact CB-CB 4.21Å; H372-E378 WeakPolarHBondContact O-CA 3.45Å; D374-E378 PolarHBondContact O-N 2.99Å
379Q88.6Confident90.5Very high109 Ų10946.6 Ų46.651%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-108.3140.8176-66.6-177.4-600109.9C371 H372 L377C371-Q379 CarbonylContact C-O 3.58Å; C371-Q379 WeakPolarHBondContact CA-O 3.29Å; C371-Q379 WeakPolarHBondContact CB-O 3.28Å; H372-Q379 PolarHBondContact N-O 3.17Å; H372-Q379 PolarHBondContact O-N 2.97Å; L377-Q379 PolarHBondContact O-N 2.59Å
380P92.3Very high90.4Very high39 Ų3948.8 Ų48.825%0.25330%0.304SS..EExtended strand (participates in β ladder)trans-67.7145.3178.830.1-35.9000111.5D348 Q367 W382D348-P380 VanDerWaalsContact C-CG 3.41Å; D348-P380 VanDerWaalsContact O-CB 3.23Å; D348-P380 WeakPolarHBondContact O-CB 3.46Å; D348-P380 VanDerWaalsContact O-CG 3.24Å; D348-P380 WeakPolarHBondContact O-CG 3.22Å; Q367-P380 HydrophobicContact CG-CB 4.31Å; P380-W382 PolarHBondContact O-N 3.28Å
381H92.8Very high90.2Very high29 Ų2948 Ų4813%0.13429%0.291CS..  trans-70.8100.5175.6-86.7-63.8000111.2H369 G370 H372 V383 S399 H400 N401H369-H381 HydrophobicContact CB-CB 3.67Å; H369-H381 PolarHBondContact O-CD2 2.88Å; G370-H381 PolarHBondContact O-N 2.57Å; H372-H381 AromaticContact CD2-CE1 3.68Å; H372-H381 AromaticContact CD2-ND1 3.46Å; H372-H381 PolarHBondContact CD2-ND1 3.27Å; H381-V383 PolarHBondContact O-N 2.92Å; H381-S399 PolarHBondContact O-OG 2.89Å; H381-H400 AromaticContact CE1-CD2 3.95Å; H381-H400 AromaticContact CE1-NE2 3.61Å; H381-H400 AromaticContact ND1-CD2 3.49Å; H381-H400 PolarHBondContact ND1-CD2 3.17Å; H381-H400 AromaticContact ND1-CE1 3.41Å; H381-H400 PolarHBondContact ND1-CE1 2.82Å; H381-H400 AromaticContact ND1-NE2 2.93Å; H381-H400 PolarHBondContact ND1-NE2 2.87Å; H381-N401 HydrophobicContact CB-CB 4.37Å
382W92Very high90.2Very high29 Ų2946.1 Ų46.111%0.1128%0.279CS..  trans-38.2124173.1177.813.5000113.1D332 D347 P380 S384 S399 H448 W453 W454D332-W382 HydrophobicContact CB-CZ2 4.47Å; D332-W382 WeakPolarHBondContact OD2-CZ2 3.48Å; D332-W382 PolarHBondContact OD2-NE1 3.2Å; D347-W382 VanDerWaalsContact CA-CD1 3.44Å; D347-W382 HydrophobicContact CB-CG 4.22Å; P380-W382 PolarHBondContact O-N 3.28Å; W382-S384 PolarHBondContact O-N 3.06Å; W382-S399 WeakPolarHBondContact O-CA 3.18Å; W382-S399 WeakPolarHBondContact O-CB 3.43Å; W382-S399 PolarHBondContact O-OG 3.04Å; W382-H448 AromaticContact CH2-CE1 3.41Å; W382-H448 VanDerWaalsContact CH2-CE1 3.41Å; W382-H448 WeakPolarHBondContact CH2-CE1 3.46Å; W382-H448 AromaticContact CH2-CG 3.97Å; W382-H448 AromaticContact CH2-ND1 3.31Å; W382-H448 VanDerWaalsContact CH2-ND1 3.31Å; W382-H448 WeakPolarHBondContact CH2-ND1 3.44Å; W382-H448 AromaticContact CZ2-CE1 3.31Å; W382-H448 WeakPolarHBondContact CZ2-CE1 3.49Å; W382-H448 AromaticContact CZ2-ND1 3.75Å; W382-H448 AromaticContact CZ2-NE2 3.88Å; W382-H448 AromaticContact CZ3-ND1 3.86Å; W382-W453 HydrophobicContact CH2-CE3 4.08Å; W382-W453 HydrophobicContact CH2-CH2 4.47Å; W382-W453 AromaticContact CH2-CZ3 3.68Å; W382-W453 HydrophobicContact CH2-CZ3 3.68Å; W382-W453 AromaticContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CZ3 4.07Å; W382-W454 HydrophobicContact CE3-CZ3 4.08Å; W382-W454 HydrophobicContact CZ3-CZ3 4.5Å
383V95Very high90.3Very high0 Ų043.8 Ų43.80%027%0.268CS..  trans-79.993171.5-175.90000109.4A346 V351 H381 S385 V386 G398A346-V383 PolarHBondContact O-N 3.44Å; V351-V383 HydrophobicContact CG2-CG1 4.27Å; V351-V383 HydrophobicContact CG2-CG2 3.84Å; H381-V383 PolarHBondContact O-N 2.92Å; V383-S385 WeakPolarHBondContact CG1-O 3.45Å; V383-V386 HydrophobicContact CG1-CG2 3.59Å; V383-G398 CarbonylContact C-O 3.56Å
384S93.5Very high90.7Very high1 Ų141.1 Ų41.11%0.00724%0.241CC..  trans-75.6-19.9-176.550.40000114.3W382 G398 I428W382-S384 PolarHBondContact O-N 3.06Å; S384-G398 PolarHBondContact N-O 2.85Å; S384-G398 PolarHBondContact OG-O 2.91Å; S384-I428 PolarHBondContact OG-O 3.3Å
385S95.3Very high91.2Very high7 Ų735 Ų355%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-153.6155.9168.658.60000113.2V383 G398 I428V383-S385 WeakPolarHBondContact CG1-O 3.45Å; S385-G398 PolarHBondContact N-O 2.93Å; S385-G398 PolarHBondContact O-N 2.87Å; S385-I428 PolarHBondContact OG-O 3.13Å
386V96.5Very high91.9Very high9 Ų930.4 Ų30.46%0.05517%0.17CC..EExtended strand (participates in β ladder)trans-135146173.1169.20000108.2I343 V383 A396I343-V386 HydrophobicContact CB-CG1 4.33Å; I343-V386 HydrophobicContact CD1-CG1 4.12Å; I343-V386 HydrophobicContact CG1-CG1 3.99Å; I343-V386 HydrophobicContact CG2-CG1 3.57Å; V383-V386 HydrophobicContact CG1-CG2 3.59Å; V386-A396 CarbonylContact C-O 3.49Å; V386-A396 WeakPolarHBondContact CA-O 3.5Å
387A96.3Very high92.7Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-129.8150.7168.700000110.9V395 A396 L431 F433A387-V395 CarbonylContact O-C 3.58Å; A387-V395 WeakPolarHBondContact O-CA 3.09Å; A387-A396 PolarHBondContact N-O 3.44Å; A387-A396 PolarHBondContact O-N 2.78Å; A387-L431 HydrophobicContact CB-CB 3.64Å; A387-F433 HydrophobicContact CB-CD2 3.74Å; A387-F433 HydrophobicContact CB-CE2 3.82Å
388A94.6Very high93Very high1 Ų120.5 Ų20.51%0.00810%0.101CC..EExtended strand (participates in β ladder)trans-119.8146.1165.600000109.8Q335 L336 I337 I343 V395 F433Q335-A388 VanDerWaalsContact NE2-N 3.17Å; Q335-A388 PolarHBondContact NE2-O 3.18Å; L336-A388 WeakPolarHBondContact O-CB 3.44Å; I337-A388 HydrophobicContact CB-CB 4.21Å; I337-A388 HydrophobicContact CG1-CB 3.64Å; I343-A388 HydrophobicContact CG2-CB 4.26Å; A388-V395 HydrophobicContact CB-CG1 3.98Å; A388-F433 VanDerWaalsContact C-CD2 3.41Å
389L91.9Very high93.3Very high10 Ų1014.8 Ų14.85%0.0527%0.074CC..  trans-87.1118.7163.1172.363.3000107.4I131 S392 T394 F433 S434I131-L389 HydrophobicContact CD1-CD2 4.14Å; L389-S392 VanDerWaalsContact CB-OG 3.27Å; L389-S392 WeakPolarHBondContact CB-OG 3.42Å; L389-S392 WeakPolarHBondContact CG-OG 3.4Å; L389-S392 WeakPolarHBondContact O-CB 3.19Å; L389-S392 PolarHBondContact O-N 3.46Å; L389-S392 PolarHBondContact O-OG 2.82Å; L389-T394 PolarHBondContact N-O 2.71Å; L389-F433 HydrophobicContact CB-CB 4.12Å; L389-F433 HydrophobicContact CB-CD1 4.2Å; L389-F433 HydrophobicContact CB-CD2 4.05Å; L389-F433 HydrophobicContact CB-CE2 4.49Å; L389-F433 HydrophobicContact CB-CG 3.89Å; L389-F433 HydrophobicContact CD1-CB 4.09Å; L389-S434 WeakPolarHBondContact CD1-O 3.37Å
390H89.8Confident93.4Very high57 Ų5710.6 Ų10.626%0.2645%0.054SC..THydrogen-bonded Turntrans-54.3140-172.9-50.2102.8000112.2I337 S392I337-H390 WeakPolarHBondContact O-CA 3.23Å; H390-S392 PolarHBondContact O-N 2.84Å
391N88.1Confident93.4Very high15 Ų1510.1 Ų10.18%0.085%0.05CC..THydrogen-bonded Turntrans52.835.2178.2-70-17.1000113.4E122 L127 Q128 R129 I337 N338E122-N391 PolarHBondContact O-ND2 3.31Å; L127-N391 WeakPolarHBondContact O-CB 3.4Å; Q128-N391 CarbonylContact C-O 3.53Å; Q128-N391 WeakPolarHBondContact CA-O 3.47Å; R129-N391 PolarHBondContact N-O 2.94Å; I337-N391 PolarHBondContact O-N 2.93Å; N338-N391 WeakPolarHBondContact CB-OD1 3.4Å
392S89.6Confident93.2Very high0 Ų010.6 Ų10.60%06%0.056CC..BIsolated β-bridgetrans-137.5168.5-178.584.10000113.8R129 I337 L389 H390 T394 Y413R129-S392 VanDerWaalsContact O-CA 3.27Å; R129-S392 WeakPolarHBondContact O-CA 3.22Å; R129-S392 WeakPolarHBondContact O-CB 3.5Å; I337-S392 WeakPolarHBondContact CG2-O 3.38Å; L389-S392 VanDerWaalsContact CB-OG 3.27Å; L389-S392 WeakPolarHBondContact CB-OG 3.42Å; L389-S392 WeakPolarHBondContact CG-OG 3.4Å; L389-S392 WeakPolarHBondContact O-CB 3.19Å; L389-S392 PolarHBondContact O-N 3.46Å; L389-S392 PolarHBondContact O-OG 2.82Å; H390-S392 PolarHBondContact O-N 2.84Å; S392-T394 VanDerWaalsContact C-N 3.31Å; S392-T394 PolarHBondContact OG-N 2.67Å; S392-T394 VanDerWaalsContact OG-N 3.16Å; S392-Y413 PolarHBondContact O-OH 2.94Å
393D91.5Very high93.2Very high3 Ų312.9 Ų12.92%0.0167%0.068CC..SBendtrans-84.78.8171.566.3-13.3000114.7R129 L130 I131 A132 K408 C409R129-D393 PolarHBondContact O-N 2.92Å; L130-D393 WeakPolarHBondContact CA-OD2 3.29Å; L130-D393 HydrophobicContact CD2-CB 4.01Å; I131-D393 PolarHBondContact N-OD1 3.33Å; A132-D393 HydrophobicContact CB-CB 4.35Å; A132-D393 VanDerWaalsContact CB-OD1 3.23Å; A132-D393 WeakPolarHBondContact CB-OD1 3.45Å; A132-D393 WeakPolarHBondContact CB-OD2 3.43Å; A132-D393 PolarHBondContact N-OD1 3.29Å; D393-K408 WeakPolarHBondContact O-CA 3.43Å; D393-C409 HydrophobicContact CB-CB 4.27Å; D393-C409 PolarHBondContact O-N 3.09Å
394T92.7Very high93.3Very high1 Ų112.9 Ų12.91%0.0067%0.068CC..EExtended strand (participates in β ladder)trans-107.5129.6-176.3-54.30000112.7A132 L135 L389 S392 V406 F433A132-T394 WeakPolarHBondContact CB-OG1 3.44Å; L135-T394 HydrophobicContact CD1-CG2 3.65Å; L389-T394 PolarHBondContact N-O 2.71Å; S392-T394 VanDerWaalsContact C-N 3.31Å; S392-T394 PolarHBondContact OG-N 2.67Å; S392-T394 VanDerWaalsContact OG-N 3.16Å; T394-V406 HydrophobicContact CG2-CG1 4.08Å; T394-F433 HydrophobicContact CG2-CE1 3.95Å; T394-F433 HydrophobicContact CG2-CZ 3.9Å
395V95.4Very high93.4Very high0 Ų013.1 Ų13.10%07%0.069CC..EExtended strand (participates in β ladder)trans-136.4161.4174.2-59.90000110.9I337 I343 A387 A388 W407 L416I337-V395 HydrophobicContact CD1-CG1 3.92Å; I337-V395 HydrophobicContact CG1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CB 3.8Å; I343-V395 HydrophobicContact CD1-CG1 3.98Å; I343-V395 HydrophobicContact CD1-CG2 3.57Å; I343-V395 HydrophobicContact CG2-CG1 4.41Å; A387-V395 CarbonylContact O-C 3.58Å; A387-V395 WeakPolarHBondContact O-CA 3.09Å; A388-V395 HydrophobicContact CB-CG1 3.98Å; V395-W407 HydrophobicContact CG2-CB 3.79Å; V395-W407 HydrophobicContact CG2-CG 4.39Å; V395-W407 PolarHBondContact N-O 2.87Å; V395-W407 PolarHBondContact O-N 2.82Å; V395-L416 HydrophobicContact CG2-CD2 3.75Å
396A96.4Very high93.4Very high1 Ų112.9 Ų12.91%0.0087%0.067CC..EExtended strand (participates in β ladder)trans-138.2147.4176.400000111.6V386 A387 V404 N405 V406 L431 F433 L440V386-A396 CarbonylContact C-O 3.49Å; V386-A396 WeakPolarHBondContact CA-O 3.5Å; A387-A396 PolarHBondContact N-O 3.44Å; A387-A396 PolarHBondContact O-N 2.78Å; A396-V404 HydrophobicContact CB-CG1 4.25Å; A396-N405 CarbonylContact C-O 3.44Å; A396-N405 VanDerWaalsContact CA-O 3.25Å; A396-N405 WeakPolarHBondContact CA-O 3.38Å; A396-V406 HydrophobicContact CB-CG2 4.45Å; A396-L431 HydrophobicContact CB-CD1 4.37Å; A396-F433 HydrophobicContact CB-CE2 3.86Å; A396-F433 HydrophobicContact CB-CZ 3.65Å; A396-L440 HydrophobicContact CB-CD1 4.46Å; A396-L440 HydrophobicContact CB-CD2 3.77Å
397S97.1Very high93.3Very high0 Ų013 Ų130%07%0.067CC..EExtended strand (participates in β ladder)trans-122.9144.5172.562.60000110.9H369 V404 N405 W407H369-S397 PolarHBondContact CE1-O 3.31Å; H369-S397 WeakPolarHBondContact NE2-CB 3.45Å; H369-S397 PolarHBondContact NE2-O 2.95Å; H369-S397 PolarHBondContact NE2-OG 2.82Å; S397-V404 CarbonylContact O-C 3.59Å; S397-V404 WeakPolarHBondContact O-CA 3.49Å; S397-N405 PolarHBondContact N-O 3.07Å; S397-N405 PolarHBondContact O-N 3.32Å; S397-W407 PolarHBondContact OG-NE1 3.48Å
398G95.6Very high93.2Very high0 Ų014.6 Ų14.60%07%0.074CC..EExtended strand (participates in β ladder)trans-127.5136.7-18000000110.2V383 S384 S385V383-G398 CarbonylContact C-O 3.56Å; S384-G398 PolarHBondContact N-O 2.85Å; S384-G398 PolarHBondContact OG-O 2.91Å; S385-G398 PolarHBondContact N-O 2.93Å; S385-G398 PolarHBondContact O-N 2.87Å
399S94.6Very high93.1Very high0 Ų014.8 Ų14.80%08%0.075CC..  trans-128.5-161.7-178.2-174.20000110.6H369 H381 W382 I428H369-S399 VanDerWaalsContact ND1-CB 3.3Å; H369-S399 WeakPolarHBondContact ND1-CB 3.33Å; H381-S399 PolarHBondContact O-OG 2.89Å; W382-S399 WeakPolarHBondContact O-CA 3.18Å; W382-S399 WeakPolarHBondContact O-CB 3.43Å; W382-S399 PolarHBondContact O-OG 3.04Å; S399-I428 WeakPolarHBondContact O-CB 3.49Å; S399-I428 PolarHBondContact O-N 2.89Å
400H90.9Very high92.7Very high20 Ų2014.6 Ų14.69%0.0938%0.075CC..SBendtrans-104.1-0.3170.268.3-92.3000112.8H372 H381 S402 F427H372-H400 AromaticContact CD2-NE2 3.53Å; H372-H400 AromaticContact NE2-CE1 3.97Å; H372-H400 AromaticContact NE2-NE2 3.65Å; H381-H400 AromaticContact CE1-CD2 3.95Å; H381-H400 AromaticContact CE1-NE2 3.61Å; H381-H400 AromaticContact ND1-CD2 3.49Å; H381-H400 PolarHBondContact ND1-CD2 3.17Å; H381-H400 AromaticContact ND1-CE1 3.41Å; H381-H400 PolarHBondContact ND1-CE1 2.82Å; H381-H400 AromaticContact ND1-NE2 2.93Å; H381-H400 PolarHBondContact ND1-NE2 2.87Å; H400-S402 PolarHBondContact O-N 3.26Å; H400-F427 HydrophobicContact CB-CD1 3.54Å; H400-F427 HydrophobicContact CB-CD2 4.22Å; H400-F427 HydrophobicContact CB-CE1 3.33Å; H400-F427 HydrophobicContact CB-CE2 4.05Å; H400-F427 HydrophobicContact CB-CG 3.96Å; H400-F427 HydrophobicContact CB-CZ 3.58Å; H400-F427 AromaticContact CG-CE1 3.93Å
401N91.2Very high92.3Very high30 Ų3020.1 Ų20.116%0.1610%0.101CC..SBendtrans-69.38.4171.884-29.8000113.7H369 H381 Q403H369-N401 PolarHBondContact ND1-OD1 2.85Å; H369-N401 PolarHBondContact O-ND2 2.85Å; H381-N401 HydrophobicContact CB-CB 4.37Å; N401-Q403 VanDerWaalsContact C-N 3.28Å; N401-Q403 PolarHBondContact ND2-OE1 2.88Å; N401-Q403 VanDerWaalsContact ND2-OE1 3.13Å; N401-Q403 PolarHBondContact O-N 3.29Å; N401-Q403 WeakPolarHBondContact OD1-CB 3.2Å; N401-Q403 PolarHBondContact OD1-N 3.38Å; N401-Q403 PolarHBondContact OD1-O 2.86Å
402S89.7Confident91.9Very high38 Ų3824.7 Ų24.727%0.26613%0.126SC..SBendtrans5930.2-175.5-63.60000115.3H400 V424 G426H400-S402 PolarHBondContact O-N 3.26Å; S402-V424 CarbonylContact C-O 3.59Å; S402-V424 WeakPolarHBondContact CA-O 3.49Å; S402-V424 WeakPolarHBondContact CB-O 3.32Å; S402-V424 CarbonylContact O-C 3.48Å; S402-V424 PolarHBondContact O-N 3.45Å; S402-V424 VanDerWaalsContact O-O 3.13Å; S402-G426 PolarHBondContact OG-N 3.48Å; S402-G426 VanDerWaalsContact OG-N 3.14Å
403Q92.4Very high91.6Very high77 Ų7724.9 Ų24.936%0.3613%0.126SC..EExtended strand (participates in β ladder)trans-132.9141173.6-61174.7-20.700111.6H369 N401 V422 I428H369-Q403 PolarHBondContact CE1-O 2.82Å; H369-Q403 VanDerWaalsContact CE1-O 3.22Å; H369-Q403 PolarHBondContact ND1-O 3.19Å; N401-Q403 VanDerWaalsContact C-N 3.28Å; N401-Q403 PolarHBondContact ND2-OE1 2.88Å; N401-Q403 VanDerWaalsContact ND2-OE1 3.13Å; N401-Q403 PolarHBondContact O-N 3.29Å; N401-Q403 WeakPolarHBondContact OD1-CB 3.2Å; N401-Q403 PolarHBondContact OD1-N 3.38Å; N401-Q403 PolarHBondContact OD1-O 2.86Å; Q403-V422 WeakPolarHBondContact CA-O 3.21Å; Q403-I428 VanDerWaalsContact C-CD1 3.46Å; Q403-I428 WeakPolarHBondContact O-CD1 3.23Å
404V95.4Very high91.1Very high0 Ų033.2 Ų33.20%016%0.158CC..EExtended strand (participates in β ladder)trans-97.9119.9162.8177.30000107.6A396 S397 S421 V422 V424 I428 L431 L440 A442 I466A396-V404 HydrophobicContact CB-CG1 4.25Å; S397-V404 CarbonylContact O-C 3.59Å; S397-V404 WeakPolarHBondContact O-CA 3.49Å; V404-S421 CarbonylContact O-C 3.56Å; V404-S421 WeakPolarHBondContact O-CA 3.2Å; V404-V422 HydrophobicContact CB-CB 4.41Å; V404-V422 PolarHBondContact N-O 3.04Å; V404-V422 PolarHBondContact O-N 3.45Å; V404-V424 HydrophobicContact CG2-CB 4.17Å; V404-V424 HydrophobicContact CG2-CG2 3.85Å; V404-I428 HydrophobicContact CG2-CD1 3.59Å; V404-I428 HydrophobicContact CG2-CG1 4.24Å; V404-I428 HydrophobicContact CG2-CG2 4.25Å; V404-L431 HydrophobicContact CG1-CD1 4.22Å; V404-L431 HydrophobicContact CG1-CD2 4.16Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; V404-L440 HydrophobicContact CG1-CD2 3.77Å; V404-A442 HydrophobicContact CG2-CB 4.35Å; V404-I466 HydrophobicContact CG2-CD1 4.37Å
405N95.8Very high90.8Very high7 Ų734.1 Ų34.14%0.03717%0.167CC..EExtended strand (participates in β ladder)trans-96.2126.2177-74.9-5.7000109.1A368 A396 S397 W407 L418 S421A368-N405 PolarHBondContact O-ND2 2.63Å; A396-N405 CarbonylContact C-O 3.44Å; A396-N405 VanDerWaalsContact CA-O 3.25Å; A396-N405 WeakPolarHBondContact CA-O 3.38Å; S397-N405 PolarHBondContact N-O 3.07Å; S397-N405 PolarHBondContact O-N 3.32Å; N405-W407 HydrophobicContact CB-CZ2 3.68Å; N405-W407 VanDerWaalsContact O-CD1 3.3Å; N405-W407 PolarHBondContact O-NE1 2.51Å; N405-L418 HydrophobicContact CB-CD1 3.74Å; N405-S421 VanDerWaalsContact OD1-CB 3.24Å; N405-S421 WeakPolarHBondContact OD1-CB 3.44Å; N405-S421 PolarHBondContact OD1-OG 2.91Å
406V95.4Very high90.7Very high1 Ų135.1 Ų35.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-103128.9176.8-172.70000108.5T394 A396 L419 F420 L440T394-V406 HydrophobicContact CG2-CG1 4.08Å; A396-V406 HydrophobicContact CB-CG2 4.45Å; V406-L419 HydrophobicContact CG1-CD1 4.28Å; V406-L419 WeakPolarHBondContact O-CB 3.16Å; V406-L419 PolarHBondContact O-N 2.76Å; V406-F420 HydrophobicContact CB-CD2 4.2Å; V406-F420 HydrophobicContact CB-CE2 3.9Å; V406-F420 HydrophobicContact CB-CZ 4.14Å; V406-F420 HydrophobicContact CG1-CE2 4.49Å; V406-F420 HydrophobicContact CG1-CZ 4.27Å; V406-F420 HydrophobicContact CG2-CD2 4.11Å; V406-F420 HydrophobicContact CG2-CE2 3.59Å; V406-F420 HydrophobicContact CG2-CZ 4.15Å; V406-F420 PolarHBondContact N-O 3.35Å; V406-L440 HydrophobicContact CG2-CD2 4.39Å
407W95.4Very high90.5Very high13 Ų1339.9 Ų39.95%0.04919%0.194CC..EExtended strand (participates in β ladder)trans-123.8148.4-173.2-41.175.4000111.4V365 A368 V395 S397 N405 L416 E417 L418V365-W407 HydrophobicContact CG1-CH2 4Å; V365-W407 HydrophobicContact CG1-CZ3 4Å; V365-W407 HydrophobicContact CG2-CZ3 4.35Å; A368-W407 HydrophobicContact CB-CH2 3.91Å; A368-W407 HydrophobicContact CB-CZ2 3.79Å; A368-W407 WeakPolarHBondContact O-CH2 3.45Å; A368-W407 WeakPolarHBondContact O-CZ2 3.39Å; V395-W407 HydrophobicContact CG2-CB 3.79Å; V395-W407 HydrophobicContact CG2-CG 4.39Å; V395-W407 PolarHBondContact N-O 2.87Å; V395-W407 PolarHBondContact O-N 2.82Å; S397-W407 PolarHBondContact OG-NE1 3.48Å; N405-W407 HydrophobicContact CB-CZ2 3.68Å; N405-W407 VanDerWaalsContact O-CD1 3.3Å; N405-W407 PolarHBondContact O-NE1 2.51Å; W407-L416 HydrophobicContact CB-CD2 4.35Å; W407-L416 HydrophobicContact CE3-CB 4.38Å; W407-E417 CarbonylContact C-O 3.6Å; W407-E417 WeakPolarHBondContact CA-O 3.48Å; W407-E417 WeakPolarHBondContact CB-O 3.4Å; W407-L418 HydrophobicContact CD2-CD1 4.03Å; W407-L418 HydrophobicContact CE3-CB 3.81Å; W407-L418 HydrophobicContact CE3-CD1 4.03Å; W407-L418 HydrophobicContact CH2-CB 4.48Å; W407-L418 HydrophobicContact CH2-CD1 4.1Å; W407-L418 HydrophobicContact CZ2-CD1 4.11Å; W407-L418 HydrophobicContact CZ3-CB 3.76Å; W407-L418 HydrophobicContact CZ3-CD1 4.08Å; W407-L418 HydrophobicContact CZ3-CG 4.44Å
408K94.1Very high90.4Very high33 Ų3344 Ų4414%0.14322%0.216CC..EExtended strand (participates in β ladder)trans-98.2125.7170.1170.4167.9156.7-71.10109.6A132 K133 D393 L416 E417 L419A132-K408 HydrophobicContact CB-CB 3.77Å; A132-K408 HydrophobicContact CB-CD 3.91Å; A132-K408 HydrophobicContact CB-CG 3.69Å; K133-K408 HydrophobicContact CG-CD 4.45Å; D393-K408 WeakPolarHBondContact O-CA 3.43Å; K408-L416 WeakPolarHBondContact O-CA 3.34Å; K408-E417 HydrophobicContact CB-CB 4.39Å; K408-E417 PolarHBondContact N-O 2.98Å; K408-E417 IonicContact NZ-OE1 3.75Å; K408-E417 PolarHBondContact NZ-OE1 2.97Å; K408-E417 VanDerWaalsContact NZ-OE1 3.15Å; K408-E417 IonicContact NZ-OE2 2.65Å; K408-E417 PolarHBondContact NZ-OE2 3.49Å; K408-E417 PolarHBondContact O-N 3.21Å; K408-L419 HydrophobicContact CB-CD1 4.13Å; K408-L419 HydrophobicContact CB-CD2 3.83Å; K408-L419 HydrophobicContact CB-CG 3.88Å; K408-L419 HydrophobicContact CD-CD2 4.22Å
409C91.6Very high90.2Very high4 Ų446.9 Ų46.93%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-66.8130.1167.9-69.40000109.9D393 Y413D393-C409 HydrophobicContact CB-CB 4.27Å; D393-C409 PolarHBondContact O-N 3.09Å; C409-Y413 HydrophobicContact CB-CD1 3.64Å; C409-Y413 HydrophobicContact CB-CE1 3.88Å
410G84.7Confident90.1Very high6 Ų648.1 Ų48.16%0.06224%0.236CC..PPolyproline II helixtrans-63.9163.7171.300000111.9N412 Y413 G415G410-N412 PolarHBondContact O-N 3.29Å; G410-Y413 WeakPolarHBondContact O-CA 3.39Å; G410-Y413 PolarHBondContact O-N 3.19Å; G410-G415 PolarHBondContact N-O 3.01Å
411Q81.6Confident90.2Very high174 Ų17449.5 Ų49.581%0.81325%0.248SC*.G310 helixtrans-51.9134.5178.1-68.9-178.5-7.600111.5Y413 R414Q411-Y413 PolarHBondContact O-N 2.78Å; Q411-R414 PolarHBondContact O-N 2.84Å
412N79.1Confident90.3Very high111 Ų11148.2 Ų48.259%0.59424%0.241SC*.G310 helixtrans54.530-174.1-56.2-68.5000114.1G410 R414G410-N412 PolarHBondContact O-N 3.29Å; N412-R414 VanDerWaalsContact C-N 3.27Å; N412-R414 HydrophobicContact CB-CG 4.3Å; N412-R414 WeakPolarHBondContact O-CG 3.47Å; N412-R414 PolarHBondContact O-N 3.39Å
413Y82.8Confident90.5Very high3 Ų350.3 Ų50.31%0.01225%0.254CS..G310 helixtrans56.835.4-180-58.5-85.2000113.6Q128 I337 H341 L353 L362 S392 C409 G410 Q411 G415Q128-Y413 VanDerWaalsContact CD-OH 3.26Å; Q128-Y413 PolarHBondContact NE2-OH 2.89Å; I337-Y413 HydrophobicContact CD1-CD1 4.06Å; I337-Y413 HydrophobicContact CD1-CE1 4.12Å; I337-Y413 HydrophobicContact CG2-CE1 3.85Å; H341-Y413 HydrophobicContact CB-CD1 4.46Å; H341-Y413 HydrophobicContact CB-CD2 4.36Å; H341-Y413 HydrophobicContact CB-CG 4.23Å; H341-Y413 AromaticContact CD2-CD2 3.22Å; H341-Y413 WeakPolarHBondContact CD2-CD2 3.35Å; H341-Y413 AromaticContact CD2-CE2 3.61Å; H341-Y413 AromaticContact CD2-CG 3.86Å; H341-Y413 AromaticContact CE1-CD2 3.86Å; H341-Y413 AromaticContact CG-CD2 3.62Å; H341-Y413 AromaticContact CG-CG 3.75Å; H341-Y413 AromaticContact ND1-CG 3.95Å; H341-Y413 AromaticContact NE2-CD2 3.4Å; H341-Y413 WeakPolarHBondContact NE2-CD2 3.17Å; L353-Y413 HydrophobicContact CD1-CD1 4.32Å; L353-Y413 HydrophobicContact CD2-CD1 4.42Å; L353-Y413 VanDerWaalsContact CD2-O 3.25Å; L353-Y413 WeakPolarHBondContact CD2-O 3.33Å; L362-Y413 VanDerWaalsContact CB-O 3.3Å; L362-Y413 WeakPolarHBondContact CB-O 3.23Å; L362-Y413 WeakPolarHBondContact CD1-O 3.1Å; S392-Y413 PolarHBondContact O-OH 2.94Å; C409-Y413 HydrophobicContact CB-CD1 3.64Å; C409-Y413 HydrophobicContact CB-CE1 3.88Å; G410-Y413 WeakPolarHBondContact O-CA 3.39Å; G410-Y413 PolarHBondContact O-N 3.19Å; Q411-Y413 PolarHBondContact O-N 2.78Å; Y413-G415 PolarHBondContact O-N 3Å
414R80.6Confident90.5Very high179 Ų17946.7 Ų46.768%0.67524%0.237SC*.  trans-99.344.3-178.1-59.3-169.8-176.9-1744.6113.8Q411 N412Q411-R414 PolarHBondContact O-N 2.84Å; N412-R414 VanDerWaalsContact C-N 3.27Å; N412-R414 HydrophobicContact CB-CG 4.3Å; N412-R414 WeakPolarHBondContact O-CG 3.47Å; N412-R414 PolarHBondContact O-N 3.39Å
415G87.1Confident90.3Very high19 Ų1949.3 Ų49.320%0.19626%0.256CS..  trans149.5167.6179.200000112.3L353 G410 Y413L353-G415 WeakPolarHBondContact CD2-O 3.35Å; G410-G415 PolarHBondContact N-O 3.01Å; Y413-G415 PolarHBondContact O-N 3Å
416L92.5Very high90.1Very high21 Ų2149 Ų4911%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-130.2122.6173.7-69.2169.8000107.9I343 V351 L353 V365 V395 W407 K408I343-L416 HydrophobicContact CD1-CD1 4.13Å; I343-L416 HydrophobicContact CD1-CD2 4.3Å; V351-L416 HydrophobicContact CB-CD1 4.33Å; V351-L416 HydrophobicContact CG1-CD1 3.65Å; L353-L416 HydrophobicContact CB-CD1 4.23Å; L353-L416 HydrophobicContact CB-CG 4.29Å; L353-L416 HydrophobicContact CD2-CD2 3.95Å; L353-L416 HydrophobicContact CD2-CG 4.11Å; V365-L416 HydrophobicContact CG2-CB 3.87Å; V365-L416 HydrophobicContact CG2-CD1 4.47Å; V395-L416 HydrophobicContact CG2-CD2 3.75Å; W407-L416 HydrophobicContact CB-CD2 4.35Å; W407-L416 HydrophobicContact CE3-CB 4.38Å; K408-L416 WeakPolarHBondContact O-CA 3.34Å
417E93.3Very high90.1Very high101 Ų10149.1 Ų49.147%0.47225%0.254SS..EExtended strand (participates in β ladder)trans-106.1129.8176.1-65.3165.1-149.100108.3W407 K408 L419W407-E417 CarbonylContact C-O 3.6Å; W407-E417 WeakPolarHBondContact CA-O 3.48Å; W407-E417 WeakPolarHBondContact CB-O 3.4Å; K408-E417 HydrophobicContact CB-CB 4.39Å; K408-E417 PolarHBondContact N-O 2.98Å; K408-E417 IonicContact NZ-OE1 3.75Å; K408-E417 PolarHBondContact NZ-OE1 2.97Å; K408-E417 VanDerWaalsContact NZ-OE1 3.15Å; K408-E417 IonicContact NZ-OE2 2.65Å; K408-E417 PolarHBondContact NZ-OE2 3.49Å; K408-E417 PolarHBondContact O-N 3.21Å; E417-L419 PolarHBondContact O-N 3.47Å
418L93.8Very high90.1Very high88 Ų8848.5 Ų48.546%0.46125%0.252SS..EExtended strand (participates in β ladder)trans-70.9126.9174.7-176.565.8000109.4N405 W407N405-L418 HydrophobicContact CB-CD1 3.74Å; W407-L418 HydrophobicContact CD2-CD1 4.03Å; W407-L418 HydrophobicContact CE3-CB 3.81Å; W407-L418 HydrophobicContact CE3-CD1 4.03Å; W407-L418 HydrophobicContact CH2-CB 4.48Å; W407-L418 HydrophobicContact CH2-CD1 4.1Å; W407-L418 HydrophobicContact CZ2-CD1 4.11Å; W407-L418 HydrophobicContact CZ3-CB 3.76Å; W407-L418 HydrophobicContact CZ3-CD1 4.08Å; W407-L418 HydrophobicContact CZ3-CG 4.44Å
419L91.6Very high90.1Very high59 Ų5947 Ų4731%0.30925%0.246SC..EExtended strand (participates in β ladder)trans-88.6-57.1173.2-67.3173.7000110.8A132 L135 V406 K408 E417A132-L419 HydrophobicContact CB-CD1 4.14Å; A132-L419 VanDerWaalsContact O-CD1 3.27Å; A132-L419 WeakPolarHBondContact O-CD1 3.45Å; A132-L419 WeakPolarHBondContact O-CD2 3.37Å; L135-L419 HydrophobicContact CD1-CD1 4.43Å; V406-L419 HydrophobicContact CG1-CD1 4.28Å; V406-L419 WeakPolarHBondContact O-CB 3.16Å; V406-L419 PolarHBondContact O-N 2.76Å; K408-L419 HydrophobicContact CB-CD1 4.13Å; K408-L419 HydrophobicContact CB-CD2 3.83Å; K408-L419 HydrophobicContact CB-CG 3.88Å; K408-L419 HydrophobicContact CD-CD2 4.22Å; E417-L419 PolarHBondContact O-N 3.47Å
420F92.8Very high90.3Very high26 Ų2647.6 Ų47.611%0.11425%0.25CC..EExtended strand (participates in β ladder)trans-162.4162.1-179.353.4-99.5000111.5L135 P137 P138 V406 V422 L468L135-F420 HydrophobicContact CB-CE1 4.22Å; P137-F420 HydrophobicContact CB-CB 4.08Å; P137-F420 HydrophobicContact CB-CD1 4.07Å; P137-F420 HydrophobicContact CB-CD2 4.21Å; P137-F420 HydrophobicContact CB-CG 3.88Å; P138-F420 HydrophobicContact CG-CE2 4.46Å; V406-F420 HydrophobicContact CB-CD2 4.2Å; V406-F420 HydrophobicContact CB-CE2 3.9Å; V406-F420 HydrophobicContact CB-CZ 4.14Å; V406-F420 HydrophobicContact CG1-CE2 4.49Å; V406-F420 HydrophobicContact CG1-CZ 4.27Å; V406-F420 HydrophobicContact CG2-CD2 4.11Å; V406-F420 HydrophobicContact CG2-CE2 3.59Å; V406-F420 HydrophobicContact CG2-CZ 4.15Å; V406-F420 PolarHBondContact N-O 3.35Å; F420-V422 HydrophobicContact CD2-CG2 3.76Å; F420-V422 HydrophobicContact CE2-CG2 3.72Å; F420-L468 HydrophobicContact CZ-CD2 4.37Å
421S93.9Very high90.8Very high50 Ų5047.4 Ų47.435%0.3525%0.247SC..EExtended strand (participates in β ladder)trans-113.6127.2175.8-61.10000109.9V404 N405V404-S421 CarbonylContact O-C 3.56Å; V404-S421 WeakPolarHBondContact O-CA 3.2Å; N405-S421 VanDerWaalsContact OD1-CB 3.24Å; N405-S421 WeakPolarHBondContact OD1-CB 3.44Å; N405-S421 PolarHBondContact OD1-OG 2.91Å
422V93.6Very high91.5Very high2 Ų242 Ų421%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-100.9123.2178.2-172.70000109.3P138 I143 Q403 V404 F420 V424 I466P138-V422 HydrophobicContact CG-CG1 4.27Å; P138-V422 HydrophobicContact CG-CG2 3.86Å; I143-V422 HydrophobicContact CD1-CG1 3.43Å; I143-V422 VanDerWaalsContact CD1-CG1 3.43Å; Q403-V422 WeakPolarHBondContact CA-O 3.21Å; V404-V422 HydrophobicContact CB-CB 4.41Å; V404-V422 PolarHBondContact N-O 3.04Å; V404-V422 PolarHBondContact O-N 3.45Å; F420-V422 HydrophobicContact CD2-CG2 3.76Å; F420-V422 HydrophobicContact CE2-CG2 3.72Å; V422-V424 HydrophobicContact CG1-CG2 4.18Å; V422-V424 PolarHBondContact O-N 3.15Å; V422-I466 HydrophobicContact CG1-CD1 4.19Å; V422-I466 HydrophobicContact CG1-CG1 4.43Å; V422-I466 HydrophobicContact CG1-CG2 4.09Å; V422-I466 HydrophobicContact CG2-CG2 4.36Å
423P92.4Very high92.3Very high83 Ų8337.3 Ų37.354%0.53920%0.195SC..EExtended strand (participates in β ladder)trans-73.5121.1-179.529.1-33.7000111.4
424V92.6Very high92.9Very high1 Ų137.1 Ų37.11%0.00620%0.195CC..  trans-142.6103.4-175178.30000109.4S402 V404 V422 G426 I428 A442 V444 Y464 I466S402-V424 CarbonylContact C-O 3.59Å; S402-V424 WeakPolarHBondContact CA-O 3.49Å; S402-V424 WeakPolarHBondContact CB-O 3.32Å; S402-V424 CarbonylContact O-C 3.48Å; S402-V424 PolarHBondContact O-N 3.45Å; S402-V424 VanDerWaalsContact O-O 3.13Å; V404-V424 HydrophobicContact CG2-CB 4.17Å; V404-V424 HydrophobicContact CG2-CG2 3.85Å; V422-V424 HydrophobicContact CG1-CG2 4.18Å; V422-V424 PolarHBondContact O-N 3.15Å; V424-G426 PolarHBondContact O-N 2.85Å; V424-I428 HydrophobicContact CB-CD1 4.43Å; V424-I428 HydrophobicContact CG1-CG1 4.27Å; V424-A442 HydrophobicContact CG1-CB 4.42Å; V424-V444 HydrophobicContact CG1-CG2 3.5Å; V424-V444 VanDerWaalsContact CG1-CG2 3.5Å; V424-Y464 HydrophobicContact CG1-CD1 4.1Å; V424-Y464 HydrophobicContact CG1-CD2 4.18Å; V424-Y464 HydrophobicContact CG1-CG 3.94Å; V424-I466 HydrophobicContact CG2-CD1 4.03Å
425S91.4Very high93.2Very high55 Ų5531.4 Ų31.439%0.38518%0.182SC..  trans-73.397.6-167.251.30000115.2V444 A459S425-V444 WeakPolarHBondContact O-CG1 3.34Å; S425-A459 WeakPolarHBondContact O-CA 3.43Å; S425-A459 WeakPolarHBondContact O-CB 3.48Å
426G92.1Very high93.2Very high0 Ų033 Ų330%019%0.19CC..SBendtrans149.1-164.416900000115.6S402 V424 A459S402-G426 PolarHBondContact OG-N 3.48Å; S402-G426 VanDerWaalsContact OG-N 3.14Å; V424-G426 PolarHBondContact O-N 2.85Å; G426-A459 VanDerWaalsContact CA-CB 3.44Å
427F94.5Very high92.9Very high3 Ų332 Ų321%0.01319%0.186CC..EExtended strand (participates in β ladder)trans-75.9116167.1-83.6-96000109.3H400 N429 V444 G445 H448 W454 L456H400-F427 HydrophobicContact CB-CD1 3.54Å; H400-F427 HydrophobicContact CB-CD2 4.22Å; H400-F427 HydrophobicContact CB-CE1 3.33Å; H400-F427 HydrophobicContact CB-CE2 4.05Å; H400-F427 HydrophobicContact CB-CG 3.96Å; H400-F427 HydrophobicContact CB-CZ 3.58Å; H400-F427 AromaticContact CG-CE1 3.93Å; F427-N429 PolarHBondContact O-N 3.12Å; F427-N429 VanDerWaalsContact O-N 3.16Å; F427-V444 WeakPolarHBondContact O-CA 3.46Å; F427-G445 PolarHBondContact N-O 2.84Å; F427-G445 PolarHBondContact O-N 2.94Å; F427-H448 HydrophobicContact CD1-CB 3.86Å; F427-H448 HydrophobicContact CE1-CB 4.02Å; F427-W454 HydrophobicContact CE1-CE3 4.38Å; F427-W454 HydrophobicContact CE2-CB 4.32Å; F427-W454 HydrophobicContact CZ-CB 3.93Å; F427-W454 HydrophobicContact CZ-CE3 4.08Å; F427-L456 HydrophobicContact CD2-CD1 3.83Å; F427-L456 HydrophobicContact CD2-CG 4.19Å; F427-L456 HydrophobicContact CE2-CD1 3.91Å; F427-L456 HydrophobicContact CE2-CG 3.92Å
428I95.8Very high92.7Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-86.687.2176.8-57.2150.5000107.7S384 S385 S399 Q403 V404 V424 L431 A442 V444S384-I428 PolarHBondContact OG-O 3.3Å; S385-I428 PolarHBondContact OG-O 3.13Å; S399-I428 WeakPolarHBondContact O-CB 3.49Å; S399-I428 PolarHBondContact O-N 2.89Å; Q403-I428 VanDerWaalsContact C-CD1 3.46Å; Q403-I428 WeakPolarHBondContact O-CD1 3.23Å; V404-I428 HydrophobicContact CG2-CD1 3.59Å; V404-I428 HydrophobicContact CG2-CG1 4.24Å; V404-I428 HydrophobicContact CG2-CG2 4.25Å; V424-I428 HydrophobicContact CB-CD1 4.43Å; V424-I428 HydrophobicContact CG1-CG1 4.27Å; I428-L431 HydrophobicContact CG2-CD1 4.15Å; I428-L431 HydrophobicContact CG2-CD2 3.78Å; I428-L431 HydrophobicContact CG2-CG 3.73Å; I428-A442 HydrophobicContact CG2-CB 4.3Å; I428-V444 HydrophobicContact CG1-CG2 4.43Å
429N95.1Very high92.7Very high3 Ų330.1 Ų30.12%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-78.7-20.6-172.6-78.3-28.3000113.3I153 F427 G443 E447 H448 R449I153-N429 WeakPolarHBondContact O-CB 3.36Å; I153-N429 PolarHBondContact O-ND2 3.45Å; F427-N429 PolarHBondContact O-N 3.12Å; F427-N429 VanDerWaalsContact O-N 3.16Å; N429-G443 PolarHBondContact N-O 2.84Å; N429-E447 PolarHBondContact ND2-O 2.86Å; N429-H448 VanDerWaalsContact OD1-CA 3.3Å; N429-H448 WeakPolarHBondContact OD1-CA 3.36Å; N429-H448 PolarHBondContact OD1-CD2 3.28Å; N429-R449 HydrophobicContact CB-CB 4.07Å; N429-R449 PolarHBondContact ND2-N 2.79Å; N429-R449 PolarHBondContact OD1-N 2.85Å
430S95Very high92.9Very high15 Ų1527.3 Ų27.311%0.10516%0.159CC..EExtended strand (participates in β ladder)trans-154.4140.5179.8-163.80000110.3L156 G443L156-S430 PolarHBondContact N-OG 2.99Å; S430-G443 PolarHBondContact N-O 2.94Å; S430-G443 PolarHBondContact O-N 2.94Å
431L96.1Very high93.1Very high2 Ų226 Ų261%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-131.1139.5172.9-75.5170.3000108.5A387 A396 V404 I428 L440 V441 A442A387-L431 HydrophobicContact CB-CB 3.64Å; A396-L431 HydrophobicContact CB-CD1 4.37Å; V404-L431 HydrophobicContact CG1-CD1 4.22Å; V404-L431 HydrophobicContact CG1-CD2 4.16Å; V404-L431 HydrophobicContact CG2-CD2 4.07Å; I428-L431 HydrophobicContact CG2-CD1 4.15Å; I428-L431 HydrophobicContact CG2-CD2 3.78Å; I428-L431 HydrophobicContact CG2-CG 3.73Å; L431-L440 HydrophobicContact CB-CD1 4.45Å; L431-L440 HydrophobicContact CD2-CD1 4.16Å; L431-L440 HydrophobicContact CD2-CD2 4.48Å; L431-L440 HydrophobicContact CD2-CG 4.32Å; L431-V441 WeakPolarHBondContact CA-O 3.2Å; L431-A442 HydrophobicContact CD2-CB 3.59Å
432K96.3Very high93.2Very high61 Ų6123.7 Ų23.727%0.26514%0.137SC..EExtended strand (participates in β ladder)trans-145.8137.1165.4-70.5-62.1172.5-177.10110.7I158 V441I158-K432 HydrophobicContact CD1-CB 3.9Å; I158-K432 WeakPolarHBondContact CD1-O 3.5Å; I158-K432 HydrophobicContact CG1-CB 4.21Å; K432-V441 PolarHBondContact N-O 3.43Å; K432-V441 PolarHBondContact O-N 2.95Å
433F95.7Very high93.3Very high12 Ų1223.6 Ų23.65%0.05314%0.136CC..EExtended strand (participates in β ladder)trans-81.9145.2168-70-90.4000110.3A387 A388 L389 T394 A396 L440 L468A387-F433 HydrophobicContact CB-CD2 3.74Å; A387-F433 HydrophobicContact CB-CE2 3.82Å; A388-F433 VanDerWaalsContact C-CD2 3.41Å; L389-F433 HydrophobicContact CB-CB 4.12Å; L389-F433 HydrophobicContact CB-CD1 4.2Å; L389-F433 HydrophobicContact CB-CD2 4.05Å; L389-F433 HydrophobicContact CB-CE2 4.49Å; L389-F433 HydrophobicContact CB-CG 3.89Å; L389-F433 HydrophobicContact CD1-CB 4.09Å; T394-F433 HydrophobicContact CG2-CE1 3.95Å; T394-F433 HydrophobicContact CG2-CZ 3.9Å; A396-F433 HydrophobicContact CB-CE2 3.86Å; A396-F433 HydrophobicContact CB-CZ 3.65Å; F433-L440 HydrophobicContact CD1-CB 4.18Å; F433-L440 HydrophobicContact CD1-CD1 4Å; F433-L440 HydrophobicContact CD2-CD1 4.05Å; F433-L440 HydrophobicContact CE1-CB 4.28Å; F433-L440 HydrophobicContact CE1-CD1 4.1Å; F433-L440 HydrophobicContact CE1-CD2 4.31Å; F433-L440 HydrophobicContact CE1-CG 4.48Å; F433-L440 HydrophobicContact CE2-CD1 4.14Å; F433-L440 HydrophobicContact CG-CD1 3.99Å; F433-L440 HydrophobicContact CZ-CD1 4.17Å; F433-L440 HydrophobicContact CZ-CD2 4.39Å; F433-L468 HydrophobicContact CD1-CD1 3.68Å; F433-L468 HydrophobicContact CE1-CD1 3.65Å
434S94.2Very high93.4Very high0 Ų019.6 Ų19.60%011%0.111CC..  trans-54145.2162.959.70000111.4D162 L389 S436 G437 Q438 F439D162-S434 WeakPolarHBondContact OD1-CA 3.47Å; D162-S434 WeakPolarHBondContact OD1-CB 3.33Å; D162-S434 WeakPolarHBondContact OD2-CB 3.39Å; L389-S434 WeakPolarHBondContact CD1-O 3.37Å; S434-S436 VanDerWaalsContact C-N 3.27Å; S434-S436 PolarHBondContact O-N 3.46Å; S434-G437 PolarHBondContact O-N 3.3Å; S434-G437 WeakPolarHBondContact OG-CA 3.35Å; S434-G437 PolarHBondContact OG-N 2.81Å; S434-G437 VanDerWaalsContact OG-N 3.16Å; S434-Q438 PolarHBondContact OG-N 2.97Å; S434-F439 WeakPolarHBondContact CB-O 3.48Å; S434-F439 PolarHBondContact N-O 3.27Å; S434-F439 PolarHBondContact OG-N 2.84Å; S434-F439 PolarHBondContact OG-O 2.81Å
435S88.3Confident93.5Very high59 Ų5919.6 Ų19.641%0.41311%0.11SC..THydrogen-bonded Turntrans-55.6-40.2176.7-54.70000112.6P160 D162 G437P160-S435 WeakPolarHBondContact O-CB 3.39Å; P160-S435 PolarHBondContact O-OG 3.15Å; D162-S435 VanDerWaalsContact CG-N 3.35Å; D162-S435 PolarHBondContact OD1-N 2.99Å; D162-S435 PolarHBondContact OD2-N 2.92Å; D162-S435 VanDerWaalsContact OD2-N 3.15Å; S435-G437 VanDerWaalsContact C-N 3.27Å; S435-G437 PolarHBondContact O-N 3.42Å
436S85.6Confident93.6Very high52 Ų5218.6 Ų18.636%0.36410%0.1SC..THydrogen-bonded Turntrans-70.8-15.6175.557.60000114.7D162 S434 Q438 R470D162-S436 WeakPolarHBondContact OD2-CB 3.23Å; D162-S436 PolarHBondContact OD2-N 3.46Å; D162-S436 PolarHBondContact OD2-OG 3.5Å; S434-S436 VanDerWaalsContact C-N 3.27Å; S434-S436 PolarHBondContact O-N 3.46Å; S436-Q438 VanDerWaalsContact C-N 3.33Å; S436-Q438 PolarHBondContact OG-N 2.89Å; S436-R470 PolarHBondContact O-NH2 2.77Å
437G87Confident93.7Very high1 Ų119.7 Ų19.71%0.0111%0.105CC..SBendtrans64.429.8-170.200000114.5S434 S435 R470S434-G437 PolarHBondContact O-N 3.3Å; S434-G437 WeakPolarHBondContact OG-CA 3.35Å; S434-G437 PolarHBondContact OG-N 2.81Å; S434-G437 VanDerWaalsContact OG-N 3.16Å; S435-G437 VanDerWaalsContact C-N 3.27Å; S435-G437 PolarHBondContact O-N 3.42Å; G437-R470 PolarHBondContact O-NH2 2.7Å
438Q89.5Confident93.6Very high129 Ų12919.7 Ų19.760%0.60311%0.105SC*.SBendtrans-90.2-19.4175.2-70.5-174-400114S434 S436 L468S434-Q438 PolarHBondContact OG-N 2.97Å; S436-Q438 VanDerWaalsContact C-N 3.33Å; S436-Q438 PolarHBondContact OG-N 2.89Å; Q438-L468 PolarHBondContact O-N 2.72Å
439F93.8Very high93.3Very high19 Ų1920.9 Ų20.98%0.08311%0.109CC..EExtended strand (participates in β ladder)trans-153.1159.417759.5-91000113.5I158 D162 V179 S434 V441 I465 I466I158-F439 HydrophobicContact CD1-CE2 4.13Å; I158-F439 HydrophobicContact CG2-CE2 4.38Å; I158-F439 HydrophobicContact CG2-CZ 4.35Å; D162-F439 HydrophobicContact CB-CE1 4.01Å; D162-F439 HydrophobicContact CB-CZ 3.98Å; D162-F439 WeakPolarHBondContact O-CZ 3.31Å; V179-F439 HydrophobicContact CG1-CE1 4.14Å; V179-F439 HydrophobicContact CG1-CE2 4.47Å; V179-F439 HydrophobicContact CG1-CZ 3.99Å; V179-F439 HydrophobicContact CG2-CE2 4.49Å; V179-F439 HydrophobicContact CG2-CZ 4.17Å; S434-F439 WeakPolarHBondContact CB-O 3.48Å; S434-F439 PolarHBondContact N-O 3.27Å; S434-F439 PolarHBondContact OG-N 2.84Å; S434-F439 PolarHBondContact OG-O 2.81Å; F439-V441 HydrophobicContact CD2-CG2 3.55Å; F439-V441 HydrophobicContact CE2-CG2 3.56Å; F439-I465 HydrophobicContact CB-CG2 4.3Å; F439-I465 HydrophobicContact CD2-CG2 4.03Å; F439-I465 HydrophobicContact CG-CG2 4.3Å; F439-I466 CarbonylContact C-O 3.58Å; F439-I466 VanDerWaalsContact CA-O 3.31Å; F439-I466 WeakPolarHBondContact CA-O 3.44Å; F439-I466 WeakPolarHBondContact CB-O 3.43Å
440L95.3Very high92.9Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-115.9133.7173.417560.8000108.8A396 V404 V406 L431 F433 I466 L468A396-L440 HydrophobicContact CB-CD1 4.46Å; A396-L440 HydrophobicContact CB-CD2 3.77Å; V404-L440 HydrophobicContact CG1-CD2 3.77Å; V406-L440 HydrophobicContact CG2-CD2 4.39Å; L431-L440 HydrophobicContact CB-CD1 4.45Å; L431-L440 HydrophobicContact CD2-CD1 4.16Å; L431-L440 HydrophobicContact CD2-CD2 4.48Å; L431-L440 HydrophobicContact CD2-CG 4.32Å; F433-L440 HydrophobicContact CD1-CB 4.18Å; F433-L440 HydrophobicContact CD1-CD1 4Å; F433-L440 HydrophobicContact CD2-CD1 4.05Å; F433-L440 HydrophobicContact CE1-CB 4.28Å; F433-L440 HydrophobicContact CE1-CD1 4.1Å; F433-L440 HydrophobicContact CE1-CD2 4.31Å; F433-L440 HydrophobicContact CE1-CG 4.48Å; F433-L440 HydrophobicContact CE2-CD1 4.14Å; F433-L440 HydrophobicContact CG-CD1 3.99Å; F433-L440 HydrophobicContact CZ-CD1 4.17Å; F433-L440 HydrophobicContact CZ-CD2 4.39Å; L440-I466 HydrophobicContact CB-CB 4.34Å; L440-I466 PolarHBondContact N-O 3.15Å; L440-I466 WeakPolarHBondContact O-CB 3.28Å; L440-I466 PolarHBondContact O-N 2.93Å; L440-L468 HydrophobicContact CB-CD1 4.04Å; L440-L468 HydrophobicContact CB-CG 4.41Å
441V96.3Very high92.5Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-111.6122.3179.8-168.40000109.6L156 I158 I165 L431 K432 F439 I463 I465L156-V441 HydrophobicContact CD1-CB 4.32Å; L156-V441 HydrophobicContact CD1-CG1 3.64Å; I158-V441 HydrophobicContact CD1-CB 4.13Å; I158-V441 HydrophobicContact CD1-CG2 3.51Å; I158-V441 HydrophobicContact CG1-CG2 4.04Å; I165-V441 HydrophobicContact CD1-CB 4.48Å; I165-V441 HydrophobicContact CD1-CG1 3.85Å; I165-V441 HydrophobicContact CD1-CG2 3.74Å; I165-V441 HydrophobicContact CG1-CG2 4.3Å; I165-V441 HydrophobicContact CG2-CG1 4.35Å; L431-V441 WeakPolarHBondContact CA-O 3.2Å; K432-V441 PolarHBondContact N-O 3.43Å; K432-V441 PolarHBondContact O-N 2.95Å; F439-V441 HydrophobicContact CD2-CG2 3.55Å; F439-V441 HydrophobicContact CE2-CG2 3.56Å; V441-I463 HydrophobicContact CG1-CG2 3.23Å; V441-I465 HydrophobicContact CG1-CG1 4.46Å
442A96.4Very high92.2Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-108.9127.1178.100000111.5V404 V424 I428 L431 V444 I463 Y464 I466V404-A442 HydrophobicContact CG2-CB 4.35Å; V424-A442 HydrophobicContact CG1-CB 4.42Å; I428-A442 HydrophobicContact CG2-CB 4.3Å; L431-A442 HydrophobicContact CD2-CB 3.59Å; A442-V444 HydrophobicContact CB-CG2 4.23Å; A442-I463 WeakPolarHBondContact O-CA 3.49Å; A442-Y464 PolarHBondContact N-O 2.98Å; A442-Y464 PolarHBondContact O-N 3.49Å; A442-I466 HydrophobicContact CB-CD1 4.31Å
443G95.8Very high91.9Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-99.3107.5178.900000110.2L156 N429 S430L156-G443 VanDerWaalsContact CD1-CA 3.44Å; N429-G443 PolarHBondContact N-O 2.84Å; S430-G443 PolarHBondContact N-O 2.94Å; S430-G443 PolarHBondContact O-N 2.94Å
444V95.6Very high91.5Very high0 Ų041 Ų410%019%0.19CC..EExtended strand (participates in β ladder)trans-114.6140.5-163.3-175.50000111.7V424 S425 F427 I428 A442 N461 G462 Y464V424-V444 HydrophobicContact CG1-CG2 3.5Å; V424-V444 VanDerWaalsContact CG1-CG2 3.5Å; S425-V444 WeakPolarHBondContact O-CG1 3.34Å; F427-V444 WeakPolarHBondContact O-CA 3.46Å; I428-V444 HydrophobicContact CG1-CG2 4.43Å; A442-V444 HydrophobicContact CB-CG2 4.23Å; V444-N461 WeakPolarHBondContact O-CA 3.44Å; V444-G462 PolarHBondContact N-O 2.89Å; V444-G462 PolarHBondContact O-N 2.79Å; V444-G462 VanDerWaalsContact O-N 3.13Å; V444-Y464 HydrophobicContact CB-CD2 3.83Å; V444-Y464 HydrophobicContact CB-CE2 3.66Å; V444-Y464 HydrophobicContact CG1-CE2 4.07Å; V444-Y464 HydrophobicContact CG2-CD2 3.41Å; V444-Y464 VanDerWaalsContact CG2-CD2 3.41Å; V444-Y464 HydrophobicContact CG2-CE2 3.72Å; V444-Y464 HydrophobicContact CG2-CG 4.28Å
445G93.6Very high91.3Very high0 Ų047.1 Ų47.10%021%0.213CC..EExtended strand (participates in β ladder)trans-135.5166.2178.900000114F427 E447 N461F427-G445 PolarHBondContact N-O 2.84Å; F427-G445 PolarHBondContact O-N 2.94Å; G445-E447 PolarHBondContact O-N 3.3Å; G445-N461 WeakPolarHBondContact CA-OD1 3.28Å
446Q93.7Very high91.4Very high34 Ų3447 Ų4716%0.15921%0.207CC..SBendtrans-72.8-14.8168.8-70.9-169.7-16.800113.8R455 L456 A459 N461Q446-R455 HydrophobicContact CB-CG 4.14Å; Q446-R455 CarbonylContact O-C 3.58Å; Q446-R455 VanDerWaalsContact O-CA 3.25Å; Q446-R455 WeakPolarHBondContact O-CA 3.32Å; Q446-R455 VanDerWaalsContact OE1-CZ 3.31Å; Q446-L456 WeakPolarHBondContact CB-O 3.35Å; Q446-L456 WeakPolarHBondContact CG-O 3.29Å; Q446-L456 PolarHBondContact O-N 3.1Å; Q446-A459 HydrophobicContact CG-CB 4.17Å; Q446-A459 VanDerWaalsContact CG-O 3.24Å; Q446-A459 WeakPolarHBondContact CG-O 3.29Å; Q446-A459 PolarHBondContact NE2-O 3.42Å; Q446-N461 PolarHBondContact N-OD1 2.82Å
447E93.6Very high91.4Very high23 Ų2353.3 Ų53.311%0.10723%0.228CC..SBendtrans-155.4161.8-173.253.5176.8-115.300109.8P152 K170 N429 G445 R452 W454P152-E447 HydrophobicContact CB-CG 4.27Å; P152-E447 HydrophobicContact CG-CG 3.38Å; K170-E447 IonicContact NZ-OE1 3.97Å; K170-E447 PolarHBondContact NZ-OE1 2.98Å; N429-E447 PolarHBondContact ND2-O 2.86Å; G445-E447 PolarHBondContact O-N 3.3Å; E447-R452 WeakPolarHBondContact OE2-CD 3.29Å; E447-R452 VanDerWaalsContact OE2-CG 3.25Å; E447-R452 WeakPolarHBondContact OE2-CG 3.27Å; E447-R452 IonicContact OE2-NE 3.09Å; E447-W454 VanDerWaalsContact CB-O 3.32Å; E447-W454 WeakPolarHBondContact CB-O 3.21Å
448H92.6Very high91.4Very high3 Ų361.5 Ų61.51%0.01427%0.266CS..  trans-66.5153.4-173.1-170.8-119.4000114.1K170 W382 F427 N429 L450 G451 W453K170-H448 WeakPolarHBondContact CE-O 3.21Å; K170-H448 PolarHBondContact NZ-O 3.04Å; W382-H448 AromaticContact CH2-CE1 3.41Å; W382-H448 VanDerWaalsContact CH2-CE1 3.41Å; W382-H448 WeakPolarHBondContact CH2-CE1 3.46Å; W382-H448 AromaticContact CH2-CG 3.97Å; W382-H448 AromaticContact CH2-ND1 3.31Å; W382-H448 VanDerWaalsContact CH2-ND1 3.31Å; W382-H448 WeakPolarHBondContact CH2-ND1 3.44Å; W382-H448 AromaticContact CZ2-CE1 3.31Å; W382-H448 WeakPolarHBondContact CZ2-CE1 3.49Å; W382-H448 AromaticContact CZ2-ND1 3.75Å; W382-H448 AromaticContact CZ2-NE2 3.88Å; W382-H448 AromaticContact CZ3-ND1 3.86Å; F427-H448 HydrophobicContact CD1-CB 3.86Å; F427-H448 HydrophobicContact CE1-CB 4.02Å; N429-H448 VanDerWaalsContact OD1-CA 3.3Å; N429-H448 WeakPolarHBondContact OD1-CA 3.36Å; N429-H448 PolarHBondContact OD1-CD2 3.28Å; H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 3.3Å; H448-G451 PolarHBondContact O-N 3.03Å; H448-W453 HydrophobicContact CB-CE3 4.38Å; H448-W453 HydrophobicContact CB-CZ3 4.46Å; H448-W453 AromaticContact ND1-CZ3 3.63Å
449R90.4Very high91.4Very high25 Ų2555.4 Ų55.49%0.09424%0.238CC..THydrogen-bonded Turntrans-56.4-40.6-176.968.1-171.5-178.8111.72.1114T154 K170 T291 D332 N429T154-R449 HydrophobicContact CG2-CB 4.22Å; K170-R449 VanDerWaalsContact CE-O 3.26Å; K170-R449 WeakPolarHBondContact CE-O 3.44Å; T291-R449 PolarHBondContact O-NH2 3.48Å; D332-R449 PolarHBondContact O-NH2 2.93Å; N429-R449 HydrophobicContact CB-CB 4.07Å; N429-R449 PolarHBondContact ND2-N 2.79Å; N429-R449 PolarHBondContact OD1-N 2.85Å
450L86.6Confident91.2Very high56 Ų5660 Ų6029%0.29326%0.258SS..THydrogen-bonded Turntrans-82.9-21.4-174.5-59.3-179.8000114.9H448 W453H448-L450 VanDerWaalsContact C-N 3.34Å; H448-L450 PolarHBondContact O-N 3.3Å; L450-W453 HydrophobicContact CB-CH2 3.81Å; L450-W453 HydrophobicContact CB-CZ3 4Å
451G87.2Confident91.1Very high16 Ų1661.1 Ų61.117%0.16526%0.264CS..  trans-172.1179.9-167.200000114K170 H448K170-G451 PolarHBondContact NZ-O 2.96Å; K170-G451 VanDerWaalsContact NZ-O 3.09Å; H448-G451 PolarHBondContact O-N 3.03Å
452R88.6Confident90.9Very high170 Ų17061.2 Ų61.264%0.64227%0.265SS*.  trans-121.165179.2-173.1-179.9163.4-176.4-11.9110.3E447E447-R452 WeakPolarHBondContact OE2-CD 3.29Å; E447-R452 VanDerWaalsContact OE2-CG 3.25Å; E447-R452 WeakPolarHBondContact OE2-CG 3.27Å; E447-R452 IonicContact OE2-NE 3.09Å
453W90.1Very high90.9Very high154 Ų15461.2 Ų61.258%0.58327%0.265SS*.SBendtrans-77.3-44.5174.2-60.5-69.2000111.5W382 H448 L450W382-W453 HydrophobicContact CH2-CE3 4.08Å; W382-W453 HydrophobicContact CH2-CH2 4.47Å; W382-W453 AromaticContact CH2-CZ3 3.68Å; W382-W453 HydrophobicContact CH2-CZ3 3.68Å; W382-W453 AromaticContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CE3 3.99Å; W382-W453 HydrophobicContact CZ3-CZ3 4.07Å; H448-W453 HydrophobicContact CB-CE3 4.38Å; H448-W453 HydrophobicContact CB-CZ3 4.46Å; H448-W453 AromaticContact ND1-CZ3 3.63Å; L450-W453 HydrophobicContact CB-CH2 3.81Å; L450-W453 HydrophobicContact CB-CZ3 4Å
454W88.1Confident90.8Very high120 Ų12061.9 Ų61.946%0.45527%0.267SS..  trans-127.4159.9174.6-58-58.7000110.6W382 F427 E447W382-W454 HydrophobicContact CE3-CZ3 4.08Å; W382-W454 HydrophobicContact CZ3-CZ3 4.5Å; F427-W454 HydrophobicContact CE1-CE3 4.38Å; F427-W454 HydrophobicContact CE2-CB 4.32Å; F427-W454 HydrophobicContact CZ-CB 3.93Å; F427-W454 HydrophobicContact CZ-CE3 4.08Å; E447-W454 VanDerWaalsContact CB-O 3.32Å; E447-W454 WeakPolarHBondContact CB-O 3.21Å
455R90.2Very high90.8Very high129 Ų12962.5 Ų62.549%0.48727%0.271SS..  trans-142.1111.6174.9-172.7-179.2176.4-165.61.9112Q446 K457Q446-R455 HydrophobicContact CB-CG 4.14Å; Q446-R455 CarbonylContact O-C 3.58Å; Q446-R455 VanDerWaalsContact O-CA 3.25Å; Q446-R455 WeakPolarHBondContact O-CA 3.32Å; Q446-R455 VanDerWaalsContact OE1-CZ 3.31Å; R455-K457 PolarHBondContact O-N 3.3Å
456L88.7Confident90.8Very high56 Ų5662.5 Ų62.529%0.29327%0.271SS..  trans-76.5114.7170.6-66.2170.2000108.9F427 Q446 A459F427-L456 HydrophobicContact CD2-CD1 3.83Å; F427-L456 HydrophobicContact CD2-CG 4.19Å; F427-L456 HydrophobicContact CE2-CD1 3.91Å; F427-L456 HydrophobicContact CE2-CG 3.92Å; Q446-L456 WeakPolarHBondContact CB-O 3.35Å; Q446-L456 WeakPolarHBondContact CG-O 3.29Å; Q446-L456 PolarHBondContact O-N 3.1Å; L456-A459 HydrophobicContact CB-CB 3.82Å
457K86.5Confident90.8Very high185 Ų18562.4 Ų62.480%0.80427%0.273SS*.SBendtrans-74.5-32.1-178.1-68.6177-178170.80113R455R455-K457 PolarHBondContact O-N 3.3Å
458E87.8Confident90.6Very high172 Ų17261.7 Ų61.780%0.80427%0.27SS*.SBendtrans-73.2-31.3-178.4-69.1155.3-148.100112.5
459A88.5Confident90.3Very high2 Ų266.7 Ų66.72%0.01729%0.291CS..  trans-60.8147.7178.700000112.3S425 G426 Q446 L456S425-A459 WeakPolarHBondContact O-CA 3.43Å; S425-A459 WeakPolarHBondContact O-CB 3.48Å; G426-A459 VanDerWaalsContact CA-CB 3.44Å; Q446-A459 HydrophobicContact CG-CB 4.17Å; Q446-A459 VanDerWaalsContact CG-O 3.24Å; Q446-A459 WeakPolarHBondContact CG-O 3.29Å; Q446-A459 PolarHBondContact NE2-O 3.42Å; L456-A459 HydrophobicContact CB-CB 3.82Å
460K89.4Confident90.1Very high114 Ų11470.4 Ų70.450%0.49631%0.305SS..  trans-126.2121-178.5-70.1166.9-171.5166.30109.3G462K460-G462 PolarHBondContact O-N 2.95Å
461N92.8Very high89.8Confident25 Ų2573.1 Ų73.113%0.13432%0.315CS..  trans-56122.2178.5-58.7-28.8000109.6K150 L151 V444 G445 Q446K150-N461 PolarHBondContact O-ND2 3.19Å; L151-N461 VanDerWaalsContact C-ND2 3.32Å; V444-N461 WeakPolarHBondContact O-CA 3.44Å; G445-N461 WeakPolarHBondContact CA-OD1 3.28Å; Q446-N461 PolarHBondContact N-OD1 2.82Å
462G93.2Very high88.9Confident1 Ų176.3 Ų76.31%0.0133%0.333CS..EExtended strand (participates in β ladder)trans171.5168.4-173.500000113.8L146 I153 V444 K460L146-G462 CarbonylContact O-C 3.19Å; L146-G462 VanDerWaalsContact O-CA 3.23Å; L146-G462 WeakPolarHBondContact O-CA 3.36Å; I153-G462 VanDerWaalsContact CD1-C 3.41Å; I153-G462 WeakPolarHBondContact CD1-O 3.28Å; V444-G462 PolarHBondContact N-O 2.89Å; V444-G462 PolarHBondContact O-N 2.79Å; V444-G462 VanDerWaalsContact O-N 3.13Å; K460-G462 PolarHBondContact O-N 2.95Å
463I95.1Very high87.3Confident0 Ų073.7 Ų73.70%034%0.341CS..EExtended strand (participates in β ladder)trans-97.4136.3175-49.2176.5000107.8V145 L146 I153 L156 I165 W177 V441 A442 I465V145-I463 CarbonylContact C-O 3.58Å; V145-I463 WeakPolarHBondContact CA-O 3.44Å; L146-I463 HydrophobicContact CB-CB 4.22Å; L146-I463 PolarHBondContact N-O 2.58Å; L146-I463 PolarHBondContact O-N 3Å; I153-I463 HydrophobicContact CD1-CB 4.49Å; I153-I463 HydrophobicContact CD1-CD1 4.49Å; I153-I463 HydrophobicContact CD1-CG1 3.46Å; I153-I463 VanDerWaalsContact CD1-CG1 3.46Å; L156-I463 HydrophobicContact CD1-CG2 4.34Å; L156-I463 HydrophobicContact CD2-CD1 4.17Å; L156-I463 HydrophobicContact CD2-CG1 4.19Å; I165-I463 HydrophobicContact CG2-CD1 4.12Å; W177-I463 HydrophobicContact CD2-CD1 4.28Å; W177-I463 HydrophobicContact CG-CD1 4.1Å; W177-I463 HydrophobicContact CZ2-CD1 4.43Å; W177-I463 VanDerWaalsContact NE1-CD1 3.28Å; V441-I463 HydrophobicContact CG1-CG2 3.23Å; A442-I463 WeakPolarHBondContact O-CA 3.49Å; I463-I465 HydrophobicContact CG2-CG1 4.4Å
464Y94.8Very high85.3Confident14 Ų1470.2 Ų70.26%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-114.7113.6174.1-65.8-113.3000107I143 V145 V424 A442 V444I143-Y464 HydrophobicContact CG2-CD1 4.05Å; V145-Y464 HydrophobicContact CB-CD1 4.42Å; V145-Y464 HydrophobicContact CB-CE1 4.31Å; V145-Y464 HydrophobicContact CG1-CD1 4.19Å; V145-Y464 HydrophobicContact CG1-CD2 4.35Å; V145-Y464 HydrophobicContact CG1-CE1 3.8Å; V145-Y464 HydrophobicContact CG1-CE2 3.97Å; V145-Y464 HydrophobicContact CG1-CG 4.43Å; V145-Y464 HydrophobicContact CG2-CD1 3.55Å; V145-Y464 HydrophobicContact CG2-CE1 3.51Å; V145-Y464 HydrophobicContact CG2-CG 4.33Å; V424-Y464 HydrophobicContact CG1-CD1 4.1Å; V424-Y464 HydrophobicContact CG1-CD2 4.18Å; V424-Y464 HydrophobicContact CG1-CG 3.94Å; A442-Y464 PolarHBondContact N-O 2.98Å; A442-Y464 PolarHBondContact O-N 3.49Å; V444-Y464 HydrophobicContact CB-CD2 3.83Å; V444-Y464 HydrophobicContact CB-CE2 3.66Å; V444-Y464 HydrophobicContact CG1-CE2 4.07Å; V444-Y464 HydrophobicContact CG2-CD2 3.41Å; V444-Y464 VanDerWaalsContact CG2-CD2 3.41Å; V444-Y464 HydrophobicContact CG2-CE2 3.72Å; V444-Y464 HydrophobicContact CG2-CG 4.28Å
465I95.1Very high83.4Confident14 Ų1469.4 Ų69.47%0.07234%0.344CS..EExtended strand (participates in β ladder)trans-93.1114.6173.9-57173.4000106.8I143 R144 L146 I165 F439 V441 I463I143-I465 WeakPolarHBondContact CA-O 3.31Å; R144-I465 HydrophobicContact CB-CB 4.36Å; R144-I465 PolarHBondContact N-O 3.18Å; R144-I465 PolarHBondContact O-N 3.38Å; L146-I465 HydrophobicContact CD1-CD1 3.79Å; L146-I465 HydrophobicContact CG-CD1 4.26Å; I165-I465 HydrophobicContact CD1-CD1 3.62Å; I165-I465 HydrophobicContact CD1-CG1 3.85Å; F439-I465 HydrophobicContact CB-CG2 4.3Å; F439-I465 HydrophobicContact CD2-CG2 4.03Å; F439-I465 HydrophobicContact CG-CG2 4.3Å; V441-I465 HydrophobicContact CG1-CG1 4.46Å; I463-I465 HydrophobicContact CG2-CG1 4.4Å
466I94.3Very high81.3Confident0 Ų070.2 Ų70.20%035%0.353CS..EExtended strand (participates in β ladder)trans-106.3108.9-174.7-58.3164.8000106.8P138 I143 V404 V422 V424 F439 L440 A442P138-I466 HydrophobicContact CB-CG2 4.2Å; P138-I466 HydrophobicContact CG-CG2 3.51Å; I143-I466 HydrophobicContact CG1-CG1 4.49Å; I143-I466 HydrophobicContact CG2-CG1 3.98Å; V404-I466 HydrophobicContact CG2-CD1 4.37Å; V422-I466 HydrophobicContact CG1-CD1 4.19Å; V422-I466 HydrophobicContact CG1-CG1 4.43Å; V422-I466 HydrophobicContact CG1-CG2 4.09Å; V422-I466 HydrophobicContact CG2-CG2 4.36Å; V424-I466 HydrophobicContact CG2-CD1 4.03Å; F439-I466 CarbonylContact C-O 3.58Å; F439-I466 VanDerWaalsContact CA-O 3.31Å; F439-I466 WeakPolarHBondContact CA-O 3.44Å; F439-I466 WeakPolarHBondContact CB-O 3.43Å; L440-I466 HydrophobicContact CB-CB 4.34Å; L440-I466 PolarHBondContact N-O 3.15Å; L440-I466 WeakPolarHBondContact O-CB 3.28Å; L440-I466 PolarHBondContact O-N 2.93Å; A442-I466 HydrophobicContact CB-CD1 4.31Å
467P92.4Very high79.1Confident32 Ų3273.1 Ų73.121%0.20837%0.365CS..EExtended strand (participates in β ladder)trans-65.9147.7177.127.2-32.4000110.8P138 E142P138-P467 HydrophobicContact CB-CG 4.39Å; P138-P467 WeakPolarHBondContact CB-O 3.48Å; E142-P467 HydrophobicContact CB-CG 3.75Å
468L90.1Very high76.9Confident8 Ų866.5 Ų66.54%0.04235%0.345CS..  trans-122.279.2178.8-67.1178000109.4L135 F420 F433 Q438 L440L135-L468 HydrophobicContact CD2-CB 4.14Å; F420-L468 HydrophobicContact CZ-CD2 4.37Å; F433-L468 HydrophobicContact CD1-CD1 3.68Å; F433-L468 HydrophobicContact CE1-CD1 3.65Å; Q438-L468 PolarHBondContact O-N 2.72Å; L440-L468 HydrophobicContact CB-CD1 4.04Å; L440-L468 HydrophobicContact CB-CG 4.41Å
469K87.1Confident74.7Confident107 Ų10766.8 Ų66.847%0.46534%0.343SS..PPolyproline II helixtrans-66.3136.2176.3-69.2176.9174.3173.60110.1L136 E142L136-K469 HydrophobicContact CB-CB 4.5Å; L136-K469 HydrophobicContact CD1-CB 4.45Å; L136-K469 PolarHBondContact N-O 3.05Å; E142-K469 IonicContact OE1-NZ 2.74Å; E142-K469 PolarHBondContact OE1-NZ 3.38Å; E142-K469 WeakPolarHBondContact OE2-CE 3.01Å; E142-K469 IonicContact OE2-NZ 2.61Å; E142-K469 PolarHBondContact OE2-NZ 3.46Å
470R85.9Confident72.4Confident103 Ų10375.1 Ų75.139%0.38938%0.382SS..BIsolated β-bridgetrans-102147.1170.8-60.8175.8-164.1168.18.7108.8I131 D134 L135 S436 G437I131-R470 HydrophobicContact CG2-CG 4.37Å; D134-R470 CarbonylContact O-C 3.51Å; D134-R470 WeakPolarHBondContact O-CA 3.39Å; L135-R470 HydrophobicContact CD2-CG 4.11Å; S436-R470 PolarHBondContact O-NH2 2.77Å; G437-R470 PolarHBondContact O-NH2 2.7Å
471K79.4Confident69.9Low113 Ų11375.5 Ų75.549%0.49139%0.394SS..PPolyproline II helixtrans-63.1140.4161.8-65.1173.2-174.8168.80108.5D134 L136 S473D134-K471 PolarHBondContact O-N 2.92Å; L136-K471 HydrophobicContact CD1-CG 4.26Å; L136-K471 HydrophobicContact CD2-CD 4.4Å; L136-K471 HydrophobicContact CD2-CG 3.97Å; L136-K471 HydrophobicContact CG-CG 4.04Å; K471-S473 PolarHBondContact O-N 3.16Å
472P69.3Low67.2Low83 Ų8386.2 Ų86.254%0.53944%0.443SS..PPolyproline II helixtrans-61.9134167.927.6-33.1000108.7N474P472-N474 PolarHBondContact O-N 3.46Å
473S55.3Low65.9Low116 Ų11690.5 Ų90.581%0.81147%0.465SS*.SBendtrans-71.7-17.5179.145.20000112.7K471K471-S473 PolarHBondContact O-N 3.16Å
474N48Very low64.4Low80 Ų8095.2 Ų95.243%0.42849%0.489SS..SBendtrans-131.9125.7-177.5-148.811.7000110.3P472 E476P472-N474 PolarHBondContact O-N 3.46Å; N474-E476 PolarHBondContact O-N 3.46Å; N474-E476 VanDerWaalsContact O-N 3.17Å
475P48.1Very low62.7Low104 Ų10499.7 Ų99.768%0.67551%0.513SS*.THydrogen-bonded Turntrans-73.1-4.2-174.529.5-36.1000114.6
476E46.1Very low60.8Low146 Ų146104.8 Ų104.868%0.68254%0.539SS*.THydrogen-bonded Turntrans-86.6-32.8179.5-59.1-164.3132.200113.1N474 A478 K479N474-E476 PolarHBondContact O-N 3.46Å; N474-E476 VanDerWaalsContact O-N 3.17Å; E476-A478 PolarHBondContact O-N 3.06Å; E476-K479 PolarHBondContact O-N 3.15Å; E476-K479 VanDerWaalsContact O-N 3.15Å
477E41.8Very low58.7Low117 Ų117111.3 Ų111.355%0.54757%0.573SS.*G310 helixtrans-63.8-30.2176.9-64.5-176.9140.200112.1K479 Q480E477-K479 PolarHBondContact O-N 3.49Å; E477-K479 VanDerWaalsContact O-N 3.1Å; E477-Q480 PolarHBondContact O-N 3.18Å; E477-Q480 VanDerWaalsContact O-N 3.11Å
478A40.8Very low56.5Low45 Ų45116.6 Ų116.637%0.37260%0.597SS.*G310 helixtrans-59.6-21.3176.700000113.5E476E476-A478 PolarHBondContact O-N 3.06Å
479K41Very low54.1Low179 Ų179124.4 Ų124.478%0.77864%0.637SS**G310 helixtrans-85.5-0.1178.6-70.9-178.4174175.50114.8E476 E477E476-K479 PolarHBondContact O-N 3.15Å; E476-K479 VanDerWaalsContact O-N 3.15Å; E477-K479 PolarHBondContact O-N 3.49Å; E477-K479 VanDerWaalsContact O-N 3.1Å
480Q40.1Very low51.5Low176 Ų176125.7 Ų125.782%0.82265%0.65SS**G310 helixtrans-108.110176.9-61-170.18.400113.2E477E477-Q480 PolarHBondContact O-N 3.18Å; E477-Q480 VanDerWaalsContact O-N 3.11Å
481T38.2Very low48.7Very low123 Ų123127.6 Ų127.676%0.75567%0.672SS**  trans-134.719.5-175.143.50000114.4
482E36Very low45.9Very low249 Ų249128.9 Ų128.9100%1.16469%0.688SS**  trans-99.50164.3-66.6-168.814100111.3

Retrieved 482 of 482 residues in 731.1 ms (Link to these results)