A0A087YIJ3_POEFO Loading...

Zona pellucida sperm-binding protein 3

Component of the zona pellucida, an extracellular matrix surrounding oocytes which mediates sperm binding, induction of the acrosome reaction and prevents post-fertilization polyspermy. The zona pellucida is composed of 3 to 4 glycoproteins, ZP1, ZP2, ZP3, and ZP4. ZP3 is essential for sperm binding and zona matrix formation.

AlphaFold DB , UniProt , Accession A0A087YIJ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 425 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low37.7Very low225 Ų225137.8 Ų137.8100%1.10876%0.763SS**  0144.50-81.914856.400108.7
2I34.1Very low37.3Very low144 Ų144137.3 Ų137.374%0.73877%0.766SS**  trans58.3100148-63.7170.2000116.1
3V38.3Very low36.9Very low120 Ų120137.3 Ų137.373%0.72776%0.762SS**  89.3134.280.9136.90000112.4
4K41.4Very low36.8Very low173 Ų173136 Ų13675%0.75276%0.759SS**  cis-146.9155.75.9-102.8161.9-174.1-1800109.6
5L41.3Very low36.6Very low145 Ų145133.3 Ų133.376%0.75975%0.753SS**  64.2126.465.5-116.8170.3000111.4
6I45.4Very low36.3Very low144 Ų144137.8 Ų137.874%0.73876%0.762SS**  cis-134.8-154.932.4-20.8178.5000110.9I8I6-I8 HydrophobicContact CG2-CD1 3.79Å
7A40.9Very low36.2Very low87 Ų87133.9 Ų133.972%0.71976%0.761SS**  cis-165.7-172.71.500000109.6
8I39.8Very low36.2Very low140 Ų140132.4 Ų132.472%0.71876%0.76SS**  -170.1154.2-69-99.6166.9000111.4I6I6-I8 HydrophobicContact CG2-CD1 3.79Å
9C31.3Very low36.1Very low113 Ų113136.3 Ų136.376%0.76477%0.768SS**  trans73.9153.6164.9-82.40000121.4
10V34.3Very low36Very low120 Ų120135 Ų13573%0.72777%0.767SS**  cis-170.6144.5-26119.60000112.2
11V33.9Very low35.9Very low105 Ų105135.7 Ų135.764%0.63677%0.768SS**  trans23.8137.8148.6-161.40000120.8L13V11-L13 HydrophobicContact CG1-CD1 4.12Å
12V32.3Very low35.7Very low132 Ų132129 Ų12980%0.875%0.749SS**  -178.3144.788.1164.80000107.4
13L32.4Very low35.9Very low137 Ų137128.6 Ų128.672%0.71775%0.753SS**  cis117.9137.113.7-107.8174.4000113V11V11-L13 HydrophobicContact CG1-CD1 4.12Å
14V35.6Very low36.2Very low119 Ų119129.1 Ų129.172%0.72176%0.759SS**  trans72.6147.4165.2-177.40000115.5
15S33.3Very low35.9Very low96 Ų96124 Ų12467%0.67176%0.756SS**  cis-139.1149.110.59.50000111.6
16F32.5Very low35.7Very low205 Ų205125.3 Ų125.390%0.89976%0.761SS**  46.6133.390.3-66.3-82.7000116.2
17G33.9Very low35.7Very low72 Ų72124.4 Ų124.474%0.74277%0.765SS**  cis-175.7-173.11.800000114.5
18S36.5Very low35.7Very low107 Ų107125.3 Ų125.375%0.74877%0.766SS**  trans-69.8164.7-177.2-420000114.4
19F33.6Very low35.9Very low206 Ų206124.5 Ų124.590%0.90477%0.77SS**  -175.8158.2107-100.3-68.4000113.5
20C34.7Very low36.7Very low110 Ų110124.5 Ų124.574%0.74377%0.769SS**  trans-86.8-176.6168.6-45.40000109.2
21D33.5Very low36.8Very low150 Ų150128.4 Ų128.480%0.80278%0.776SS**  cis-164.2176.65.9-145.1-35.4000110.5
22A31.6Very low36.9Very low85 Ų85132.6 Ų132.670%0.70279%0.789SS**  trans69.6158.2147.200000123
23T38.4Very low37.8Very low134 Ų134131.5 Ų131.582%0.82278%0.784SS**  trans-98.6-174.8178.350.50000110.2
24P43.8Very low37.7Very low132 Ų132132.2 Ų132.286%0.85779%0.788SS**  cis-133.9-153.214.542-19.9000114.4
25G34.9Very low37.7Very low66 Ų66134.9 Ų134.968%0.6879%0.793SS**  trans-161-164.3-176.600000116.6
26I37.5Very low38.1Very low171 Ų171138.5 Ų138.588%0.87780%0.799SS**  trans72.2124.7178.1-59.5177.7000112.9
27P45.5Very low38.5Very low125 Ų125134.5 Ų134.581%0.81280%0.796SS**  -144.6-177.860.239.5-19000118
28S39.5Very low38.9Very low107 Ų107138.5 Ų138.575%0.74880%0.795SS**  trans-111.5165.6176.258.70000113
29P45.8Very low39Very low122 Ų122142.5 Ų142.579%0.79280%0.802SS**  trans-141.7-155.4131.442.6-26.1000112.3
30P47.1Very low39.7Very low114 Ų114140.7 Ų140.774%0.7480%0.796SS**  -133.1163.3-102.139.2-19.2000119.1
31K37.2Very low40.4Very low201 Ų201142.5 Ų142.587%0.87480%0.797SS**  trans-2140158.9-58.7175.7178.9177.40120.9
32Q36Very low41Very low194 Ų194142.5 Ų142.591%0.90779%0.793SS**  -161.6165.7109.6-103.5-175.66.600112
33P50.2Low41.9Very low109 Ų109144.1 Ų144.171%0.70879%0.794SS**  trans-117.7169.1-161.942.4-34.3000116
34L29.7Very low42.5Very low152 Ų152144.5 Ų144.580%0.79679%0.785SS**  -177141129-103.9162000115.7
35Q36.9Very low43.2Very low175 Ų175147.6 Ų147.682%0.81879%0.788SS**  trans69.5151.5143.4-140.7151.72.200121.8
36Q41.3Very low44.3Very low171 Ų171153 Ų15380%0.79979%0.793SS**  trans-101.1152-174.5-62.5162.1-68.600112.2
37S40.8Very low45.2Very low121 Ų121153.1 Ų153.185%0.84679%0.789SS**  trans-126.7146.2156.4570000109.6
38H41.9Very low45.8Very low157 Ų157154 Ų15473%0.72779%0.786SS**  trans-103.2155.2-173-99.6-117.9000112.5
39Q40Very low46.7Very low190 Ų190155 Ų15589%0.88879%0.788SS**  trans69.5140.4171.3-60.5168.19.800113.7
40H47.9Very low47.5Very low169 Ų169158.1 Ų158.178%0.78278%0.784SS**  cis-131.9151.938.1-179.185.8000113.3
41L48.1Very low48.5Very low147 Ų147161.5 Ų161.577%0.7779%0.787SS**  trans-81.2115.5174-130.580000109.2T43L41-T43 PolarHBondContact O-N 2.79Å
42Q47.9Very low50.1Low151 Ų151160.2 Ų160.271%0.70678%0.778SS**  trans-78.1100.6166.9-79.4-173.9-3100109.6F44Q42-F44 HydrophobicContact CB-CD2 4.18Å; Q42-F44 HydrophobicContact CB-CE2 3.67Å; Q42-F44 HydrophobicContact CB-CZ 4.29Å; Q42-F44 WeakPolarHBondContact O-CD2 3.35Å; Q42-F44 PolarHBondContact O-N 3.38Å
43T48.9Very low51.9Low119 Ų119155.4 Ų155.473%0.7376%0.764SS**  trans-71.9101.5167.7-4.20000109.1L41 E45L41-T43 PolarHBondContact O-N 2.79Å; T43-E45 PolarHBondContact O-N 3.24Å
44F52.2Low52.9Low141 Ų141157.6 Ų157.662%0.61877%0.769SS**  trans-77.698.7171.7-72.8-91.8000109.3Q42 K46Q42-F44 HydrophobicContact CB-CD2 4.18Å; Q42-F44 HydrophobicContact CB-CE2 3.67Å; Q42-F44 HydrophobicContact CB-CZ 4.29Å; Q42-F44 WeakPolarHBondContact O-CD2 3.35Å; Q42-F44 PolarHBondContact O-N 3.38Å; F44-K46 PolarHBondContact O-N 3.44Å
45E57.4Low55.1Low198 Ų198157 Ų15793%0.92577%0.767SS**SBendtrans-70.622.8179.9-60.6-170.413400114.3T43T43-E45 PolarHBondContact O-N 3.24Å
46K58.1Low56.8Low180 Ų180154.2 Ų154.278%0.78376%0.764SS**SBendtrans-147.1122.1173.2-161.2169.6-173.8176.20108.9F44 L48F44-K46 PolarHBondContact O-N 3.44Å; K46-L48 PolarHBondContact O-N 2.76Å
47E57.4Low58.2Low172 Ų172154.4 Ų154.480%0.80477%0.765SS**  trans-56.1128.3178.3-171.8173.8-173.200110.3T49E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.46Å
48L57.8Low59.7Low144 Ų144154 Ų15475%0.75476%0.759SS**  trans-74.886.7178.9-75170.1000109K46 W50K46-L48 PolarHBondContact O-N 2.76Å; L48-W50 PolarHBondContact O-N 3.12Å
49T59Low61.4Low127 Ų127153.5 Ų153.578%0.77976%0.762SS**  trans-72.651.517660.10000112E47E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.46Å
50W61.1Low62.9Low189 Ų189150.1 Ų150.172%0.71676%0.757SS**PPolyproline II helixtrans-81.5116.3170.2-171.784.8000108.8L48 Y52L48-W50 PolarHBondContact O-N 3.12Å; W50-Y52 AromaticContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CE2 4.36Å; W50-Y52 HydrophobicContact CH2-CG 4.31Å; W50-Y52 HydrophobicContact CZ3-CD2 4.16Å
51K69.2Low63.9Low184 Ų184151.3 Ų151.380%0.876%0.76SS**PPolyproline II helixtrans-99.4150161.3-71-171.1174.7-1730108.6
52Y70.4Confident65Low174 Ų174149.4 Ų149.468%0.68276%0.756SS**PPolyproline II helixtrans-55.4138.3164.5-155.4-93.1000108.4W50 D54W50-Y52 AromaticContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CD2 3.62Å; W50-Y52 HydrophobicContact CH2-CE2 4.36Å; W50-Y52 HydrophobicContact CH2-CG 4.31Å; W50-Y52 HydrophobicContact CZ3-CD2 4.16Å; Y52-D54 PolarHBondContact O-N 3.14Å
53P73.2Confident66Low93 Ų93149.7 Ų149.760%0.60476%0.763SS**PPolyproline II helixtrans-56.9130.2173.3-21.933000109.5D55P53-D55 PolarHBondContact O-N 2.67Å
54D72.6Confident66.9Low155 Ų155149.1 Ų149.183%0.82976%0.759SS**PPolyproline II helixtrans-55.6141.2175-61.1-70.1000109.7Y52Y52-D54 PolarHBondContact O-N 3.14Å
55D75.4Confident67.1Low139 Ų139151.2 Ų151.274%0.74377%0.77SS**PPolyproline II helixtrans-49.8132.2179.9-79-48.7000109.8P53 Q57P53-D55 PolarHBondContact O-N 2.67Å; D55-Q57 PolarHBondContact O-N 2.91Å
56P71.5Confident67.4Low118 Ų118149.5 Ų149.577%0.76676%0.76SS**  trans-56.5115.7-172.322-32.8000109.3P58P56-P58 VanDerWaalsContact O-N 3.09Å
57Q71.6Confident67.5Low174 Ų174148.7 Ų148.781%0.81376%0.759SS**  trans-48.4120.8176.4-76.4-77.4-73.500107.8D55 D59D55-Q57 PolarHBondContact O-N 2.91Å; Q57-D59 PolarHBondContact O-N 3.44Å
58P72.4Confident66.8Low112 Ų112144.8 Ų144.873%0.72774%0.744SS**  trans-59.1128.4-177.523.9-33.2000108.2P56P56-P58 VanDerWaalsContact O-N 3.09Å
59D76.8Confident66.5Low147 Ų147148.9 Ų148.979%0.78675%0.749SS**  trans-44.2129.6-171.3-75.2-62.4000110.7Q57 K61Q57-D59 PolarHBondContact O-N 3.44Å; D59-K61 PolarHBondContact O-N 2.89Å
60P71.7Confident66.1Low120 Ų120151.7 Ų151.778%0.77975%0.747SS**  trans-59.2106.5-172.623.1-33.3000108.5
61K68.6Low65.7Low193 Ų193147.5 Ų147.584%0.83974%0.744SS**  trans-47.9120.6-172.9-70.8-179.1178.8177.90108.2D59 N63D59-K61 PolarHBondContact O-N 2.89Å; K61-N63 PolarHBondContact O-N 2.85Å
62P72.8Confident64.7Low108 Ų108141.7 Ų141.770%0.70174%0.736SS**  trans-56.6131.6-174.921.7-32.5000108.4V64P62-V64 HydrophobicContact CB-CG2 4.45Å; P62-V64 HydrophobicContact CG-CG2 4.41Å; P62-V64 PolarHBondContact O-N 3.42Å
63N68.1Low64.1Low157 Ų157139.8 Ų139.884%0.8474%0.743SS**  trans-7470.3-179.9-171.614000109.8K61 Q65K61-N63 PolarHBondContact O-N 2.85Å; N63-Q65 PolarHBondContact O-N 3.19Å
64V68.5Low63.4Low107 Ų107136.8 Ų136.865%0.64872%0.722SS**  trans-64.6121170.6-179.60000106.8P62 F66P62-V64 HydrophobicContact CB-CG2 4.45Å; P62-V64 HydrophobicContact CG-CG2 4.41Å; P62-V64 PolarHBondContact O-N 3.42Å; V64-F66 PolarHBondContact O-N 2.88Å
65Q56.7Low62.8Low184 Ų184132 Ų13286%0.8670%0.7SS**  trans-66.684.4170.1-73.8-177.9-34.900109.3N63 E67N63-Q65 PolarHBondContact O-N 3.19Å; Q65-E67 PolarHBondContact O-N 3Å
66F62.3Low62.1Low163 Ų163129.9 Ų129.972%0.71570%0.702SS**  trans-77.479.1172.6176.8-116.6000109.2V64 L68V64-F66 PolarHBondContact O-N 2.88Å; F66-L68 HydrophobicContact CE1-CB 4.02Å; F66-L68 HydrophobicContact CE1-CD1 3.96Å; F66-L68 HydrophobicContact CE1-CG 3.83Å; F66-L68 HydrophobicContact CZ-CB 4.27Å; F66-L68 HydrophobicContact CZ-CD1 4.42Å; F66-L68 HydrophobicContact CZ-CG 3.9Å; F66-L68 PolarHBondContact O-N 2.85Å; F66-L68 VanDerWaalsContact O-N 3.12Å
67E59.7Low62Low162 Ų162127.9 Ų127.976%0.75770%0.695SS**  trans-64107.6164.9-162.670.4-128.900107.7Q65 R69Q65-E67 PolarHBondContact O-N 3Å; E67-R69 VanDerWaalsContact C-N 3.33Å; E67-R69 PolarHBondContact O-N 2.93Å
68L43.9Very low62.6Low91 Ų91120.1 Ų120.148%0.47666%0.66SS.*  trans-7390.4-176.9-159.5165.6000108.2F66 Y70F66-L68 HydrophobicContact CE1-CB 4.02Å; F66-L68 HydrophobicContact CE1-CD1 3.96Å; F66-L68 HydrophobicContact CE1-CG 3.83Å; F66-L68 HydrophobicContact CZ-CB 4.27Å; F66-L68 HydrophobicContact CZ-CD1 4.42Å; F66-L68 HydrophobicContact CZ-CG 3.9Å; F66-L68 PolarHBondContact O-N 2.85Å; F66-L68 VanDerWaalsContact O-N 3.12Å; L68-Y70 WeakPolarHBondContact O-CD2 3.37Å; L68-Y70 WeakPolarHBondContact O-CE2 3.18Å; L68-Y70 PolarHBondContact O-N 3.35Å
69R50.4Low63.4Low229 Ų229115.9 Ų115.986%0.86463%0.632SS**  trans-62.994.8177.6-70.6-169.3-178.6-166.11.3110.2E67E67-R69 VanDerWaalsContact C-N 3.33Å; E67-R69 PolarHBondContact O-N 2.93Å
70Y51.2Low64.1Low187 Ų187111.5 Ų111.573%0.73362%0.616SS**PPolyproline II helixtrans-52138.2163.5-63.9-87000109.2L68 G72L68-Y70 WeakPolarHBondContact O-CD2 3.37Å; L68-Y70 WeakPolarHBondContact O-CE2 3.18Å; L68-Y70 PolarHBondContact O-N 3.35Å; Y70-G72 PolarHBondContact O-N 3.24Å
71P52.3Low65Low100 Ų100108.7 Ų108.765%0.64960%0.597SS**PPolyproline II helixtrans-56.9132.3171.325.6-33.1000108.4
72G49.6Very low66.3Low62 Ų62102.9 Ų102.964%0.63957%0.574SS**PPolyproline II helixtrans-59.6148.2-170.300000112.5Y70 V74Y70-G72 PolarHBondContact O-N 3.24Å; G72-V74 PolarHBondContact O-N 2.86Å
73T56.1Low67.3Low135 Ų135100 Ų10083%0.82856%0.557SS**  trans-44.7134.616248.10000110P75T73-P75 VanDerWaalsContact O-N 3.12Å
74V58.7Low68.5Low29 Ų2996.4 Ų96.418%0.17653%0.531CS..  trans-42119.9175.9168.40000109.6G72 A76 T78 L96 F97 A169 V171G72-V74 PolarHBondContact O-N 2.86Å; V74-A76 PolarHBondContact O-N 2.94Å; V74-T78 VanDerWaalsContact CG1-OG1 3.26Å; V74-T78 WeakPolarHBondContact CG1-OG1 3.42Å; V74-L96 HydrophobicContact CG1-CD1 3.83Å; V74-L96 HydrophobicContact CG1-CG 4.18Å; V74-L96 WeakPolarHBondContact CG1-O 3.31Å; V74-L96 HydrophobicContact CG2-CG 4.42Å; V74-F97 HydrophobicContact CG2-CD1 4.2Å; V74-F97 HydrophobicContact CG2-CE1 3.87Å; V74-A169 HydrophobicContact CG2-CB 4.01Å; V74-V171 HydrophobicContact CB-CG2 3.84Å; V74-V171 HydrophobicContact CG1-CG2 3.71Å; V74-V171 HydrophobicContact CG2-CG2 3.93Å
75P61.3Low69.6Low54 Ų54100 Ų10035%0.35154%0.541SS..  trans-64.7129.5-172.7-20.230.9000110.1T73 A77 T78T73-P75 VanDerWaalsContact O-N 3.12Å; P75-A77 PolarHBondContact O-N 2.86Å; P75-T78 HydrophobicContact CB-CG2 4.18Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CB 3.05Å; P75-T78 PolarHBondContact O-N 3.13Å; P75-T78 PolarHBondContact O-OG1 3.19Å
76A60.2Low71.2Confident95 Ų9594.2 Ų94.279%0.78552%0.524SS*.G310 helixtrans-56.5-18.8-177.800000114.1V74 T78V74-A76 PolarHBondContact O-N 2.94Å; A76-T78 PolarHBondContact O-N 3.49Å
77A68.4Low72.7Confident77 Ų7788.3 Ų88.364%0.63650%0.502SS*.G310 helixtrans-78.15.4173.100000115P75 K93P75-A77 PolarHBondContact O-N 2.86Å; A77-K93 PolarHBondContact O-NZ 2.82Å
78T84.1Confident74.3Confident10 Ų1080.6 Ų80.66%0.06147%0.466CS..G310 helixtrans-102-17.5178.361.20000114.1V74 P75 A76 K93 L96V74-T78 VanDerWaalsContact CG1-OG1 3.26Å; V74-T78 WeakPolarHBondContact CG1-OG1 3.42Å; P75-T78 HydrophobicContact CB-CG2 4.18Å; P75-T78 HydrophobicContact CG-CG2 4.29Å; P75-T78 WeakPolarHBondContact O-CB 3.05Å; P75-T78 PolarHBondContact O-N 3.13Å; P75-T78 PolarHBondContact O-OG1 3.19Å; A76-T78 PolarHBondContact O-N 3.49Å; T78-K93 PolarHBondContact O-N 2.75Å; T78-L96 PolarHBondContact OG1-O 3.01Å
79V89.4Confident76.7Confident24 Ų2477.3 Ų77.315%0.14545%0.448CS..EExtended strand (participates in β ladder)trans-127.1124.1177.7-176.70000109V90 E91 A92 L96 L151 V171 V173V79-V90 HydrophobicContact CG1-CG1 3.79Å; V79-E91 CarbonylContact C-O 3.58Å; V79-E91 VanDerWaalsContact CA-O 3.31Å; V79-E91 WeakPolarHBondContact CA-O 3.39Å; V79-A92 HydrophobicContact CG2-CB 4.27Å; V79-L96 HydrophobicContact CG2-CD1 3.88Å; V79-L151 HydrophobicContact CG1-CD2 3.99Å; V79-L151 HydrophobicContact CG2-CD2 3.85Å; V79-V171 HydrophobicContact CG2-CG1 4.34Å; V79-V173 HydrophobicContact CG1-CG2 4.26Å
80A91.1Very high78.8Confident54 Ų5466.4 Ų66.445%0.44641%0.407SS..EExtended strand (participates in β ladder)trans-110.8152.1173.200000110.3V90 E91A80-V90 WeakPolarHBondContact O-CA 3.23Å; A80-E91 HydrophobicContact CB-CB 4.41Å; A80-E91 PolarHBondContact N-O 3.17Å; A80-E91 PolarHBondContact O-N 2.91Å
81V92.6Very high80.8Confident62 Ų6261 Ų6138%0.37639%0.388SS..EExtended strand (participates in β ladder)trans-138.7125.6-173.9-172.70000109.1V90 V173V81-V90 HydrophobicContact CG1-CG2 4.48Å; V81-V173 HydrophobicContact CG1-CG1 3.89Å; V81-V173 HydrophobicContact CG2-CB 4.48Å; V81-V173 HydrophobicContact CG2-CG1 3.79Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å
82D94.4Very high82.7Confident70 Ų7056.3 Ų56.337%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-116.9128.2172.5169.834.7000108.8R84 H89D82-R84 IonicContact OD2-CZ 3.65Å; D82-R84 VanDerWaalsContact OD2-CZ 3.24Å; D82-R84 IonicContact OD2-NE 3.75Å; D82-R84 PolarHBondContact OD2-NE 2.83Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 3.17Å; D82-H89 HydrophobicContact CB-CB 4.1Å; D82-H89 PolarHBondContact N-O 2.88Å; D82-H89 PolarHBondContact O-N 2.86Å
83C94.3Very high84.6Confident49 Ų4958 Ų5833%0.33135%0.348SS..EExtended strand (participates in β ladder)trans-116.387.3-165.6-66.90000109.9C175 Y177C83-C175 HydrophobicContact CB-CB 3.75Å; C83-C175 WeakPolarHBondContact CB-SG 3.41Å; C83-C175 WeakPolarHBondContact SG-CA 3.48Å; C83-C175 WeakPolarHBondContact SG-CB 3.36Å; C83-C175 CovalentContact SG-SG 2.04Å; C83-C175 PolarHBondContact SG-SG 3.48Å; C83-Y177 VanDerWaalsContact C-OH 3.32Å; C83-Y177 WeakPolarHBondContact CA-OH 3.41Å; C83-Y177 HydrophobicContact CB-CE1 4.41Å; C83-Y177 WeakPolarHBondContact CB-OH 3.38Å
84R93.5Very high86.2Confident81 Ų8152.6 Ų52.631%0.30631%0.313SS..  trans-88170-176.5-50.7-176-170.1138.814.8111.4D82 A86 V87 H89 E128 Y177D82-R84 IonicContact OD2-CZ 3.65Å; D82-R84 VanDerWaalsContact OD2-CZ 3.24Å; D82-R84 IonicContact OD2-NE 3.75Å; D82-R84 PolarHBondContact OD2-NE 2.83Å; D82-R84 IonicContact OD2-NH2 2.78Å; D82-R84 PolarHBondContact OD2-NH2 3.17Å; R84-A86 PolarHBondContact O-N 3.46Å; R84-V87 WeakPolarHBondContact CA-O 3.45Å; R84-V87 WeakPolarHBondContact CB-O 3.43Å; R84-V87 PolarHBondContact N-O 3.2Å; R84-V87 PolarHBondContact O-N 3.05Å; R84-H89 VanDerWaalsContact NH2-CB 3.34Å; R84-H89 PolarHBondContact NH2-ND1 3.12Å; R84-E128 IonicContact CZ-OE1 3.69Å; R84-E128 IonicContact NH1-OE1 3.73Å; R84-E128 PolarHBondContact NH1-OE1 3.13Å; R84-Y177 PolarHBondContact O-OH 3.21Å
85E90.6Very high87.5Confident182 Ų18253.3 Ų53.385%0.8532%0.316SS*.SBendtrans-55.5-28.2-167.1-5891.4153.200114.9
86A90.9Very high88.5Confident62 Ų6250.8 Ų50.851%0.51230%0.299SS..SBendtrans-138.50.5177.300000114.2R84 E130 L131R84-A86 PolarHBondContact O-N 3.46Å; A86-E130 WeakPolarHBondContact O-CA 3.49Å; A86-L131 PolarHBondContact O-N 2.03Å; A86-L131 VanDerWaalsContact O-N 3.08Å
87V93.3Very high89.6Confident40 Ų4048.3 Ų48.324%0.24227%0.271CS..EExtended strand (participates in β ladder)trans-139.9131.2-168.5176.80000110.3R84 E128 V129R84-V87 WeakPolarHBondContact CA-O 3.45Å; R84-V87 WeakPolarHBondContact CB-O 3.43Å; R84-V87 PolarHBondContact N-O 3.2Å; R84-V87 PolarHBondContact O-N 3.05Å; V87-E128 HydrophobicContact CG1-CB 4.22Å; V87-V129 CarbonylContact C-O 3.5Å; V87-V129 WeakPolarHBondContact CA-O 3.42Å
88A93.8Very high90.1Very high0 Ų047.1 Ų47.10%027%0.266CS..EExtended strand (participates in β ladder)trans-88.7125.8162.800000109.2V129 L131 Y149A88-V129 HydrophobicContact CB-CG2 4.2Å; A88-V129 PolarHBondContact N-O 2.78Å; A88-V129 PolarHBondContact O-N 2.8Å; A88-L131 HydrophobicContact CB-CD2 4.24Å; A88-Y149 HydrophobicContact CB-CE2 3.91Å
89H94.8Very high89.9Confident21 Ų2151.7 Ų51.710%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-105.7113173172.4103.4000107.9D82 R84 E91 Y127 E128D82-H89 HydrophobicContact CB-CB 4.1Å; D82-H89 PolarHBondContact N-O 2.88Å; D82-H89 PolarHBondContact O-N 2.86Å; R84-H89 VanDerWaalsContact NH2-CB 3.34Å; R84-H89 PolarHBondContact NH2-ND1 3.12Å; H89-E91 IonicContact CD2-OE1 3.47Å; H89-E91 IonicContact CE1-OE1 3.53Å; H89-E91 WeakPolarHBondContact NE2-CG 3.2Å; H89-E91 IonicContact NE2-OE1 2.89Å; H89-E91 PolarHBondContact NE2-OE1 2.78Å; H89-Y127 WeakPolarHBondContact CA-O 3.36Å; H89-E128 HydrophobicContact CB-CG 4.46Å; H89-E128 IonicContact ND1-OE1 3.24Å
90V93.7Very high89.4Confident0 Ų053.7 Ų53.70%031%0.314CS..EExtended strand (participates in β ladder)trans-116.6128.7-175.7-1740000109.4V79 A80 V81 L110 I126 Y127 V173V79-V90 HydrophobicContact CG1-CG1 3.79Å; A80-V90 WeakPolarHBondContact O-CA 3.23Å; V81-V90 HydrophobicContact CG1-CG2 4.48Å; V90-L110 HydrophobicContact CB-CD2 4.29Å; V90-L110 HydrophobicContact CG2-CD2 3.89Å; V90-I126 WeakPolarHBondContact O-CA 3.31Å; V90-Y127 PolarHBondContact N-O 2.86Å; V90-Y127 PolarHBondContact O-N 3.31Å; V90-V173 HydrophobicContact CG1-CG2 4.33Å; V90-V173 HydrophobicContact CG2-CG1 3.96Å
91E93.4Very high88.9Confident75 Ų7557.6 Ų57.635%0.3532%0.323SS..EExtended strand (participates in β ladder)trans-114.6119176.8-62.4179.9178.800109.4V79 A80 H89 L125V79-E91 CarbonylContact C-O 3.58Å; V79-E91 VanDerWaalsContact CA-O 3.31Å; V79-E91 WeakPolarHBondContact CA-O 3.39Å; A80-E91 HydrophobicContact CB-CB 4.41Å; A80-E91 PolarHBondContact N-O 3.17Å; A80-E91 PolarHBondContact O-N 2.91Å; H89-E91 IonicContact CD2-OE1 3.47Å; H89-E91 IonicContact CE1-OE1 3.53Å; H89-E91 WeakPolarHBondContact NE2-CG 3.2Å; H89-E91 IonicContact NE2-OE1 2.89Å; H89-E91 PolarHBondContact NE2-OE1 2.78Å; E91-L125 WeakPolarHBondContact CA-O 3.27Å
92A91.9Very high88.5Confident0 Ų058.2 Ų58.20%033%0.329CS..EExtended strand (participates in β ladder)trans-116.7124.3178.800000110.6V79 L108 V124 L125 Y127 L151V79-A92 HydrophobicContact CG2-CB 4.27Å; A92-L108 HydrophobicContact CB-CD2 3.68Å; A92-V124 CarbonylContact O-C 3.52Å; A92-V124 WeakPolarHBondContact O-CA 3.26Å; A92-L125 PolarHBondContact N-O 3.24Å; A92-L125 PolarHBondContact O-N 2.86Å; A92-Y127 HydrophobicContact CB-CE2 4.41Å; A92-L151 HydrophobicContact CB-CD2 3.94Å
93K91.1Very high88.1Confident99 Ų9955.7 Ų55.743%0.4332%0.315SS..EExtended strand (participates in β ladder)trans-66.4140.5176.4-70177.6-172.4158.60110.9A77 T78 D95 L96 V124A77-K93 PolarHBondContact O-NZ 2.82Å; T78-K93 PolarHBondContact O-N 2.75Å; K93-D95 PolarHBondContact O-N 3.35Å; K93-L96 PolarHBondContact O-N 3Å; K93-V124 HydrophobicContact CG-CG1 3.83Å
94M88.1Confident87.8Confident21 Ų2156.5 Ų56.510%0.10332%0.316CS..SBendtrans-61.5-33.8174.4-66.5172.6178.900111.1L96 P102 I103 E118 Q123 L125M94-L96 PolarHBondContact O-N 2.9Å; M94-P102 HydrophobicContact CB-CB 3.91Å; M94-P102 CarbonylContact O-C 3.54Å; M94-P102 WeakPolarHBondContact O-CA 3.5Å; M94-I103 WeakPolarHBondContact O-CG1 3.42Å; M94-I103 PolarHBondContact O-N 3.48Å; M94-E118 HydrophobicContact CE-CB 4.34Å; M94-Q123 HydrophobicContact CB-CB 4.44Å; M94-Q123 HydrophobicContact CG-CB 4.48Å; M94-Q123 WeakPolarHBondContact CG-O 3.49Å; M94-Q123 PolarHBondContact N-O 2.84Å; M94-Q123 HydrophobicContact SD-CB 4.01Å; M94-L125 HydrophobicContact CE-CD2 3.68Å; M94-L125 HydrophobicContact CE-CG 4.48Å; M94-L125 HydrophobicContact CG-CD2 4.36Å; M94-L125 HydrophobicContact CG-CG 4.25Å
95D86.7Confident87.4Confident43 Ų4354 Ų5423%0.2331%0.31CS..SBendtrans-81.564.4165-173.520.7000111.3K93 F97 G98 I99 G100K93-D95 PolarHBondContact O-N 3.35Å; D95-F97 PolarHBondContact O-N 2.97Å; D95-F97 VanDerWaalsContact O-N 3.12Å; D95-G98 PolarHBondContact O-N 3.18Å; D95-G98 PolarHBondContact OD1-N 3.21Å; D95-G98 VanDerWaalsContact OD1-N 3.13Å; D95-G98 VanDerWaalsContact OD2-CA 3.31Å; D95-G98 WeakPolarHBondContact OD2-CA 3.46Å; D95-I99 PolarHBondContact OD1-N 2.77Å; D95-I99 PolarHBondContact OD2-N 3.34Å; D95-G100 VanDerWaalsContact CG-N 3.27Å; D95-G100 PolarHBondContact OD1-N 3.2Å; D95-G100 WeakPolarHBondContact OD2-CA 3.49Å; D95-G100 PolarHBondContact OD2-N 2.96Å
96L83.2Confident87.2Confident1 Ų149.7 Ų49.71%0.00530%0.3CS..THydrogen-bonded Turntrans-59.5-22.4-176.5-175.564.1000113.4V74 T78 V79 K93 M94 I103 L108 Y153V74-L96 HydrophobicContact CG1-CD1 3.83Å; V74-L96 HydrophobicContact CG1-CG 4.18Å; V74-L96 WeakPolarHBondContact CG1-O 3.31Å; V74-L96 HydrophobicContact CG2-CG 4.42Å; T78-L96 PolarHBondContact OG1-O 3.01Å; V79-L96 HydrophobicContact CG2-CD1 3.88Å; K93-L96 PolarHBondContact O-N 3Å; M94-L96 PolarHBondContact O-N 2.9Å; L96-I103 HydrophobicContact CB-CD1 4.15Å; L96-I103 HydrophobicContact CB-CG2 4.28Å; L96-I103 HydrophobicContact CD2-CD1 4.08Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; L96-Y153 HydrophobicContact CD2-CD2 4.42Å; L96-Y153 HydrophobicContact CD2-CG 4.19Å
97F81.6Confident87.1Confident43 Ų4347.4 Ų47.419%0.18928%0.279CS..THydrogen-bonded Turntrans-103.4-5.7-178.2-61.2-76.4000113.7V74 D95 I99 I103 Y153 A169V74-F97 HydrophobicContact CG2-CD1 4.2Å; V74-F97 HydrophobicContact CG2-CE1 3.87Å; D95-F97 PolarHBondContact O-N 2.97Å; D95-F97 VanDerWaalsContact O-N 3.12Å; F97-I99 VanDerWaalsContact C-N 3.32Å; F97-I99 HydrophobicContact CB-CD1 4.11Å; F97-I99 HydrophobicContact CB-CG1 4.07Å; F97-I99 HydrophobicContact CB-CG2 3.99Å; F97-I103 HydrophobicContact CD2-CG2 4.4Å; F97-I103 HydrophobicContact CE2-CG2 4.2Å; F97-Y153 AromaticContact CE2-CD1 3.82Å; F97-Y153 HydrophobicContact CE2-CD1 3.82Å; F97-Y153 AromaticContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CG 4.46Å; F97-Y153 AromaticContact CZ-CD1 3.57Å; F97-Y153 HydrophobicContact CZ-CD1 3.57Å; F97-Y153 AromaticContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CG 4.31Å; F97-A169 HydrophobicContact CE1-CB 4.2Å; F97-A169 HydrophobicContact CZ-CB 4.34Å
98G79.6Confident86.9Confident52 Ų5245.6 Ų45.654%0.53627%0.269SS..SBendtrans66.831.8-175.700000113.4D95D95-G98 PolarHBondContact O-N 3.18Å; D95-G98 PolarHBondContact OD1-N 3.21Å; D95-G98 VanDerWaalsContact OD1-N 3.13Å; D95-G98 VanDerWaalsContact OD2-CA 3.31Å; D95-G98 WeakPolarHBondContact OD2-CA 3.46Å
99I79.1Confident86.9Confident107 Ų10747.6 Ų47.655%0.54928%0.281SS..SBendtrans-107.91.6-175.463.5177.2000113.1D95 F97 Q101D95-I99 PolarHBondContact OD1-N 2.77Å; D95-I99 PolarHBondContact OD2-N 3.34Å; F97-I99 VanDerWaalsContact C-N 3.32Å; F97-I99 HydrophobicContact CB-CD1 4.11Å; F97-I99 HydrophobicContact CB-CG1 4.07Å; F97-I99 HydrophobicContact CB-CG2 3.99Å; I99-Q101 VanDerWaalsContact C-N 3.26Å; I99-Q101 HydrophobicContact CD1-CB 4.2Å; I99-Q101 HydrophobicContact CG1-CB 4.08Å; I99-Q101 PolarHBondContact O-N 2.81Å
100G78.8Confident86.7Confident65 Ų6546.6 Ų46.667%0.6728%0.276SS*.SBendtrans73.611.6-177.200000114.6D95D95-G100 VanDerWaalsContact CG-N 3.27Å; D95-G100 PolarHBondContact OD1-N 3.2Å; D95-G100 WeakPolarHBondContact OD2-CA 3.49Å; D95-G100 PolarHBondContact OD2-N 2.96Å
101Q81.3Confident86.5Confident136 Ų13647.3 Ų47.364%0.63628%0.283SS*.  trans-115.5115.6176.1-176.9178-14.800109.6I99I99-Q101 VanDerWaalsContact C-N 3.26Å; I99-Q101 HydrophobicContact CD1-CB 4.2Å; I99-Q101 HydrophobicContact CG1-CB 4.08Å; I99-Q101 PolarHBondContact O-N 2.81Å
102P84.9Confident86.3Confident76 Ų7650.3 Ų50.349%0.49430%0.302SS..PPolyproline II helixtrans-68.8140.8177.528.6-34.1000111.4M94M94-P102 HydrophobicContact CB-CB 3.91Å; M94-P102 CarbonylContact O-C 3.54Å; M94-P102 WeakPolarHBondContact O-CA 3.5Å
103I86.3Confident86.3Confident16 Ų1651.8 Ų51.88%0.08231%0.312CS..PPolyproline II helixtrans-75.7163169.570.3179.6000111.4M94 L96 F97 L108 Y153M94-I103 WeakPolarHBondContact O-CG1 3.42Å; M94-I103 PolarHBondContact O-N 3.48Å; L96-I103 HydrophobicContact CB-CD1 4.15Å; L96-I103 HydrophobicContact CB-CG2 4.28Å; L96-I103 HydrophobicContact CD2-CD1 4.08Å; F97-I103 HydrophobicContact CD2-CG2 4.4Å; F97-I103 HydrophobicContact CE2-CG2 4.2Å; I103-L108 HydrophobicContact CD1-CB 3.93Å; I103-L108 HydrophobicContact CD1-CD1 4.37Å; I103-L108 HydrophobicContact CD1-CD2 3.98Å; I103-L108 HydrophobicContact CD1-CG 4.31Å; I103-Y153 HydrophobicContact CB-CE2 3.76Å; I103-Y153 HydrophobicContact CD1-CD2 4Å; I103-Y153 HydrophobicContact CD1-CE2 4.09Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I103-Y153 HydrophobicContact CG2-CD2 4.39Å; I103-Y153 HydrophobicContact CG2-CE2 3.71Å
104N86.4Confident86.3Confident67 Ų6751.3 Ų51.336%0.35832%0.319SS..PPolyproline II helixtrans-72.6127.8167.4174.710.7000109.8S106 D107 S156N104-S106 PolarHBondContact O-N 3.41Å; N104-S106 VanDerWaalsContact O-N 3.13Å; N104-S106 PolarHBondContact OD1-N 2.8Å; N104-S106 VanDerWaalsContact OD1-N 3.12Å; N104-D107 HydrophobicContact CB-CB 4.21Å; N104-D107 PolarHBondContact ND2-OD1 3.32Å; N104-D107 WeakPolarHBondContact O-CB 3.33Å; N104-D107 PolarHBondContact O-N 2.67Å; N104-S156 PolarHBondContact ND2-OG 2.04Å
105P86.4Confident86.6Confident28 Ų2852.8 Ų52.818%0.18233%0.325CS..G310 helixtrans-57.1-26177.2-2836.3000115.3D107 H115 E118 L125P105-D107 VanDerWaalsContact C-N 3.31Å; P105-H115 PolarHBondContact O-CE1 2.86Å; P105-H115 PolarHBondContact O-ND1 3.35Å; P105-E118 WeakPolarHBondContact CB-OE1 3.42Å; P105-E118 WeakPolarHBondContact CG-OE1 3.26Å; P105-L125 HydrophobicContact CB-CD1 4.25Å; P105-L125 HydrophobicContact CB-CD2 3.73Å; P105-L125 HydrophobicContact CG-CD2 3.98Å
106S86.8Confident86.8Confident92 Ų9254.9 Ų54.964%0.64334%0.34SS*.G310 helixtrans-75.8-16.1175.5-54.70000113.9N104 L108N104-S106 PolarHBondContact O-N 3.41Å; N104-S106 VanDerWaalsContact O-N 3.13Å; N104-S106 PolarHBondContact OD1-N 2.8Å; N104-S106 VanDerWaalsContact OD1-N 3.12Å; S106-L108 VanDerWaalsContact C-N 3.35Å
107D87.6Confident87.2Confident13 Ų1356 Ų567%0.0735%0.352CS..G310 helixtrans-88.9-1.4-176.8-67.66.5000112.4N104 P105 Y153 S154 P155 S156N104-D107 HydrophobicContact CB-CB 4.21Å; N104-D107 PolarHBondContact ND2-OD1 3.32Å; N104-D107 WeakPolarHBondContact O-CB 3.33Å; N104-D107 PolarHBondContact O-N 2.67Å; P105-D107 VanDerWaalsContact C-N 3.31Å; D107-Y153 HydrophobicContact CB-CD2 4.1Å; D107-Y153 HydrophobicContact CB-CE2 3.62Å; D107-Y153 CarbonylContact O-C 3.54Å; D107-Y153 WeakPolarHBondContact O-CA 3.4Å; D107-Y153 WeakPolarHBondContact O-CD2 3.36Å; D107-S154 WeakPolarHBondContact CB-O 3.44Å; D107-S154 PolarHBondContact O-N 3.47Å; D107-P155 WeakPolarHBondContact OD2-CA 3.08Å; D107-S156 VanDerWaalsContact CG-N 3.33Å; D107-S156 VanDerWaalsContact CG-OG 3.31Å; D107-S156 VanDerWaalsContact OD1-CB 3.27Å; D107-S156 WeakPolarHBondContact OD1-CB 3.41Å; D107-S156 PolarHBondContact OD1-N 3.09Å; D107-S156 PolarHBondContact OD1-OG 2.95Å; D107-S156 PolarHBondContact OD2-N 2.96Å; D107-S156 PolarHBondContact OD2-OG 2.88Å; D107-S156 VanDerWaalsContact OD2-OG 3.14Å
108L90.2Very high87.7Confident3 Ų358.4 Ų58.42%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-121.2118.8-178-166.971.9000111.7A92 L96 I103 S106 L125 Y127 L151 Y153A92-L108 HydrophobicContact CB-CD2 3.68Å; L96-L108 HydrophobicContact CD2-CD1 3.77Å; I103-L108 HydrophobicContact CD1-CB 3.93Å; I103-L108 HydrophobicContact CD1-CD1 4.37Å; I103-L108 HydrophobicContact CD1-CD2 3.98Å; I103-L108 HydrophobicContact CD1-CG 4.31Å; S106-L108 VanDerWaalsContact C-N 3.35Å; L108-L125 HydrophobicContact CB-CD1 4.31Å; L108-L125 HydrophobicContact CD2-CD1 3.99Å; L108-Y127 WeakPolarHBondContact CB-OH 3.44Å; L108-Y127 HydrophobicContact CD2-CE2 4.35Å; L108-Y127 WeakPolarHBondContact CD2-OH 3.33Å; L108-Y127 WeakPolarHBondContact CG-OH 3.39Å; L108-Y127 PolarHBondContact O-OH 2.82Å; L108-L151 HydrophobicContact CD1-CD1 4.17Å; L108-L151 HydrophobicContact CD1-CG 4Å; L108-L151 HydrophobicContact CD2-CD1 4.02Å; L108-L151 HydrophobicContact CD2-CD2 4.3Å; L108-L151 HydrophobicContact CD2-CG 4.32Å; L108-L151 HydrophobicContact CG-CD1 3.82Å; L108-L151 HydrophobicContact CG-CG 4.18Å; L108-Y153 HydrophobicContact CD1-CD2 4.26Å; L108-Y153 HydrophobicContact CD1-CG 4.49Å
109V91.9Very high88.2Confident42 Ų4258.7 Ų58.726%0.25535%0.353SS..EExtended strand (participates in β ladder)trans-128.5128.7-173.4-176.50000110.2G111 C113 N152V109-G111 WeakPolarHBondContact CG1-O 3.33Å; V109-G111 PolarHBondContact O-N 3.4Å; V109-C113 VanDerWaalsContact CG1-O 3.26Å; V109-C113 WeakPolarHBondContact CG1-O 3.43Å; V109-N152 PolarHBondContact N-O 3Å; V109-N152 PolarHBondContact O-N 3.03Å
110L91.9Very high88.5Confident0 Ų058.5 Ų58.50%036%0.359CS..EExtended strand (participates in β ladder)trans-84.897.9174.6-175.561.7000109.1V90 N112 C113 Y127 V129 Y149 L151V90-L110 HydrophobicContact CB-CD2 4.29Å; V90-L110 HydrophobicContact CG2-CD2 3.89Å; L110-N112 PolarHBondContact O-N 2.9Å; L110-C113 PolarHBondContact N-O 2.83Å; L110-C113 PolarHBondContact O-N 3.3Å; L110-Y127 HydrophobicContact CB-CD1 3.47Å; L110-Y127 VanDerWaalsContact CB-CD1 3.47Å; L110-Y127 HydrophobicContact CB-CE1 3.87Å; L110-Y127 HydrophobicContact CB-CG 4.01Å; L110-Y127 HydrophobicContact CD2-CD1 4.33Å; L110-Y127 HydrophobicContact CD2-CG 4.12Å; L110-V129 HydrophobicContact CD2-CG1 4.1Å; L110-V129 HydrophobicContact CD2-CG2 3.65Å; L110-Y149 HydrophobicContact CD1-CG 4.41Å; L110-Y149 HydrophobicContact CG-CD1 4.41Å; L110-L151 HydrophobicContact CB-CD1 4.06Å; L110-L151 HydrophobicContact CD1-CB 3.92Å; L110-L151 HydrophobicContact CD1-CD1 4.12Å
111G89.1Confident88.8Confident15 Ų1561.9 Ų61.916%0.15537%0.366CS..THydrogen-bonded Turntrans61-98.6-17000000111V109 C134 F150V109-G111 WeakPolarHBondContact CG1-O 3.33Å; V109-G111 PolarHBondContact O-N 3.4Å; G111-C134 CarbonylContact C-O 3.54Å; G111-C134 WeakPolarHBondContact CA-O 3.35Å; G111-F150 WeakPolarHBondContact CA-O 3.32Å; G111-F150 PolarHBondContact N-O 3.08Å
112N88.9Confident88.9Confident137 Ų13758.1 Ų58.173%0.73336%0.358SS*.THydrogen-bonded Turntrans-113.87.3177.7-65.2-24.1000113.9L110 C134L110-N112 PolarHBondContact O-N 2.9Å; N112-C134 PolarHBondContact N-O 2.86Å
113C91.9Very high89.2Confident32 Ų3259.9 Ų59.922%0.21636%0.36CS..BIsolated β-bridgetrans-114.5137-174.8-70.10000113.2V109 L110 V129 C134V109-C113 VanDerWaalsContact CG1-O 3.26Å; V109-C113 WeakPolarHBondContact CG1-O 3.43Å; L110-C113 PolarHBondContact N-O 2.83Å; L110-C113 PolarHBondContact O-N 3.3Å; C113-V129 HydrophobicContact CB-CG1 4.48Å; C113-C134 HydrophobicContact CB-CB 3.67Å; C113-C134 WeakPolarHBondContact CB-SG 3.4Å; C113-C134 WeakPolarHBondContact SG-CA 3.45Å; C113-C134 WeakPolarHBondContact SG-CB 3.42Å; C113-C134 CovalentContact SG-SG 2.03Å; C113-C134 PolarHBondContact SG-SG 3.2Å
114P92.4Very high89.5Confident89 Ų8959.7 Ų59.758%0.57836%0.36SS*.  trans-69.7172.8170.333.5-36.5000111.1Y127P114-Y127 WeakPolarHBondContact O-CD1 3.44Å
115H92.8Very high89.8Confident51 Ų5156.5 Ų56.524%0.23634%0.343CS..  trans-61.6147170.656.8-105000110.9P105 E118 L125 I126 Y127P105-H115 PolarHBondContact O-CE1 2.86Å; P105-H115 PolarHBondContact O-ND1 3.35Å; H115-E118 IonicContact CE1-OE1 3.99Å; H115-E118 IonicContact NE2-OE1 3.06Å; H115-L125 HydrophobicContact CB-CB 4.35Å; H115-I126 CarbonylContact C-O 3.57Å; H115-I126 WeakPolarHBondContact CA-O 3.44Å; H115-I126 WeakPolarHBondContact CB-O 3.46Å; H115-Y127 VanDerWaalsContact CA-CD1 3.49Å; H115-Y127 VanDerWaalsContact CA-CE1 3.46Å; H115-Y127 HydrophobicContact CB-CD1 4.21Å; H115-Y127 HydrophobicContact CB-CE1 3.85Å; H115-Y127 HydrophobicContact CB-CE2 4.2Å; H115-Y127 VanDerWaalsContact N-CE1 3.26Å
116T92.3Very high90.2Very high87 Ų8757 Ų5753%0.53434%0.343SS..SBendtrans-91.7-18.2174.751.70000112.6I126 E128T116-I126 PolarHBondContact N-O 3.02Å; T116-I126 PolarHBondContact OG1-O 2.96Å; T116-E128 PolarHBondContact OG1-N 2.79Å
117G90.4Very high90.6Very high26 Ų2652.7 Ų52.727%0.26831%0.313SS..EExtended strand (participates in β ladder)trans-165.7170.7173.800000113.4I126G117-I126 PolarHBondContact N-O 3.27Å; G117-I126 PolarHBondContact O-N 2.93Å
118E92.4Very high90.9Very high93 Ų9356.7 Ų56.744%0.43533%0.331SS..EExtended strand (participates in β ladder)trans-130.3138.1175.3-53.1-171.6169.300109.5M94 P105 H115 V124 L125M94-E118 HydrophobicContact CE-CB 4.34Å; P105-E118 WeakPolarHBondContact CB-OE1 3.42Å; P105-E118 WeakPolarHBondContact CG-OE1 3.26Å; H115-E118 IonicContact CE1-OE1 3.99Å; H115-E118 IonicContact NE2-OE1 3.06Å; E118-V124 WeakPolarHBondContact CA-O 3.43Å; E118-L125 HydrophobicContact CB-CD2 4.42Å; E118-L125 HydrophobicContact CG-CD2 3.76Å
119D90.1Very high91.1Very high58 Ų5857 Ų5731%0.3133%0.333SS..EExtended strand (participates in β ladder)trans-103.6109.6164.7-177.4-19.8000109.1V121 A122 Q123 V124D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 2.88Å; D119-V121 WeakPolarHBondContact OD1-CA 3Å; D119-V121 WeakPolarHBondContact OD1-CB 3.44Å; D119-V121 PolarHBondContact OD1-N 3.07Å; D119-A122 HydrophobicContact CB-CB 4.2Å; D119-A122 PolarHBondContact OD1-N 2.72Å; D119-A122 WeakPolarHBondContact OD2-CB 3.32Å; D119-Q123 VanDerWaalsContact O-CA 3.23Å; D119-Q123 WeakPolarHBondContact O-CA 3.4Å; D119-Q123 PolarHBondContact O-N 2.74Å; D119-V124 HydrophobicContact CB-CG2 3.8Å; D119-V124 PolarHBondContact N-O 2.83Å; D119-V124 PolarHBondContact O-N 2.88Å
120P84.8Confident91.1Very high103 Ų10359.4 Ų59.467%0.66934%0.342SS*.THydrogen-bonded Turntrans-76.5-12.2-179.632.2-36.1000113.9
121V86.6Confident91.2Very high136 Ų13660 Ų6082%0.82435%0.345SS*.THydrogen-bonded Turntrans-88.1-46.1177.4-1750000110.3D119D119-V121 VanDerWaalsContact C-N 3.29Å; D119-V121 PolarHBondContact O-N 2.88Å; D119-V121 WeakPolarHBondContact OD1-CA 3Å; D119-V121 WeakPolarHBondContact OD1-CB 3.44Å; D119-V121 PolarHBondContact OD1-N 3.07Å
122A83.6Confident91.3Very high57 Ų5765.6 Ų65.647%0.47137%0.366SS..THydrogen-bonded Turntrans-82.6-13.2175.200000113.6D119 V124D119-A122 HydrophobicContact CB-CB 4.2Å; D119-A122 PolarHBondContact OD1-N 2.72Å; D119-A122 WeakPolarHBondContact OD2-CB 3.32Å; A122-V124 HydrophobicContact CB-CG2 4.09Å
123Q89.8Confident91.4Very high112 Ų11264.1 Ų64.152%0.52335%0.354SS..THydrogen-bonded Turntrans55.249.5-174.8-60.1-171-27.800112.5M94 D119M94-Q123 HydrophobicContact CB-CB 4.44Å; M94-Q123 HydrophobicContact CG-CB 4.48Å; M94-Q123 WeakPolarHBondContact CG-O 3.49Å; M94-Q123 PolarHBondContact N-O 2.84Å; M94-Q123 HydrophobicContact SD-CB 4.01Å; D119-Q123 VanDerWaalsContact O-CA 3.23Å; D119-Q123 WeakPolarHBondContact O-CA 3.4Å; D119-Q123 PolarHBondContact O-N 2.74Å
124V93.1Very high91.3Very high13 Ų1363.6 Ų63.68%0.07935%0.35CS..EExtended strand (participates in β ladder)trans-121148.5176.1-64.70000112.4A92 K93 E118 D119 A122 I126A92-V124 CarbonylContact O-C 3.52Å; A92-V124 WeakPolarHBondContact O-CA 3.26Å; K93-V124 HydrophobicContact CG-CG1 3.83Å; E118-V124 WeakPolarHBondContact CA-O 3.43Å; D119-V124 HydrophobicContact CB-CG2 3.8Å; D119-V124 PolarHBondContact N-O 2.83Å; D119-V124 PolarHBondContact O-N 2.88Å; A122-V124 HydrophobicContact CB-CG2 4.09Å; V124-I126 HydrophobicContact CG2-CG1 4.35Å
125L93.3Very high91.1Very high0 Ų061.4 Ų61.40%034%0.344CS..EExtended strand (participates in β ladder)trans-99.4129168.9-55.9176.9000107.9E91 A92 M94 P105 L108 H115 E118 Y127E91-L125 WeakPolarHBondContact CA-O 3.27Å; A92-L125 PolarHBondContact N-O 3.24Å; A92-L125 PolarHBondContact O-N 2.86Å; M94-L125 HydrophobicContact CE-CD2 3.68Å; M94-L125 HydrophobicContact CE-CG 4.48Å; M94-L125 HydrophobicContact CG-CD2 4.36Å; M94-L125 HydrophobicContact CG-CG 4.25Å; P105-L125 HydrophobicContact CB-CD1 4.25Å; P105-L125 HydrophobicContact CB-CD2 3.73Å; P105-L125 HydrophobicContact CG-CD2 3.98Å; L108-L125 HydrophobicContact CB-CD1 4.31Å; L108-L125 HydrophobicContact CD2-CD1 3.99Å; H115-L125 HydrophobicContact CB-CB 4.35Å; E118-L125 HydrophobicContact CB-CD2 4.42Å; E118-L125 HydrophobicContact CG-CD2 3.76Å; L125-Y127 HydrophobicContact CB-CE2 3.93Å
126I94.2Very high91.1Very high39 Ų3960.2 Ų60.220%0.234%0.341CS..EExtended strand (participates in β ladder)trans-108.2134.6-175.1-56.5172.7000108.6V90 H115 T116 G117 V124V90-I126 WeakPolarHBondContact O-CA 3.31Å; H115-I126 CarbonylContact C-O 3.57Å; H115-I126 WeakPolarHBondContact CA-O 3.44Å; H115-I126 WeakPolarHBondContact CB-O 3.46Å; T116-I126 PolarHBondContact N-O 3.02Å; T116-I126 PolarHBondContact OG1-O 2.96Å; G117-I126 PolarHBondContact N-O 3.27Å; G117-I126 PolarHBondContact O-N 2.93Å; V124-I126 HydrophobicContact CG2-CG1 4.35Å
127Y94.6Very high91.1Very high0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-128108.6174.7-54.8-107.1000108.9H89 V90 A92 L108 L110 P114 H115 L125 L151H89-Y127 WeakPolarHBondContact CA-O 3.36Å; V90-Y127 PolarHBondContact N-O 2.86Å; V90-Y127 PolarHBondContact O-N 3.31Å; A92-Y127 HydrophobicContact CB-CE2 4.41Å; L108-Y127 WeakPolarHBondContact CB-OH 3.44Å; L108-Y127 HydrophobicContact CD2-CE2 4.35Å; L108-Y127 WeakPolarHBondContact CD2-OH 3.33Å; L108-Y127 WeakPolarHBondContact CG-OH 3.39Å; L108-Y127 PolarHBondContact O-OH 2.82Å; L110-Y127 HydrophobicContact CB-CD1 3.47Å; L110-Y127 VanDerWaalsContact CB-CD1 3.47Å; L110-Y127 HydrophobicContact CB-CE1 3.87Å; L110-Y127 HydrophobicContact CB-CG 4.01Å; L110-Y127 HydrophobicContact CD2-CD1 4.33Å; L110-Y127 HydrophobicContact CD2-CG 4.12Å; P114-Y127 WeakPolarHBondContact O-CD1 3.44Å; H115-Y127 VanDerWaalsContact CA-CD1 3.49Å; H115-Y127 VanDerWaalsContact CA-CE1 3.46Å; H115-Y127 HydrophobicContact CB-CD1 4.21Å; H115-Y127 HydrophobicContact CB-CE1 3.85Å; H115-Y127 HydrophobicContact CB-CE2 4.2Å; H115-Y127 VanDerWaalsContact N-CE1 3.26Å; L125-Y127 HydrophobicContact CB-CE2 3.93Å; Y127-L151 HydrophobicContact CE1-CD1 4.41Å; Y127-L151 HydrophobicContact CE2-CD1 4.03Å
128E94.1Very high91.2Very high97 Ų9764.2 Ų64.245%0.45335%0.349SS..EExtended strand (participates in β ladder)trans-99111.7167.6-70.5-167.4131.400109.5R84 V87 H89 T116R84-E128 IonicContact CZ-OE1 3.69Å; R84-E128 IonicContact NH1-OE1 3.73Å; R84-E128 PolarHBondContact NH1-OE1 3.13Å; V87-E128 HydrophobicContact CG1-CB 4.22Å; H89-E128 HydrophobicContact CB-CG 4.46Å; H89-E128 IonicContact ND1-OE1 3.24Å; T116-E128 PolarHBondContact OG1-N 2.79Å
129V93.9Very high91.2Very high9 Ų963.3 Ų63.36%0.05535%0.35CS..EExtended strand (participates in β ladder)trans-133.7136.3-174.7-60.40000112.1V87 A88 L110 C113 C134 Y149V87-V129 CarbonylContact C-O 3.5Å; V87-V129 WeakPolarHBondContact CA-O 3.42Å; A88-V129 HydrophobicContact CB-CG2 4.2Å; A88-V129 PolarHBondContact N-O 2.78Å; A88-V129 PolarHBondContact O-N 2.8Å; L110-V129 HydrophobicContact CD2-CG1 4.1Å; L110-V129 HydrophobicContact CD2-CG2 3.65Å; C113-V129 HydrophobicContact CB-CG1 4.48Å; V129-C134 HydrophobicContact CB-CB 4.5Å; V129-C134 HydrophobicContact CG1-CB 4.35Å; V129-C134 WeakPolarHBondContact CG1-SG 2.99Å; V129-Y149 HydrophobicContact CG2-CD1 4.47Å; V129-Y149 HydrophobicContact CG2-CE1 3.7Å
130E93.6Very high91.3Very high94 Ų9466.5 Ų66.544%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-63.7148.8174.8-69.7165.6-135.900111.9A86 H132 K133 Y149A86-E130 WeakPolarHBondContact O-CA 3.49Å; E130-H132 PolarHBondContact O-N 2.96Å; E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.02Å; E130-K133 HydrophobicContact CB-CG 4.07Å; E130-K133 HydrophobicContact CG-CD 4.32Å; E130-K133 PolarHBondContact O-N 3.27Å; E130-K133 IonicContact OE1-NZ 2.88Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 WeakPolarHBondContact OE2-CD 2.98Å; E130-K133 WeakPolarHBondContact OE2-CE 3.36Å; E130-K133 IonicContact OE2-NZ 3.79Å; E130-K133 PolarHBondContact OE2-NZ 2.66Å; E130-Y149 PolarHBondContact O-OH 2.8Å
131L92.8Very high91.6Very high11 Ų1164.6 Ų64.66%0.05835%0.351CS..THydrogen-bonded Turntrans-58.8-22.5-173.7-67175.3000115.3A86 A88 S136 Y147 Y149 Y177A86-L131 PolarHBondContact O-N 2.03Å; A86-L131 VanDerWaalsContact O-N 3.08Å; A88-L131 HydrophobicContact CB-CD2 4.24Å; L131-S136 VanDerWaalsContact O-CB 3.23Å; L131-S136 WeakPolarHBondContact O-CB 3.37Å; L131-S136 PolarHBondContact O-OG 2.88Å; L131-Y147 HydrophobicContact CB-CD1 4.02Å; L131-Y147 HydrophobicContact CB-CD2 4.35Å; L131-Y147 HydrophobicContact CB-CE1 3.95Å; L131-Y147 HydrophobicContact CB-CE2 4.28Å; L131-Y147 HydrophobicContact CB-CG 4.21Å; L131-Y147 HydrophobicContact CD1-CD2 4.33Å; L131-Y147 HydrophobicContact CD1-CE2 4.11Å; L131-Y147 HydrophobicContact CD2-CD2 4.27Å; L131-Y147 HydrophobicContact CD2-CG 4.28Å; L131-Y147 WeakPolarHBondContact O-CD1 3.47Å; L131-Y147 WeakPolarHBondContact O-CE1 3.18Å; L131-Y149 VanDerWaalsContact CA-OH 3.26Å; L131-Y149 WeakPolarHBondContact CA-OH 3.23Å; L131-Y177 HydrophobicContact CD1-CD2 4.38Å; L131-Y177 HydrophobicContact CD1-CE1 4.43Å; L131-Y177 HydrophobicContact CD1-CE2 3.6Å; L131-Y177 HydrophobicContact CD2-CE2 3.82Å; L131-Y177 WeakPolarHBondContact CD2-OH 3.45Å; L131-Y177 HydrophobicContact CG-CE2 4.38Å
132H91.2Very high91.6Very high133 Ų13364.3 Ų64.362%0.61635%0.345SS*.THydrogen-bonded Turntrans-106.98178.9-59.1-76.3000114.3E130 S136 Y147E130-H132 PolarHBondContact O-N 2.96Å; H132-S136 VanDerWaalsContact CA-OG 3.32Å; H132-S136 WeakPolarHBondContact CA-OG 3.26Å; H132-S136 PolarHBondContact O-OG 2.74Å; H132-Y147 AromaticContact CE1-CE1 3.58Å; H132-Y147 AromaticContact CE1-CZ 3.82Å; H132-Y147 PolarHBondContact CE1-OH 2.82Å; H132-Y147 AromaticContact ND1-CE1 3.71Å; H132-Y147 PolarHBondContact NE2-OH 2.93Å
133K91.3Very high91.8Very high107 Ų10766.6 Ų66.647%0.46535%0.349SS..SBendtrans-109.3178.2-174.6-73-172.3178.6159.20112.5E130 G135 S136E130-K133 HydrophobicContact CB-CB 4.2Å; E130-K133 HydrophobicContact CB-CD 4.02Å; E130-K133 HydrophobicContact CB-CG 4.07Å; E130-K133 HydrophobicContact CG-CD 4.32Å; E130-K133 PolarHBondContact O-N 3.27Å; E130-K133 IonicContact OE1-NZ 2.88Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 WeakPolarHBondContact OE2-CD 2.98Å; E130-K133 WeakPolarHBondContact OE2-CE 3.36Å; E130-K133 IonicContact OE2-NZ 3.79Å; E130-K133 PolarHBondContact OE2-NZ 2.66Å; K133-G135 PolarHBondContact O-N 2.92Å; K133-S136 PolarHBondContact N-OG 3.22Å; K133-S136 WeakPolarHBondContact O-CB 3.35Å; K133-S136 PolarHBondContact O-N 3.33Å; K133-S136 VanDerWaalsContact O-N 3.09Å; K133-S136 PolarHBondContact O-OG 3Å
134C90.9Very high91.9Very high20 Ų2062 Ų6214%0.13533%0.331CS..THydrogen-bonded Turntrans60.212.2173.8-57.30000116.5G111 N112 C113 V129G111-C134 CarbonylContact C-O 3.54Å; G111-C134 WeakPolarHBondContact CA-O 3.35Å; N112-C134 PolarHBondContact N-O 2.86Å; C113-C134 HydrophobicContact CB-CB 3.67Å; C113-C134 WeakPolarHBondContact CB-SG 3.4Å; C113-C134 WeakPolarHBondContact SG-CA 3.45Å; C113-C134 WeakPolarHBondContact SG-CB 3.42Å; C113-C134 CovalentContact SG-SG 2.03Å; C113-C134 PolarHBondContact SG-SG 3.2Å; V129-C134 HydrophobicContact CB-CB 4.5Å; V129-C134 HydrophobicContact CG1-CB 4.35Å; V129-C134 WeakPolarHBondContact CG1-SG 2.99Å
135G88.1Confident91.9Very high44 Ų4463.9 Ų63.945%0.45434%0.34SS..THydrogen-bonded Turntrans94.314.5-17800000114.6K133K133-G135 PolarHBondContact O-N 2.92Å
136S91.6Very high91.9Very high25 Ų2564.4 Ų64.418%0.17534%0.343CS..  trans-46.2134169.158.40000112.9L131 H132 K133L131-S136 VanDerWaalsContact O-CB 3.23Å; L131-S136 WeakPolarHBondContact O-CB 3.37Å; L131-S136 PolarHBondContact O-OG 2.88Å; H132-S136 VanDerWaalsContact CA-OG 3.32Å; H132-S136 WeakPolarHBondContact CA-OG 3.26Å; H132-S136 PolarHBondContact O-OG 2.74Å; K133-S136 PolarHBondContact N-OG 3.22Å; K133-S136 WeakPolarHBondContact O-CB 3.35Å; K133-S136 PolarHBondContact O-N 3.33Å; K133-S136 VanDerWaalsContact O-N 3.09Å; K133-S136 PolarHBondContact O-OG 3Å
137Q92.9Very high91.9Very high115 Ų11563.3 Ų63.354%0.53734%0.337SS..EExtended strand (participates in β ladder)trans-104.6125.1168-61.5-173.419.400109.7Y147 T148Q137-Y147 WeakPolarHBondContact O-CA 3Å; Q137-T148 PolarHBondContact N-O 3.01Å; Q137-T148 PolarHBondContact O-N 3.37Å
138L92.6Very high91.8Very high82 Ų8264 Ų6443%0.42934%0.341SS..EExtended strand (participates in β ladder)trans-95.5115.3175.5171.155.5000110.2L145 V146 Y147L138-L145 HydrophobicContact CD1-CB 3.97Å; L138-L145 HydrophobicContact CD1-CD2 4.41Å; L138-V146 WeakPolarHBondContact CA-O 3.42Å; L138-Y147 HydrophobicContact CB-CD1 4.09Å; L138-Y147 HydrophobicContact CB-CE1 3.92Å; L138-Y147 HydrophobicContact CD1-CD1 4.11Å; L138-Y147 HydrophobicContact CD1-CD2 4.35Å; L138-Y147 HydrophobicContact CD1-CE1 3.77Å; L138-Y147 HydrophobicContact CD1-CE2 4.04Å; L138-Y147 HydrophobicContact CD1-CG 4.4Å; L138-Y147 HydrophobicContact CD2-CE1 3.94Å; L138-Y147 HydrophobicContact CG-CE1 4.08Å
139T92.9Very high91.7Very high75 Ų7559.4 Ų59.446%0.4632%0.319SS..EExtended strand (participates in β ladder)trans-102.8130168.1-59.40000109.9V146T139-V146 PolarHBondContact N-O 2.84Å; T139-V146 PolarHBondContact O-N 2.96Å
140M91.8Very high91.6Very high124 Ų12462.3 Ų62.361%0.61133%0.331SS*.EExtended strand (participates in β ladder)trans-106.7115.3-179.8-179.6175.3-179.500109.6L145M140-L145 HydrophobicContact CB-CD2 4.2Å; M140-L145 HydrophobicContact CG-CD2 3.86Å
141T90.8Very high91.4Very high63 Ų6357.8 Ų57.839%0.38731%0.31SS..  trans-101.9176.9172.872.20000110.1D143 A144 R179T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 PolarHBondContact O-N 2.87Å; T141-A144 PolarHBondContact N-O 3.12Å; T141-A144 PolarHBondContact OG1-N 2.84Å; T141-A144 PolarHBondContact OG1-O 3.3Å; T141-R179 WeakPolarHBondContact O-CD 3.43Å; T141-R179 PolarHBondContact O-NH1 3.41Å
142D86.8Confident91.2Very high131 Ų13159.3 Ų59.370%0.70132%0.319SS*.SBendtrans-62.6-32.4179.6-72.9-50.4000113.7R179D142-R179 PolarHBondContact O-NH1 2.77Å
143D88Confident91Very high104 Ų10453.6 Ų53.656%0.55629%0.292SS*.SBendtrans-114-16.5-176-69.5-47.4000114.6T141 P178 R179 K180T141-D143 VanDerWaalsContact C-N 3.26Å; T141-D143 PolarHBondContact O-N 2.87Å; D143-P178 CarbonylContact O-C 3.54Å; D143-P178 WeakPolarHBondContact O-CA 3.22Å; D143-R179 PolarHBondContact O-N 3.36Å; D143-K180 IonicContact OD1-NZ 2.66Å; D143-K180 PolarHBondContact OD1-NZ 2.8Å
144A91.3Very high90.7Very high17 Ų1751.2 Ų51.214%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-137.2156.5-176.400000115T141 V146 Y177T141-A144 PolarHBondContact N-O 3.12Å; T141-A144 PolarHBondContact OG1-N 2.84Å; T141-A144 PolarHBondContact OG1-O 3.3Å; A144-V146 HydrophobicContact CB-CG2 4.38Å; A144-Y177 CarbonylContact C-O 3.54Å; A144-Y177 WeakPolarHBondContact CA-O 3.5Å
145L92.5Very high90.3Very high51 Ų5151.6 Ų51.627%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-103118.4160.9-59.1-177.7000107.3L138 M140 Y147 Y177 R179L138-L145 HydrophobicContact CD1-CB 3.97Å; L138-L145 HydrophobicContact CD1-CD2 4.41Å; M140-L145 HydrophobicContact CB-CD2 4.2Å; M140-L145 HydrophobicContact CG-CD2 3.86Å; L145-Y147 HydrophobicContact CB-CE2 4.17Å; L145-Y177 PolarHBondContact N-O 3.25Å; L145-Y177 PolarHBondContact O-N 3.48Å; L145-R179 HydrophobicContact CD2-CG 3.94Å; L145-R179 HydrophobicContact CG-CG 3.89Å
146V94.4Very high89.6Confident11 Ų1152.3 Ų52.37%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-108.9118.3-178.3-176.40000109L138 T139 A144 E174 C175 H176L138-V146 WeakPolarHBondContact CA-O 3.42Å; T139-V146 PolarHBondContact N-O 2.84Å; T139-V146 PolarHBondContact O-N 2.96Å; A144-V146 HydrophobicContact CB-CG2 4.38Å; V146-E174 HydrophobicContact CG1-CB 4.38Å; V146-C175 WeakPolarHBondContact CA-O 3.48Å; V146-H176 WeakPolarHBondContact CG1-NE2 3.36Å
147Y94.5Very high88.6Confident16 Ų1655.8 Ų55.86%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-102112174.7-67-86.9000109.5L131 H132 Q137 L138 L145 E174 C175 Y177L131-Y147 HydrophobicContact CB-CD1 4.02Å; L131-Y147 HydrophobicContact CB-CD2 4.35Å; L131-Y147 HydrophobicContact CB-CE1 3.95Å; L131-Y147 HydrophobicContact CB-CE2 4.28Å; L131-Y147 HydrophobicContact CB-CG 4.21Å; L131-Y147 HydrophobicContact CD1-CD2 4.33Å; L131-Y147 HydrophobicContact CD1-CE2 4.11Å; L131-Y147 HydrophobicContact CD2-CD2 4.27Å; L131-Y147 HydrophobicContact CD2-CG 4.28Å; L131-Y147 WeakPolarHBondContact O-CD1 3.47Å; L131-Y147 WeakPolarHBondContact O-CE1 3.18Å; H132-Y147 AromaticContact CE1-CE1 3.58Å; H132-Y147 AromaticContact CE1-CZ 3.82Å; H132-Y147 PolarHBondContact CE1-OH 2.82Å; H132-Y147 AromaticContact ND1-CE1 3.71Å; H132-Y147 PolarHBondContact NE2-OH 2.93Å; Q137-Y147 WeakPolarHBondContact O-CA 3Å; L138-Y147 HydrophobicContact CB-CD1 4.09Å; L138-Y147 HydrophobicContact CB-CE1 3.92Å; L138-Y147 HydrophobicContact CD1-CD1 4.11Å; L138-Y147 HydrophobicContact CD1-CD2 4.35Å; L138-Y147 HydrophobicContact CD1-CE1 3.77Å; L138-Y147 HydrophobicContact CD1-CE2 4.04Å; L138-Y147 HydrophobicContact CD1-CG 4.4Å; L138-Y147 HydrophobicContact CD2-CE1 3.94Å; L138-Y147 HydrophobicContact CG-CE1 4.08Å; L145-Y147 HydrophobicContact CB-CE2 4.17Å; Y147-E174 WeakPolarHBondContact O-CA 3.39Å; Y147-C175 PolarHBondContact N-O 2.83Å; Y147-C175 PolarHBondContact O-N 2.84Å; Y147-Y177 AromaticContact CD2-CD2 3.64Å; Y147-Y177 HydrophobicContact CD2-CD2 3.64Å; Y147-Y177 AromaticContact CD2-CE2 3.65Å; Y147-Y177 HydrophobicContact CD2-CE2 3.65Å; Y147-Y177 AromaticContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CE2 4.07Å
148T92.6Very high87.1Confident14 Ų1456.1 Ų56.19%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-105.1131.1-178-53.40000110.6Q137 F150 I172 V173 E174Q137-T148 PolarHBondContact N-O 3.01Å; Q137-T148 PolarHBondContact O-N 3.37Å; T148-F150 HydrophobicContact CG2-CE2 4.5Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; T148-I172 HydrophobicContact CG2-CG2 3.6Å; T148-V173 CarbonylContact C-O 3.57Å; T148-V173 WeakPolarHBondContact CA-O 3.49Å; T148-E174 HydrophobicContact CG2-CG 4.09Å; T148-E174 PolarHBondContact OG1-OE1 2.87Å
149Y92.2Very high85.9Confident1 Ų155.4 Ų55.40%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-121.8159.5174.2-59-100.3000110.6A88 L110 V129 E130 L131 V173A88-Y149 HydrophobicContact CB-CE2 3.91Å; L110-Y149 HydrophobicContact CD1-CG 4.41Å; L110-Y149 HydrophobicContact CG-CD1 4.41Å; V129-Y149 HydrophobicContact CG2-CD1 4.47Å; V129-Y149 HydrophobicContact CG2-CE1 3.7Å; E130-Y149 PolarHBondContact O-OH 2.8Å; L131-Y149 VanDerWaalsContact CA-OH 3.26Å; L131-Y149 WeakPolarHBondContact CA-OH 3.23Å; Y149-V173 HydrophobicContact CD2-CG1 4.31Å; Y149-V173 PolarHBondContact N-O 2.96Å; Y149-V173 PolarHBondContact O-N 2.79Å
150F90.1Very high84.2Confident70 Ų7060.3 Ų60.331%0.30734%0.344SS..EExtended strand (participates in β ladder)trans-119.3105.3174-61.2-82.7000109.5G111 T148 N152 I172G111-F150 WeakPolarHBondContact CA-O 3.32Å; G111-F150 PolarHBondContact N-O 3.08Å; T148-F150 HydrophobicContact CG2-CE2 4.5Å; T148-F150 HydrophobicContact CG2-CZ 4.3Å; F150-N152 PolarHBondContact O-N 3.17Å; F150-N152 PolarHBondContact O-ND2 3.25Å; F150-I172 HydrophobicContact CD1-CG1 4.13Å; F150-I172 HydrophobicContact CE1-CD1 4.24Å; F150-I172 HydrophobicContact CE1-CG1 3.95Å
151L89.8Confident82.6Confident0 Ų057.2 Ų57.20%033%0.332CS..EExtended strand (participates in β ladder)trans-79.4103.9171.9179.769.5000107.8V79 A92 L108 L110 Y127 V171V79-L151 HydrophobicContact CG1-CD2 3.99Å; V79-L151 HydrophobicContact CG2-CD2 3.85Å; A92-L151 HydrophobicContact CB-CD2 3.94Å; L108-L151 HydrophobicContact CD1-CD1 4.17Å; L108-L151 HydrophobicContact CD1-CG 4Å; L108-L151 HydrophobicContact CD2-CD1 4.02Å; L108-L151 HydrophobicContact CD2-CD2 4.3Å; L108-L151 HydrophobicContact CD2-CG 4.32Å; L108-L151 HydrophobicContact CG-CD1 3.82Å; L108-L151 HydrophobicContact CG-CG 4.18Å; L110-L151 HydrophobicContact CB-CD1 4.06Å; L110-L151 HydrophobicContact CD1-CB 3.92Å; L110-L151 HydrophobicContact CD1-CD1 4.12Å; Y127-L151 HydrophobicContact CE1-CD1 4.41Å; Y127-L151 HydrophobicContact CE2-CD1 4.03Å; L151-V171 HydrophobicContact CB-CB 4.23Å; L151-V171 PolarHBondContact N-O 3.23Å; L151-V171 PolarHBondContact O-N 3.01Å
152N88.9Confident81.2Confident43 Ų4359.7 Ų59.723%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-100.7118.5-169.3-68.4-49.3000110.7V109 F150V109-N152 PolarHBondContact N-O 3Å; V109-N152 PolarHBondContact O-N 3.03Å; F150-N152 PolarHBondContact O-N 3.17Å; F150-N152 PolarHBondContact O-ND2 3.25Å
153Y87.1Confident79.7Confident13 Ų1357.4 Ų57.45%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-91.9113.5168.5178.6-112.8000111L96 F97 I103 D107 L108 P155 Q168 A169L96-Y153 HydrophobicContact CD2-CD2 4.42Å; L96-Y153 HydrophobicContact CD2-CG 4.19Å; F97-Y153 AromaticContact CE2-CD1 3.82Å; F97-Y153 HydrophobicContact CE2-CD1 3.82Å; F97-Y153 AromaticContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CE1 3.66Å; F97-Y153 HydrophobicContact CE2-CG 4.46Å; F97-Y153 AromaticContact CZ-CD1 3.57Å; F97-Y153 HydrophobicContact CZ-CD1 3.57Å; F97-Y153 AromaticContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CE1 3.82Å; F97-Y153 HydrophobicContact CZ-CG 4.31Å; I103-Y153 HydrophobicContact CB-CE2 3.76Å; I103-Y153 HydrophobicContact CD1-CD2 4Å; I103-Y153 HydrophobicContact CD1-CE2 4.09Å; I103-Y153 HydrophobicContact CG1-CE2 4.46Å; I103-Y153 HydrophobicContact CG2-CD2 4.39Å; I103-Y153 HydrophobicContact CG2-CE2 3.71Å; D107-Y153 HydrophobicContact CB-CD2 4.1Å; D107-Y153 HydrophobicContact CB-CE2 3.62Å; D107-Y153 CarbonylContact O-C 3.54Å; D107-Y153 WeakPolarHBondContact O-CA 3.4Å; D107-Y153 WeakPolarHBondContact O-CD2 3.36Å; L108-Y153 HydrophobicContact CD1-CD2 4.26Å; L108-Y153 HydrophobicContact CD1-CG 4.49Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 HydrophobicContact CE1-CG 4.07Å; Y153-Q168 WeakPolarHBondContact O-CA 3.02Å; Y153-Q168 WeakPolarHBondContact O-CG 3.44Å; Y153-A169 PolarHBondContact N-O 3.17Å; Y153-A169 PolarHBondContact O-N 3.44Å
154S85.3Confident78.5Confident57 Ų5756.1 Ų56.140%0.39933%0.332SS..  trans-120.196176.756.30000110.3D107 S156D107-S154 WeakPolarHBondContact CB-O 3.44Å; D107-S154 PolarHBondContact O-N 3.47Å; S154-S156 PolarHBondContact O-N 3.34Å
155P81.9Confident77.3Confident27 Ų2763.7 Ų63.718%0.17536%0.357CS..PPolyproline II helixtrans-64132.2-175.123.7-33.1000112.5D107 Y153 V164 T166D107-P155 WeakPolarHBondContact OD2-CA 3.08Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 HydrophobicContact CE1-CG 4.07Å; P155-V164 HydrophobicContact CB-CG1 4.46Å; P155-V164 HydrophobicContact CG-CG1 3.74Å; P155-T166 WeakPolarHBondContact CB-OG1 3.42Å
156S74.7Confident76.1Confident60 Ų6063.6 Ų63.642%0.4236%0.359SS..PPolyproline II helixtrans-78.4151.3175.649.40000112.3N104 D107 S154 L158N104-S156 PolarHBondContact ND2-OG 2.04Å; D107-S156 VanDerWaalsContact CG-N 3.33Å; D107-S156 VanDerWaalsContact CG-OG 3.31Å; D107-S156 VanDerWaalsContact OD1-CB 3.27Å; D107-S156 WeakPolarHBondContact OD1-CB 3.41Å; D107-S156 PolarHBondContact OD1-N 3.09Å; D107-S156 PolarHBondContact OD1-OG 2.95Å; D107-S156 PolarHBondContact OD2-N 2.96Å; D107-S156 PolarHBondContact OD2-OG 2.88Å; D107-S156 VanDerWaalsContact OD2-OG 3.14Å; S154-S156 PolarHBondContact O-N 3.34Å; S156-L158 PolarHBondContact O-N 2.87Å
157N69.5Low74.8Confident98 Ų9867.4 Ų67.452%0.52438%0.382SS..PPolyproline II helixtrans-66.5131.4179.7-77.5-44.3000110.9G159N157-G159 PolarHBondContact O-N 2.86Å
158L61.1Low73.7Confident121 Ų12173 Ų7363%0.63441%0.409SS*.  trans-73.672.7175.3-67.3174.1000111.3S156 I160S156-L158 PolarHBondContact O-N 2.87Å; L158-I160 PolarHBondContact O-N 3.46Å
159G68.1Low72.5Confident67 Ų6773 Ų7369%0.69141%0.41SS*.THydrogen-bonded Turntrans61.9-114.3174.200000113.7N157 T161N157-G159 PolarHBondContact O-N 2.86Å; G159-T161 VanDerWaalsContact C-N 3.31Å; G159-T161 PolarHBondContact O-N 3.16Å
160I56.7Low71.8Confident178 Ų17876.9 Ų76.991%0.91344%0.436SS*.THydrogen-bonded Turntrans-77.8-14.2-164.4-59.1167.7000112.6L158L158-I160 PolarHBondContact O-N 3.46Å
161T59.1Low71.6Confident59 Ų5974.8 Ų74.836%0.36243%0.429SS..  trans-109.7131.6-178.262.20000112.5G159 I163G159-T161 VanDerWaalsContact C-N 3.31Å; G159-T161 PolarHBondContact O-N 3.16Å; T161-I163 HydrophobicContact CG2-CD1 4.32Å; T161-I163 PolarHBondContact O-N 2.65Å
162P60.4Low71.5Confident116 Ų11679.9 Ų79.975%0.75346%0.455SS*.  trans-78.140.4174.835.8-37.7000112.1
163I56.6Low71.6Confident82 Ų8278 Ų7842%0.42145%0.445SS..  trans-105.589.3-173.1-57.8172.2000108.9T161 R165T161-I163 HydrophobicContact CG2-CD1 4.32Å; T161-I163 PolarHBondContact O-N 2.65Å; I163-R165 HydrophobicContact CG2-CG 4.14Å
164V62.5Low71.8Confident78 Ų7881.6 Ų81.647%0.47346%0.462SS..  trans-73.5130.3167.4-179.10000108.7P155 T166P155-V164 HydrophobicContact CB-CG1 4.46Å; P155-V164 HydrophobicContact CG-CG1 3.74Å; V164-T166 WeakPolarHBondContact CG1-O 3.33Å
165R65.6Low72.2Confident175 Ų17578.9 Ų78.966%0.6644%0.443SS*.  trans-111.3-6.9-177.4-69.2-175.2175.779.4-4.5114.5I163I163-R165 HydrophobicContact CG2-CG 4.14Å
166T66.5Low72.7Confident50 Ų5082.9 Ų82.931%0.30746%0.459SS..SBendtrans-125.9142.9-178.840.10000109.8P155 V164P155-T166 WeakPolarHBondContact CB-OG1 3.42Å; V164-T166 WeakPolarHBondContact CG1-O 3.33Å
167T67.9Low73.5Confident90 Ų9081.9 Ų81.955%0.55245%0.447SS*.  trans-78.5142.7177.445.20000110.9A169T167-A169 PolarHBondContact O-N 2.81Å
168Q71.3Confident74.5Confident133 Ų13380.7 Ų80.762%0.62144%0.444SS*.  trans-58.5128.8167.2174.6168.122.800109.6Y153Y153-Q168 WeakPolarHBondContact O-CA 3.02Å; Y153-Q168 WeakPolarHBondContact O-CG 3.44Å
169A67.7Low75.8Confident15 Ų1579.9 Ų79.912%0.12443%0.433CS..EExtended strand (participates in β ladder)trans-127.7112.7-176.200000110V74 F97 Y153 T167V74-A169 HydrophobicContact CG2-CB 4.01Å; F97-A169 HydrophobicContact CE1-CB 4.2Å; F97-A169 HydrophobicContact CZ-CB 4.34Å; Y153-A169 PolarHBondContact N-O 3.17Å; Y153-A169 PolarHBondContact O-N 3.44Å; T167-A169 PolarHBondContact O-N 2.81Å
170P76.9Confident76.4Confident82 Ų8283.5 Ų83.553%0.53243%0.43SS..EExtended strand (participates in β ladder)trans-86.3120.8167.532.4-29.5000109.8
171V85.9Confident77.1Confident27 Ų2781.8 Ų81.816%0.16442%0.417CS..EExtended strand (participates in β ladder)trans-97.3127.4169.2-1770000108.3V74 V79 L151V74-V171 HydrophobicContact CB-CG2 3.84Å; V74-V171 HydrophobicContact CG1-CG2 3.71Å; V74-V171 HydrophobicContact CG2-CG2 3.93Å; V79-V171 HydrophobicContact CG2-CG1 4.34Å; L151-V171 HydrophobicContact CB-CB 4.23Å; L151-V171 PolarHBondContact N-O 3.23Å; L151-V171 PolarHBondContact O-N 3.01Å
172I88.4Confident77.8Confident106 Ų10686.9 Ų86.954%0.54444%0.442SS..EExtended strand (participates in β ladder)trans-83.9128.9177.1-51.1-178000108.5T148 F150 E174T148-I172 HydrophobicContact CG2-CG2 3.6Å; F150-I172 HydrophobicContact CD1-CG1 4.13Å; F150-I172 HydrophobicContact CE1-CD1 4.24Å; F150-I172 HydrophobicContact CE1-CG1 3.95Å; I172-E174 HydrophobicContact CG2-CG 4.09Å
173V89.8Confident78.2Confident4 Ų487.3 Ų87.32%0.02444%0.442CS..EExtended strand (participates in β ladder)trans-119.4127.7177.41630000108V79 V81 V90 T148 Y149V79-V173 HydrophobicContact CG1-CG2 4.26Å; V81-V173 HydrophobicContact CG1-CG1 3.89Å; V81-V173 HydrophobicContact CG2-CB 4.48Å; V81-V173 HydrophobicContact CG2-CG1 3.79Å; V81-V173 HydrophobicContact CG2-CG2 4.13Å; V90-V173 HydrophobicContact CG1-CG2 4.33Å; V90-V173 HydrophobicContact CG2-CG1 3.96Å; T148-V173 CarbonylContact C-O 3.57Å; T148-V173 WeakPolarHBondContact CA-O 3.49Å; Y149-V173 HydrophobicContact CD2-CG1 4.31Å; Y149-V173 PolarHBondContact N-O 2.96Å; Y149-V173 PolarHBondContact O-N 2.79Å
174E91.8Very high78.5Confident88 Ų8888.7 Ų88.741%0.41146%0.46SS..EExtended strand (participates in β ladder)trans-129.8135.1-178.4-59.7-162.2152.400112.8V146 Y147 T148 I172 H176V146-E174 HydrophobicContact CG1-CB 4.38Å; Y147-E174 WeakPolarHBondContact O-CA 3.39Å; T148-E174 HydrophobicContact CG2-CG 4.09Å; T148-E174 PolarHBondContact OG1-OE1 2.87Å; I172-E174 HydrophobicContact CG2-CG 4.09Å; E174-H176 IonicContact OE2-CD2 2.74Å; E174-H176 IonicContact OE2-CE1 2.72Å; E174-H176 IonicContact OE2-NE2 3.54Å; E174-H176 PolarHBondContact OE2-NE2 2.92Å
175C93.1Very high78.4Confident0 Ų090.2 Ų90.20%047%0.474CS..EExtended strand (participates in β ladder)trans-114.2124.8167.2-74.40000110.6C83 V146 Y147 Y177C83-C175 HydrophobicContact CB-CB 3.75Å; C83-C175 WeakPolarHBondContact CB-SG 3.41Å; C83-C175 WeakPolarHBondContact SG-CA 3.48Å; C83-C175 WeakPolarHBondContact SG-CB 3.36Å; C83-C175 CovalentContact SG-SG 2.04Å; C83-C175 PolarHBondContact SG-SG 3.48Å; V146-C175 WeakPolarHBondContact CA-O 3.48Å; Y147-C175 PolarHBondContact N-O 2.83Å; Y147-C175 PolarHBondContact O-N 2.84Å; C175-Y177 HydrophobicContact CB-CD2 4.45Å; C175-Y177 HydrophobicContact CB-CE2 3.52Å
176H93.2Very high78.2Confident111 Ų11189.1 Ų89.151%0.51448%0.48SS..EExtended strand (participates in β ladder)trans-110.8112.2-175.2-72.4-124.2000110.5V146 E174V146-H176 WeakPolarHBondContact CG1-NE2 3.36Å; E174-H176 IonicContact OE2-CD2 2.74Å; E174-H176 IonicContact OE2-CE1 2.72Å; E174-H176 IonicContact OE2-NE2 3.54Å; E174-H176 PolarHBondContact OE2-NE2 2.92Å
177Y91.8Very high77.6Confident40 Ų4092.7 Ų92.716%0.15750%0.504CS..EExtended strand (participates in β ladder)trans-109.6127.8179.9-59.2-86.4000111.2C83 R84 L131 A144 L145 Y147 C175C83-Y177 VanDerWaalsContact C-OH 3.32Å; C83-Y177 WeakPolarHBondContact CA-OH 3.41Å; C83-Y177 HydrophobicContact CB-CE1 4.41Å; C83-Y177 WeakPolarHBondContact CB-OH 3.38Å; R84-Y177 PolarHBondContact O-OH 3.21Å; L131-Y177 HydrophobicContact CD1-CD2 4.38Å; L131-Y177 HydrophobicContact CD1-CE1 4.43Å; L131-Y177 HydrophobicContact CD1-CE2 3.6Å; L131-Y177 HydrophobicContact CD2-CE2 3.82Å; L131-Y177 WeakPolarHBondContact CD2-OH 3.45Å; L131-Y177 HydrophobicContact CG-CE2 4.38Å; A144-Y177 CarbonylContact C-O 3.54Å; A144-Y177 WeakPolarHBondContact CA-O 3.5Å; L145-Y177 PolarHBondContact N-O 3.25Å; L145-Y177 PolarHBondContact O-N 3.48Å; Y147-Y177 AromaticContact CD2-CD2 3.64Å; Y147-Y177 HydrophobicContact CD2-CD2 3.64Å; Y147-Y177 AromaticContact CD2-CE2 3.65Å; Y147-Y177 HydrophobicContact CD2-CE2 3.65Å; Y147-Y177 AromaticContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CD2 3.8Å; Y147-Y177 HydrophobicContact CE2-CE2 4.07Å; C175-Y177 HydrophobicContact CB-CD2 4.45Å; C175-Y177 HydrophobicContact CB-CE2 3.52Å
178P90.9Very high76.9Confident73 Ų7396.3 Ų96.347%0.47452%0.519SS..EExtended strand (participates in β ladder)trans-69.1134.5-18027.7-33.2000111.5D143 K180 H181D143-P178 CarbonylContact O-C 3.54Å; D143-P178 WeakPolarHBondContact O-CA 3.22Å; P178-K180 PolarHBondContact O-N 3.23Å; P178-H181 PolarHBondContact O-NE2 3.18Å
179R87.3Confident75.7Confident104 Ų10498.6 Ų98.639%0.39253%0.53SS..SBendtrans-72.1-9.4-177-77178.860.2-160.3-9.4115T141 D142 D143 L145T141-R179 WeakPolarHBondContact O-CD 3.43Å; T141-R179 PolarHBondContact O-NH1 3.41Å; D142-R179 PolarHBondContact O-NH1 2.77Å; D143-R179 PolarHBondContact O-N 3.36Å; L145-R179 HydrophobicContact CD2-CG 3.94Å; L145-R179 HydrophobicContact CG-CG 3.89Å
180K80.7Confident74.7Confident143 Ų143102.3 Ų102.362%0.62255%0.553SS**  trans-132.7109.1-172.1-61.1162.2-165.6149.70108.2D143 P178D143-K180 IonicContact OD1-NZ 2.66Å; D143-K180 PolarHBondContact OD1-NZ 2.8Å; P178-K180 PolarHBondContact O-N 3.23Å
181H71.9Confident73.7Confident142 Ų142105.3 Ų105.366%0.65757%0.569SS**  trans-106.1138172.6-61.9-82.2000109.7P178P178-H181 PolarHBondContact O-NE2 3.18Å
182N74.1Confident72Confident165 Ų165113.8 Ų113.888%0.88260%0.598SS**  trans-82.1125.2168-1729.5000108.7
183V67.8Low70.5Confident125 Ų125114 Ų11476%0.75860%0.604SS**  trans-116112.6-179.9-70.10000110.2
184S63.7Low68.4Low112 Ų112116.8 Ų116.878%0.78362%0.623SS**  trans-94.7106.3172.256.80000109.7L186S184-L186 PolarHBondContact O-N 2.9Å
185S61.1Low66.4Low110 Ų110120.2 Ų120.277%0.76964%0.636SS**PPolyproline II helixtrans-67.4124.2160.1530000108.7
186L59.8Low64.4Low152 Ų152123.9 Ų123.980%0.79666%0.662SS**PPolyproline II helixtrans-57.8150.6161.4-73.7168000109.3S184 L188S184-L186 PolarHBondContact O-N 2.9Å; L186-L188 PolarHBondContact O-N 3Å; L186-L188 VanDerWaalsContact O-N 3.12Å
187P55.3Low62.4Low125 Ų125120.5 Ų120.581%0.81265%0.654SS**PPolyproline II helixtrans-55.3119.9178.9-25.434.9000111.4E189P187-E189 PolarHBondContact O-N 3.18Å
188L53Low60.5Low165 Ų165122 Ų12286%0.86467%0.666SS**PPolyproline II helixtrans-78.5116.3170.1-71.4171.5000108.1L186 P190L186-L188 PolarHBondContact O-N 3Å; L186-L188 VanDerWaalsContact O-N 3.12Å; L188-P190 WeakPolarHBondContact O-CD 3.4Å
189E45Very low58.6Low181 Ų181122.3 Ų122.385%0.84666%0.661SS**  trans-90.5108175.7-168166.1-125.200109.2P187 V191P187-E189 PolarHBondContact O-N 3.18Å; E189-V191 PolarHBondContact O-N 3.46Å
190P46.8Very low56.7Low94 Ų94124 Ų12461%0.6167%0.674SS**  trans-79.8105.1-171.231-33.9000111.3L188 W192L188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-W192 PolarHBondContact O-N 3.12Å
191V55.9Low55.2Low144 Ų144118.1 Ų118.187%0.87365%0.653SS**SBendtrans-62.7-11.9174.8-173.70000113E189E189-V191 PolarHBondContact O-N 3.46Å
192W51.7Low54.3Low205 Ų205115.9 Ų115.978%0.77764%0.642SS**  trans-115.2100.4-171.945.3-68.4000111.4P190 P194P190-W192 PolarHBondContact O-N 3.12Å; W192-P194 WeakPolarHBondContact O-CD 3.45Å
193V55.1Low53.4Low110 Ų110113.7 Ų113.767%0.66763%0.627SS**  trans-70.3117.2170.6-177.40000108.6A197 V198V193-A197 HydrophobicContact CG1-CB 3.92Å; V193-V198 HydrophobicContact CG1-CG2 4.13Å
194P46.8Very low53.1Low63 Ų63114.5 Ų114.541%0.40962%0.621SS.*  trans-72.5151.3-177.229.6-34.7000111.2W192 S196 A197 V198W192-P194 WeakPolarHBondContact O-CD 3.45Å; P194-S196 PolarHBondContact O-N 3.15Å; P194-S196 VanDerWaalsContact O-N 3.07Å; P194-A197 HydrophobicContact CG-CB 3.85Å; P194-A197 WeakPolarHBondContact O-CA 3.33Å; P194-A197 WeakPolarHBondContact O-CB 3.06Å; P194-A197 PolarHBondContact O-N 3.49Å; P194-V198 PolarHBondContact O-N 3.28Å; P194-V198 VanDerWaalsContact O-N 3.15Å
195F49.9Very low53.7Low160 Ų160110.3 Ų110.370%0.70259%0.589SS**Hα-helixtrans-59.6-24.2-179.5-158.6-89.3000113.2V198 K199F195-V198 PolarHBondContact O-N 3.07Å; F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CE1-CG 4.09Å; F195-K199 PolarHBondContact O-N 3.47Å
196S50.3Low54.8Low78 Ų78111 Ų11155%0.54558%0.576SS.*Hα-helixtrans-69-35.6170.749.20000113.4P194 K199 M200P194-S196 PolarHBondContact O-N 3.15Å; P194-S196 VanDerWaalsContact O-N 3.07Å; S196-K199 PolarHBondContact O-N 3.12Å; S196-M200 WeakPolarHBondContact O-CG 3.03Å; S196-M200 PolarHBondContact O-N 3.06Å
197A51.1Low56.4Low40 Ų40105 Ų10533%0.33154%0.543SS..Hα-helixtrans-69.8-37.8172.100000110.8V193 P194 A201V193-A197 HydrophobicContact CG1-CB 3.92Å; P194-A197 HydrophobicContact CG-CB 3.85Å; P194-A197 WeakPolarHBondContact O-CA 3.33Å; P194-A197 WeakPolarHBondContact O-CB 3.06Å; P194-A197 PolarHBondContact O-N 3.49Å; A197-A201 WeakPolarHBondContact O-CB 3.24Å; A197-A201 PolarHBondContact O-N 2.87Å
198V52.5Low58.2Low70 Ų70100.5 Ų100.542%0.42451%0.513SS..Hα-helixtrans-60.5-44.8171.3-177.10000110.8V193 P194 F195 A201 E202V193-V198 HydrophobicContact CG1-CG2 4.13Å; P194-V198 PolarHBondContact O-N 3.28Å; P194-V198 VanDerWaalsContact O-N 3.15Å; F195-V198 PolarHBondContact O-N 3.07Å; V198-A201 CarbonylContact O-C 3.48Å; V198-A201 WeakPolarHBondContact O-CA 3.31Å; V198-A201 PolarHBondContact O-N 2.73Å; V198-E202 PolarHBondContact O-N 3.31Å
199K50Low60.2Low81 Ų8193.1 Ų93.135%0.35248%0.475SS..Hα-helixtrans-67.4-42.8178.1-89.4-72.6171.4-161.50114F195 S196 A201 E202 E203F195-K199 HydrophobicContact CD1-CG 4.26Å; F195-K199 HydrophobicContact CE1-CG 4.09Å; F195-K199 PolarHBondContact O-N 3.47Å; S196-K199 PolarHBondContact O-N 3.12Å; K199-A201 PolarHBondContact O-N 3.3Å; K199-E202 WeakPolarHBondContact CD-OE2 3.1Å; K199-E202 WeakPolarHBondContact CE-OE2 3.42Å; K199-E202 IonicContact NZ-OE1 3.46Å; K199-E202 PolarHBondContact NZ-OE1 2.94Å; K199-E202 IonicContact NZ-OE2 2.66Å; K199-E202 PolarHBondContact NZ-OE2 3.12Å; K199-E202 WeakPolarHBondContact O-CA 3.47Å; K199-E202 VanDerWaalsContact O-CB 3.29Å; K199-E202 WeakPolarHBondContact O-CB 3.28Å; K199-E202 PolarHBondContact O-N 3.46Å; K199-E203 WeakPolarHBondContact O-CG 3.39Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-E203 VanDerWaalsContact O-N 3.07Å
200M48.5Very low62.6Low139 Ų13987.4 Ų87.469%0.68545%0.447SS*.Hα-helixtrans-68.6-22.3173.4-65.1-159.5-54.800112.4S196 E202S196-M200 WeakPolarHBondContact O-CG 3.03Å; S196-M200 PolarHBondContact O-N 3.06Å; M200-E202 VanDerWaalsContact C-N 3.3Å
201A49.2Very low65Low20 Ų2083 Ų8317%0.16542%0.418CS..Hα-helixtrans-83.70.6167.500000114.1A197 V198 K199 H242A197-A201 WeakPolarHBondContact O-CB 3.24Å; A197-A201 PolarHBondContact O-N 2.87Å; V198-A201 CarbonylContact O-C 3.48Å; V198-A201 WeakPolarHBondContact O-CA 3.31Å; V198-A201 PolarHBondContact O-N 2.73Å; K199-A201 PolarHBondContact O-N 3.3Å; A201-H242 VanDerWaalsContact C-CE1 3.45Å; A201-H242 WeakPolarHBondContact CA-CE1 3.01Å; A201-H242 HydrophobicContact CB-CB 4.45Å; A201-H242 PolarHBondContact O-CE1 3.15Å; A201-H242 PolarHBondContact O-ND1 3.45Å
202E52.6Low66.9Low94 Ų9476.6 Ų76.644%0.43938%0.379SS..Hα-helixtrans-103.3-29.9173.9-159.2-174.3135.800111V198 K199 M200V198-E202 PolarHBondContact O-N 3.31Å; K199-E202 WeakPolarHBondContact CD-OE2 3.1Å; K199-E202 WeakPolarHBondContact CE-OE2 3.42Å; K199-E202 IonicContact NZ-OE1 3.46Å; K199-E202 PolarHBondContact NZ-OE1 2.94Å; K199-E202 IonicContact NZ-OE2 2.66Å; K199-E202 PolarHBondContact NZ-OE2 3.12Å; K199-E202 WeakPolarHBondContact O-CA 3.47Å; K199-E202 VanDerWaalsContact O-CB 3.29Å; K199-E202 WeakPolarHBondContact O-CB 3.28Å; K199-E202 PolarHBondContact O-N 3.46Å; M200-E202 VanDerWaalsContact C-N 3.3Å
203E55.8Low68.9Low119 Ų11968.3 Ų68.356%0.55635%0.351SS*.Hα-helixtrans-73.2-43.8-166.2-80.3171.9174.400115.2K199K199-E203 WeakPolarHBondContact O-CG 3.39Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-E203 VanDerWaalsContact O-N 3.07Å
204F60.6Low70.6Confident143 Ų14367.8 Ų67.863%0.62735%0.345SS*.  trans-148.5103.8177.4-64.2-75.3000114.3Y206F204-Y206 HydrophobicContact CB-CD2 4.46Å; F204-Y206 HydrophobicContact CB-CE2 3.75Å
205L75.9Confident72.8Confident23 Ų2369 Ų6912%0.1235%0.348CS..  trans-84.7131.8158-80.3-178.5000110.7V237 H242 L245 A321 W409L205-V237 HydrophobicContact CB-CG2 4.22Å; L205-V237 HydrophobicContact CD1-CG2 3.98Å; L205-V237 HydrophobicContact CD2-CG2 4.13Å; L205-V237 HydrophobicContact CG-CG2 4.37Å; L205-H242 WeakPolarHBondContact CD2-CE1 3.01Å; L205-H242 WeakPolarHBondContact CD2-ND1 3.36Å; L205-L245 HydrophobicContact CD1-CD1 3.35Å; L205-L245 HydrophobicContact CD2-CD1 3.74Å; L205-L245 HydrophobicContact CG-CD1 4.21Å; L205-A321 HydrophobicContact CD1-CB 4.35Å; L205-W409 HydrophobicContact CD1-CB 3.69Å; L205-W409 HydrophobicContact CD1-CD2 3.5Å; L205-W409 VanDerWaalsContact CD1-CD2 3.5Å; L205-W409 HydrophobicContact CD1-CE3 3.99Å; L205-W409 HydrophobicContact CD1-CG 3.39Å; L205-W409 HydrophobicContact CG-CD2 4.5Å; L205-W409 HydrophobicContact CG-CG 4.23Å
206Y85.8Confident74.8Confident125 Ų12563.1 Ų63.149%0.4932%0.321SS..EExtended strand (participates in β ladder)trans-98.997176.8-66.2-93.2000109.7F204 K238 Y240F204-Y206 HydrophobicContact CB-CD2 4.46Å; F204-Y206 HydrophobicContact CB-CE2 3.75Å; Y206-K238 PolarHBondContact O-N 3.47Å; Y206-Y240 AromaticContact CD2-CE2 3.84Å; Y206-Y240 HydrophobicContact CD2-CE2 3.84Å
207F92.6Very high76.7Confident25 Ų2565.7 Ų65.711%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-65.4149.9162.3-63.1-82.1000110.1T236 V237 V247 L319 A321 W409 V413F207-T236 CarbonylContact C-O 3.57Å; F207-T236 WeakPolarHBondContact CA-O 3.36Å; F207-V237 HydrophobicContact CD1-CB 4.1Å; F207-V237 HydrophobicContact CD1-CG2 4.02Å; F207-V237 HydrophobicContact CE1-CB 4.19Å; F207-V237 HydrophobicContact CE1-CG2 3.93Å; F207-V237 HydrophobicContact CZ-CG2 4.41Å; F207-V247 HydrophobicContact CD1-CG2 4.24Å; F207-V247 HydrophobicContact CE1-CG2 4.17Å; F207-L319 HydrophobicContact CB-CD1 3.8Å; F207-L319 HydrophobicContact CD1-CB 3.68Å; F207-L319 HydrophobicContact CD1-CD1 4.12Å; F207-L319 HydrophobicContact CE1-CB 3.95Å; F207-L319 HydrophobicContact CG-CB 4.09Å; F207-L319 HydrophobicContact CG-CD1 4.19Å; F207-A321 HydrophobicContact CE1-CB 3.88Å; F207-A321 HydrophobicContact CZ-CB 3.91Å; F207-W409 HydrophobicContact CZ-CB 4.42Å; F207-V413 HydrophobicContact CB-CG2 3.9Å
208T93.9Very high78.7Confident31 Ų3168.4 Ų68.419%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-149.6123.9176.8-62.30000109K210 T236T208-K210 HydrophobicContact CG2-CG 4.15Å; T208-T236 PolarHBondContact N-O 2.77Å; T208-T236 PolarHBondContact O-N 2.82Å; T208-T236 PolarHBondContact O-OG1 2.82Å
209M95Very high80.6Confident11 Ų1169.5 Ų69.55%0.05434%0.337CS..EExtended strand (participates in β ladder)trans-99.5146.5167.8-64.1177.366.300109.8I233 E234 V235 I315 C317 L319 V413 L415M209-I233 HydrophobicContact CE-CG2 3.73Å; M209-E234 CarbonylContact C-O 3.57Å; M209-E234 VanDerWaalsContact CA-O 3.29Å; M209-E234 WeakPolarHBondContact CA-O 3.47Å; M209-V235 HydrophobicContact CG-CG2 4.22Å; M209-I315 HydrophobicContact CE-CG2 4.41Å; M209-C317 HydrophobicContact CE-CB 3.99Å; M209-C317 WeakPolarHBondContact CE-SG 3.4Å; M209-C317 HydrophobicContact SD-CB 3.78Å; M209-L319 HydrophobicContact CG-CD1 3.95Å; M209-L319 HydrophobicContact SD-CD1 4.34Å; M209-V413 HydrophobicContact CB-CG1 3.82Å; M209-V413 HydrophobicContact CG-CB 3.93Å; M209-V413 HydrophobicContact CG-CG1 3.64Å; M209-V413 HydrophobicContact SD-CB 3.74Å; M209-V413 HydrophobicContact SD-CG1 3.79Å; M209-V413 VanDerWaalsContact SD-O 3.39Å; M209-L415 HydrophobicContact CB-CD1 3.99Å; M209-L415 HydrophobicContact CB-CD2 3.93Å; M209-L415 HydrophobicContact CB-CG 3.85Å; M209-L415 HydrophobicContact CE-CD1 3.84Å; M209-L415 HydrophobicContact CE-CG 4.09Å
210K95.3Very high82.5Confident61 Ų6167.5 Ų67.527%0.26533%0.327SS..EExtended strand (participates in β ladder)trans-139.2149.5177.6-66.1-169.1169.6-152.90111.3T208 M212 E219 I233 E234T208-K210 HydrophobicContact CG2-CG 4.15Å; K210-M212 HydrophobicContact CB-SD 3.92Å; K210-E219 HydrophobicContact CB-CG 4.5Å; K210-E219 HydrophobicContact CD-CB 4.46Å; K210-E219 HydrophobicContact CD-CG 4.21Å; K210-E219 WeakPolarHBondContact CE-OE2 3.3Å; K210-E219 IonicContact NZ-OE2 2.68Å; K210-E219 PolarHBondContact NZ-OE2 2.9Å; K210-I233 WeakPolarHBondContact O-CA 3.4Å; K210-E234 PolarHBondContact N-O 3.33Å; K210-E234 PolarHBondContact O-N 2.96Å
211L95.9Very high84.4Confident0 Ų066.8 Ų66.80%033%0.333CS..EExtended strand (participates in β ladder)trans-89130.4163.8-65174.8000108.6E219 R220 Y223 Y225 I231 R232 I233 L415 I418L211-E219 CarbonylContact O-C 3.54Å; L211-E219 WeakPolarHBondContact O-CA 3.43Å; L211-R220 HydrophobicContact CB-CB 4.32Å; L211-R220 PolarHBondContact O-N 3.36Å; L211-Y223 HydrophobicContact CB-CE1 4.46Å; L211-Y223 HydrophobicContact CD1-CD1 3.66Å; L211-Y223 HydrophobicContact CD1-CD2 3.77Å; L211-Y223 HydrophobicContact CD1-CE1 3.94Å; L211-Y223 HydrophobicContact CD1-CE2 4.04Å; L211-Y223 HydrophobicContact CD1-CG 3.57Å; L211-Y225 HydrophobicContact CD1-CE2 4.26Å; L211-I231 HydrophobicContact CD2-CG2 3.57Å; L211-R232 WeakPolarHBondContact CA-O 3.36Å; L211-I233 HydrophobicContact CD2-CG1 3.98Å; L211-L415 HydrophobicContact CD2-CD1 3.92Å; L211-L415 HydrophobicContact CG-CD1 4.14Å; L211-I418 HydrophobicContact CD1-CD1 4.17Å; L211-I418 HydrophobicContact CD1-CG1 4.32Å; L211-I418 HydrophobicContact CD2-CD1 4.28Å
212M95.5Very high86.2Confident10 Ų1068.8 Ų68.85%0.04935%0.346CS..BIsolated β-bridgetrans-110.7157.7-172.7-58.9-58.5-76.400112.8K210 W216 N218 R232 E234K210-M212 HydrophobicContact CB-SD 3.92Å; M212-W216 HydrophobicContact CB-CE3 3.95Å; M212-W216 HydrophobicContact CB-CZ3 4.34Å; M212-W216 WeakPolarHBondContact CE-O 3.47Å; M212-W216 HydrophobicContact CG-CE3 4.05Å; M212-W216 HydrophobicContact CG-CZ3 4.32Å; M212-N218 WeakPolarHBondContact CA-O 3.32Å; M212-N218 WeakPolarHBondContact CE-O 3.35Å; M212-R232 HydrophobicContact CB-CB 4.12Å; M212-R232 PolarHBondContact N-O 3.15Å; M212-E234 HydrophobicContact CG-CB 3.51Å; M212-E234 HydrophobicContact SD-CB 3.87Å
213T94.3Very high87.9Confident31 Ų3168.2 Ų68.219%0.1934%0.34CS..  trans-70.4163.1168.548.50000111.8D215 W216 N218 R232T213-D215 VanDerWaalsContact CB-OD1 3.28Å; T213-D215 WeakPolarHBondContact CB-OD1 3.36Å; T213-D215 PolarHBondContact O-N 2.96Å; T213-D215 VanDerWaalsContact O-N 3.17Å; T213-D215 PolarHBondContact OG1-OD1 2.71Å; T213-W216 PolarHBondContact O-N 3.35Å; T213-N218 HydrophobicContact CG2-CB 4.05Å; T213-N218 PolarHBondContact N-O 3.16Å; T213-N218 PolarHBondContact OG1-N 3.04Å; T213-N218 VanDerWaalsContact OG1-N 3.1Å; T213-N218 PolarHBondContact OG1-O 2.95Å; T213-N218 VanDerWaalsContact OG1-O 3.07Å; T213-R232 WeakPolarHBondContact O-CD 3.31Å
214D91.3Very high89.5Confident99 Ų9966.8 Ų66.853%0.52933%0.334SS..THydrogen-bonded Turntrans-66.1-18-173.4-83-72.4000115.6R232D214-R232 IonicContact OD1-CZ 3.94Å; D214-R232 IonicContact OD1-NE 3.3Å; D214-R232 PolarHBondContact OD1-NE 3.09Å; D214-R232 IonicContact OD1-NH2 2.78Å; D214-R232 PolarHBondContact OD1-NH2 2.82Å
215D92Very high91Very high89 Ų8960 Ų6048%0.47630%0.304SS..THydrogen-bonded Turntrans-89.7-2.2173.260.23.1000113.7T213 L217T213-D215 VanDerWaalsContact CB-OD1 3.28Å; T213-D215 WeakPolarHBondContact CB-OD1 3.36Å; T213-D215 PolarHBondContact O-N 2.96Å; T213-D215 VanDerWaalsContact O-N 3.17Å; T213-D215 PolarHBondContact OG1-OD1 2.71Å; D215-L217 HydrophobicContact CB-CD1 4.3Å; D215-L217 HydrophobicContact CB-CG 4.02Å; D215-L217 PolarHBondContact O-N 3.07Å; D215-L217 PolarHBondContact OD1-N 3.26Å
216W92.1Very high91.8Very high37 Ų3762.1 Ų62.114%0.1431%0.312CS..SBendtrans58.612.5-171.7-5891.1000115.5M212 T213 R232 M288 Q297 F298 Q299M212-W216 HydrophobicContact CB-CE3 3.95Å; M212-W216 HydrophobicContact CB-CZ3 4.34Å; M212-W216 WeakPolarHBondContact CE-O 3.47Å; M212-W216 HydrophobicContact CG-CE3 4.05Å; M212-W216 HydrophobicContact CG-CZ3 4.32Å; T213-W216 PolarHBondContact O-N 3.35Å; W216-R232 HydrophobicContact CE3-CB 4.27Å; W216-R232 HydrophobicContact CH2-CB 3.6Å; W216-R232 HydrophobicContact CH2-CG 3.9Å; W216-R232 HydrophobicContact CZ2-CB 3.93Å; W216-R232 HydrophobicContact CZ2-CG 3.71Å; W216-R232 HydrophobicContact CZ3-CB 3.78Å; W216-R232 HydrophobicContact CZ3-CG 4.47Å; W216-M288 HydrophobicContact CH2-CG 3.93Å; W216-M288 HydrophobicContact CZ2-CE 4.48Å; W216-M288 HydrophobicContact CZ2-CG 3.45Å; W216-M288 VanDerWaalsContact CZ2-CG 3.45Å; W216-M288 HydrophobicContact CZ2-SD 3.78Å; W216-Q297 HydrophobicContact CE3-CB 3.99Å; W216-Q297 VanDerWaalsContact CE3-CD 3.49Å; W216-Q297 HydrophobicContact CE3-CG 3.75Å; W216-Q297 HydrophobicContact CH2-CB 3.96Å; W216-Q297 HydrophobicContact CZ3-CB 3.6Å; W216-Q297 HydrophobicContact CZ3-CG 3.74Å; W216-F298 WeakPolarHBondContact CH2-O 3.28Å; W216-Q299 HydrophobicContact CZ2-CB 4.5Å
217L90.8Very high92Very high131 Ų13158.9 Ų58.969%0.68630%0.303SS*.SBendtrans-85.9-25.9-175.1-62.1-176000113.8D215D215-L217 HydrophobicContact CB-CD1 4.3Å; D215-L217 HydrophobicContact CB-CG 4.02Å; D215-L217 PolarHBondContact O-N 3.07Å; D215-L217 PolarHBondContact OD1-N 3.26Å
218N92.7Very high91.8Very high97 Ų9759.9 Ų59.952%0.51932%0.32SS..SBendtrans-138.1157.7-171.3-64-86.6000112.4M212 T213M212-N218 WeakPolarHBondContact CA-O 3.32Å; M212-N218 WeakPolarHBondContact CE-O 3.35Å; T213-N218 HydrophobicContact CG2-CB 4.05Å; T213-N218 PolarHBondContact N-O 3.16Å; T213-N218 PolarHBondContact OG1-N 3.04Å; T213-N218 VanDerWaalsContact OG1-N 3.1Å; T213-N218 PolarHBondContact OG1-O 2.95Å; T213-N218 VanDerWaalsContact OG1-O 3.07Å
219E93.3Very high91.8Very high93 Ų9360.2 Ų60.244%0.43532%0.321SS..BIsolated β-bridgetrans-72.8133167.7-173166.9-168.400109.8K210 L211K210-E219 HydrophobicContact CB-CG 4.5Å; K210-E219 HydrophobicContact CD-CB 4.46Å; K210-E219 HydrophobicContact CD-CG 4.21Å; K210-E219 WeakPolarHBondContact CE-OE2 3.3Å; K210-E219 IonicContact NZ-OE2 2.68Å; K210-E219 PolarHBondContact NZ-OE2 2.9Å; L211-E219 CarbonylContact O-C 3.54Å; L211-E219 WeakPolarHBondContact O-CA 3.43Å
220R90.4Very high91.7Very high39 Ų3961.5 Ų61.515%0.14733%0.328CS..  trans-75.7121.4-171.3-171.3-178.9169.6124.9-13.7110.4L211 S222 Q224 Y225L211-R220 HydrophobicContact CB-CB 4.32Å; L211-R220 PolarHBondContact O-N 3.36Å; R220-S222 VanDerWaalsContact CD-O 3.3Å; R220-S222 WeakPolarHBondContact CD-O 3.41Å; R220-S222 WeakPolarHBondContact CG-O 3.42Å; R220-S222 PolarHBondContact NE-O 2.7Å; R220-S222 PolarHBondContact O-N 2.78Å; R220-Q224 PolarHBondContact NH2-O 2.81Å; R220-Y225 WeakPolarHBondContact CD-OH 3.41Å
221P87.1Confident91.8Very high125 Ų12558.6 Ų58.681%0.81232%0.315SS*.SBendtrans-73.6-8.9-175.930.4-36.8000114.2
222S86.9Confident91.8Very high61 Ų6160 Ų6043%0.42732%0.32SS..  trans-130.4120.3178.957.20000111.4R220 Q224R220-S222 VanDerWaalsContact CD-O 3.3Å; R220-S222 WeakPolarHBondContact CD-O 3.41Å; R220-S222 WeakPolarHBondContact CG-O 3.42Å; R220-S222 PolarHBondContact NE-O 2.7Å; R220-S222 PolarHBondContact O-N 2.78Å; S222-Q224 PolarHBondContact O-N 3.06Å; S222-Q224 VanDerWaalsContact O-N 3.14Å
223Y88.3Confident91.9Very high82 Ų8259.5 Ų59.532%0.32232%0.318SS..  trans-80.813.9178.6-72.120.7000112.1L211 Y225 I418 P419L211-Y223 HydrophobicContact CB-CE1 4.46Å; L211-Y223 HydrophobicContact CD1-CD1 3.66Å; L211-Y223 HydrophobicContact CD1-CD2 3.77Å; L211-Y223 HydrophobicContact CD1-CE1 3.94Å; L211-Y223 HydrophobicContact CD1-CE2 4.04Å; L211-Y223 HydrophobicContact CD1-CG 3.57Å; Y223-Y225 WeakPolarHBondContact O-CD2 3.45Å; Y223-I418 WeakPolarHBondContact O-CG2 3.38Å; Y223-P419 VanDerWaalsContact O-CD 3.3Å; Y223-P419 WeakPolarHBondContact O-CD 3.35Å
224Q90.4Very high92Very high90 Ų9059.1 Ų59.142%0.42131%0.314SS..  trans-93.5131.6-178.1-175.2171.376.800110.7R220 S222 P419 M421R220-Q224 PolarHBondContact NH2-O 2.81Å; S222-Q224 PolarHBondContact O-N 3.06Å; S222-Q224 VanDerWaalsContact O-N 3.14Å; Q224-P419 WeakPolarHBondContact CA-O 3.29Å; Q224-P419 HydrophobicContact CB-CG 4.14Å; Q224-P419 HydrophobicContact CG-CG 4.41Å; Q224-M421 HydrophobicContact CG-CE 3.76Å; Q224-M421 HydrophobicContact CG-SD 4.38Å; Q224-M421 PolarHBondContact NE2-SD 3.42Å; Q224-M421 VanDerWaalsContact NE2-SD 3.39Å
225Y92.5Very high92.3Very high0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-133.5168.6178.8-68-95.2000109.6L211 R220 Y223 D229 I231 I418 P419 I420 M421L211-Y225 HydrophobicContact CD1-CE2 4.26Å; R220-Y225 WeakPolarHBondContact CD-OH 3.41Å; Y223-Y225 WeakPolarHBondContact O-CD2 3.45Å; Y225-D229 HydrophobicContact CD1-CB 4.01Å; Y225-I231 HydrophobicContact CD1-CG1 3.93Å; Y225-I231 HydrophobicContact CD2-CG1 4.34Å; Y225-I231 HydrophobicContact CE1-CB 4.2Å; Y225-I231 HydrophobicContact CE1-CG1 4.02Å; Y225-I231 HydrophobicContact CE1-CG2 4.36Å; Y225-I231 HydrophobicContact CE2-CG1 4.43Å; Y225-I231 HydrophobicContact CE2-CG2 4.18Å; Y225-I231 HydrophobicContact CG-CG1 4.09Å; Y225-I418 HydrophobicContact CD2-CG2 3.66Å; Y225-I418 HydrophobicContact CE2-CG2 4.04Å; Y225-P419 PolarHBondContact N-O 2.74Å; Y225-I420 WeakPolarHBondContact O-CA 3.43Å; Y225-M421 PolarHBondContact O-N 3.17Å
226F91.9Very high92.5Very high67 Ų6751.3 Ų51.329%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-120.8160169.4-62.3-97.6000110.8G228 D229 A302 M421 K423F226-G228 PolarHBondContact O-N 3.43Å; F226-D229 PolarHBondContact N-OD2 3.29Å; F226-D229 VanDerWaalsContact O-CB 3.24Å; F226-D229 WeakPolarHBondContact O-CB 3.5Å; F226-D229 VanDerWaalsContact O-CG 3.3Å; F226-D229 PolarHBondContact O-N 3.43Å; F226-A302 VanDerWaalsContact O-CB 3.31Å; F226-A302 WeakPolarHBondContact O-CB 3.31Å; F226-M421 CarbonylContact C-O 3.49Å; F226-M421 WeakPolarHBondContact CA-O 3.43Å; F226-M421 HydrophobicContact CD1-CB 3.85Å; F226-M421 HydrophobicContact CD1-CE 4.28Å; F226-M421 HydrophobicContact CE1-CB 4.03Å; F226-M421 HydrophobicContact CE1-CE 3.5Å; F226-M421 HydrophobicContact CE2-CE 4.24Å; F226-M421 HydrophobicContact CZ-CE 3.47Å; F226-M421 VanDerWaalsContact CZ-CE 3.47Å; F226-K423 HydrophobicContact CB-CD 4.25Å; F226-K423 HydrophobicContact CB-CG 3.6Å; F226-K423 HydrophobicContact CD1-CG 3.84Å; F226-K423 HydrophobicContact CG-CG 3.91Å
227L90.8Very high92.5Very high58 Ų5849.6 Ų49.630%0.30427%0.267SS..THydrogen-bonded Turntrans-54.4134.1172.1-64178.4000111D229 A302 R304 I420 M421 E422 K423L227-D229 VanDerWaalsContact C-N 3.31Å; L227-A302 WeakPolarHBondContact CD2-O 3.49Å; L227-R304 HydrophobicContact CD2-CB 4.32Å; L227-R304 HydrophobicContact CD2-CG 4.13Å; L227-I420 HydrophobicContact CD2-CG2 3.71Å; L227-I420 HydrophobicContact CG-CG2 4.33Å; L227-M421 PolarHBondContact N-O 3.48Å; L227-E422 HydrophobicContact CD1-CG 3.99Å; L227-K423 PolarHBondContact O-NZ 3.21Å
228G88.2Confident92.3Very high45 Ų4547.8 Ų47.846%0.46425%0.253SS..THydrogen-bonded Turntrans72.914.8-173.600000115F226F226-G228 PolarHBondContact O-N 3.43Å
229D92.8Very high91.5Very high38 Ų3846.4 Ų46.420%0.20324%0.244CC..  trans-86.8155.8161-65.2-6.2000110.1Y225 F226 L227 A302 K423Y225-D229 HydrophobicContact CD1-CB 4.01Å; F226-D229 PolarHBondContact N-OD2 3.29Å; F226-D229 VanDerWaalsContact O-CB 3.24Å; F226-D229 WeakPolarHBondContact O-CB 3.5Å; F226-D229 VanDerWaalsContact O-CG 3.3Å; F226-D229 PolarHBondContact O-N 3.43Å; L227-D229 VanDerWaalsContact C-N 3.31Å; D229-A302 HydrophobicContact CB-CB 4.46Å; D229-A302 WeakPolarHBondContact O-CB 3.45Å; D229-A302 PolarHBondContact O-N 3.22Å; D229-K423 VanDerWaalsContact OD1-CE 3.27Å; D229-K423 WeakPolarHBondContact OD1-CE 3.38Å; D229-K423 IonicContact OD1-NZ 2.7Å; D229-K423 PolarHBondContact OD1-NZ 3.24Å
230L94.5Very high90.5Very high38 Ų3848.8 Ų48.820%0.19925%0.25CC..EExtended strand (participates in β ladder)trans-95.3115.4173.8-67.5170.3000110.9R232 D284 E301L230-R232 PolarHBondContact O-N 3.22Å; L230-D284 HydrophobicContact CD2-CB 4.41Å; L230-E301 HydrophobicContact CD2-CB 4.27Å; L230-E301 HydrophobicContact CD2-CG 4.48Å
231I95.7Very high89.5Confident0 Ų056.7 Ų56.70%029%0.286CS..EExtended strand (participates in β ladder)trans-77.3105.6170.9-49.7178.1000107.8L211 Y225 I233 Q299 L300 A302 I313 I420L211-I231 HydrophobicContact CD2-CG2 3.57Å; Y225-I231 HydrophobicContact CD1-CG1 3.93Å; Y225-I231 HydrophobicContact CD2-CG1 4.34Å; Y225-I231 HydrophobicContact CE1-CB 4.2Å; Y225-I231 HydrophobicContact CE1-CG1 4.02Å; Y225-I231 HydrophobicContact CE1-CG2 4.36Å; Y225-I231 HydrophobicContact CE2-CG1 4.43Å; Y225-I231 HydrophobicContact CE2-CG2 4.18Å; Y225-I231 HydrophobicContact CG-CG1 4.09Å; I231-I233 HydrophobicContact CG2-CD1 4.19Å; I231-I233 HydrophobicContact CG2-CG1 4.04Å; I231-Q299 WeakPolarHBondContact O-CA 3.48Å; I231-L300 WeakPolarHBondContact CA-O 3.25Å; I231-L300 HydrophobicContact CB-CB 4.4Å; I231-L300 WeakPolarHBondContact CB-O 3.48Å; I231-L300 PolarHBondContact N-O 2.97Å; I231-L300 PolarHBondContact O-N 2.77Å; I231-A302 HydrophobicContact CD1-CB 4.05Å; I231-A302 HydrophobicContact CG1-CB 4Å; I231-I313 HydrophobicContact CD1-CD1 4.43Å; I231-I420 HydrophobicContact CD1-CD1 3.94Å
232R96.6Very high88.8Confident30 Ų3052.2 Ų52.211%0.11325%0.254CS..EExtended strand (participates in β ladder)trans-88.6117.1177.8-65.3-178-166.5-71.3-3.7110.1L211 M212 T213 D214 W216 L230L211-R232 WeakPolarHBondContact CA-O 3.36Å; M212-R232 HydrophobicContact CB-CB 4.12Å; M212-R232 PolarHBondContact N-O 3.15Å; T213-R232 WeakPolarHBondContact O-CD 3.31Å; D214-R232 IonicContact OD1-CZ 3.94Å; D214-R232 IonicContact OD1-NE 3.3Å; D214-R232 PolarHBondContact OD1-NE 3.09Å; D214-R232 IonicContact OD1-NH2 2.78Å; D214-R232 PolarHBondContact OD1-NH2 2.82Å; W216-R232 HydrophobicContact CE3-CB 4.27Å; W216-R232 HydrophobicContact CH2-CB 3.6Å; W216-R232 HydrophobicContact CH2-CG 3.9Å; W216-R232 HydrophobicContact CZ2-CB 3.93Å; W216-R232 HydrophobicContact CZ2-CG 3.71Å; W216-R232 HydrophobicContact CZ3-CB 3.78Å; W216-R232 HydrophobicContact CZ3-CG 4.47Å; L230-R232 PolarHBondContact O-N 3.22Å
233I97.4Very high88.6Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-114.6124.1-177.7-62.2168.5000108.7M209 K210 L211 I231 V235 Q297 F298 I315 L415M209-I233 HydrophobicContact CE-CG2 3.73Å; K210-I233 WeakPolarHBondContact O-CA 3.4Å; L211-I233 HydrophobicContact CD2-CG1 3.98Å; I231-I233 HydrophobicContact CG2-CD1 4.19Å; I231-I233 HydrophobicContact CG2-CG1 4.04Å; I233-V235 HydrophobicContact CG2-CG2 4.25Å; I233-Q297 WeakPolarHBondContact O-CA 3.49Å; I233-F298 HydrophobicContact CB-CD1 4.32Å; I233-F298 HydrophobicContact CB-CD2 4.33Å; I233-F298 HydrophobicContact CB-CE1 3.96Å; I233-F298 HydrophobicContact CB-CE2 3.97Å; I233-F298 HydrophobicContact CB-CZ 3.78Å; I233-F298 HydrophobicContact CD1-CD2 4.48Å; I233-F298 HydrophobicContact CD1-CE2 3.6Å; I233-F298 HydrophobicContact CD1-CZ 3.78Å; I233-F298 HydrophobicContact CG1-CE2 4.3Å; I233-F298 HydrophobicContact CG1-CZ 4.37Å; I233-F298 HydrophobicContact CG2-CD1 4.35Å; I233-F298 HydrophobicContact CG2-CE1 3.63Å; I233-F298 HydrophobicContact CG2-CE2 4.32Å; I233-F298 HydrophobicContact CG2-CZ 3.62Å; I233-F298 PolarHBondContact N-O 3.45Å; I233-F298 PolarHBondContact O-N 2.86Å; I233-I315 HydrophobicContact CD1-CD1 3.93Å; I233-L415 HydrophobicContact CG1-CD1 4.28Å; I233-L415 HydrophobicContact CG2-CD1 4.14Å
234E97.5Very high88.7Confident23 Ų2353 Ų5311%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-103.8134.3168.1176.6171.9114.200109.7M209 K210 M212 T236 K295 Q297M209-E234 CarbonylContact C-O 3.57Å; M209-E234 VanDerWaalsContact CA-O 3.29Å; M209-E234 WeakPolarHBondContact CA-O 3.47Å; K210-E234 PolarHBondContact N-O 3.33Å; K210-E234 PolarHBondContact O-N 2.96Å; M212-E234 HydrophobicContact CG-CB 3.51Å; M212-E234 HydrophobicContact SD-CB 3.87Å; E234-T236 HydrophobicContact CG-CG2 4.08Å; E234-K295 HydrophobicContact CG-CD 4.05Å; E234-K295 HydrophobicContact CG-CG 4.06Å; E234-K295 WeakPolarHBondContact OE2-CD 3.39Å; E234-Q297 HydrophobicContact CB-CG 4.13Å; E234-Q297 HydrophobicContact CG-CG 4.06Å; E234-Q297 PolarHBondContact OE2-NE2 2.98Å
235V97Very high88.8Confident0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-116.5129.2174.9-1730000108M209 I233 V247 V249 K295 L296 F298 L319M209-V235 HydrophobicContact CG-CG2 4.22Å; I233-V235 HydrophobicContact CG2-CG2 4.25Å; V235-V247 HydrophobicContact CG1-CG2 4.1Å; V235-V249 HydrophobicContact CB-CG2 4.39Å; V235-V249 HydrophobicContact CG1-CG2 4.41Å; V235-V249 HydrophobicContact CG2-CG2 3.83Å; V235-K295 CarbonylContact O-C 3.59Å; V235-K295 VanDerWaalsContact O-CA 3.31Å; V235-K295 WeakPolarHBondContact O-CA 3.36Å; V235-L296 PolarHBondContact N-O 3.18Å; V235-L296 PolarHBondContact O-N 2.86Å; V235-F298 HydrophobicContact CG2-CD1 4.37Å; V235-F298 HydrophobicContact CG2-CE1 3.79Å; V235-L319 HydrophobicContact CG1-CD1 3.66Å; V235-L319 HydrophobicContact CG1-CD2 3.75Å; V235-L319 HydrophobicContact CG1-CG 4.28Å
236T95.1Very high88.9Confident24 Ų2449.7 Ų49.715%0.14725%0.25CC..EExtended strand (participates in β ladder)trans-131.8148.7176.851.40000111F207 T208 E234 N294 K295F207-T236 CarbonylContact C-O 3.57Å; F207-T236 WeakPolarHBondContact CA-O 3.36Å; T208-T236 PolarHBondContact N-O 2.77Å; T208-T236 PolarHBondContact O-N 2.82Å; T208-T236 PolarHBondContact O-OG1 2.82Å; E234-T236 HydrophobicContact CG-CG2 4.08Å; T236-N294 WeakPolarHBondContact CA-O 3.3Å; T236-K295 HydrophobicContact CG2-CB 4.11Å; T236-K295 HydrophobicContact CG2-CD 4.2Å; T236-K295 HydrophobicContact CG2-CG 3.97Å
237V92.3Very high89.1Confident1 Ų146.5 Ų46.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-111.7125.1165.368.50000109L205 F207 Q239 L245 V247 N294 A321L205-V237 HydrophobicContact CB-CG2 4.22Å; L205-V237 HydrophobicContact CD1-CG2 3.98Å; L205-V237 HydrophobicContact CD2-CG2 4.13Å; L205-V237 HydrophobicContact CG-CG2 4.37Å; F207-V237 HydrophobicContact CD1-CB 4.1Å; F207-V237 HydrophobicContact CD1-CG2 4.02Å; F207-V237 HydrophobicContact CE1-CB 4.19Å; F207-V237 HydrophobicContact CE1-CG2 3.93Å; F207-V237 HydrophobicContact CZ-CG2 4.41Å; V237-Q239 PolarHBondContact O-N 2.89Å; V237-Q239 VanDerWaalsContact O-N 3.09Å; V237-L245 HydrophobicContact CG1-CB 4.06Å; V237-L245 HydrophobicContact CG1-CD1 4.31Å; V237-L245 HydrophobicContact CG2-CD1 4.25Å; V237-V247 HydrophobicContact CB-CB 4.33Å; V237-V247 HydrophobicContact CB-CG2 4.17Å; V237-V247 HydrophobicContact CG1-CB 3.97Å; V237-V247 HydrophobicContact CG1-CG2 4.36Å; V237-N294 HydrophobicContact CG1-CB 3.9Å; V237-N294 PolarHBondContact N-O 2.84Å; V237-A321 HydrophobicContact CG2-CB 4.29Å
238K86.6Confident89.3Confident92 Ų9243.9 Ų43.940%0.422%0.222SC..EExtended strand (participates in β ladder)trans-79.995.4179.7-64.5-176-174.3173.10109.8Y206 Y240Y206-K238 PolarHBondContact O-N 3.47Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 HydrophobicContact CB-CD2 3.91Å; K238-Y240 HydrophobicContact CB-CE2 3.46Å; K238-Y240 VanDerWaalsContact CB-CE2 3.46Å; K238-Y240 HydrophobicContact CD-CE2 4.17Å; K238-Y240 HydrophobicContact CG-CE2 4.46Å; K238-Y240 WeakPolarHBondContact O-CD2 3.15Å; K238-Y240 PolarHBondContact O-N 2.77Å
239Q75.4Confident89.8Confident69 Ų6941.8 Ų41.832%0.32220%0.2SC..  trans-73.1-5.3-174.769.9-174.846.900115.9V237 F241 H242 N294V237-Q239 PolarHBondContact O-N 2.89Å; V237-Q239 VanDerWaalsContact O-N 3.09Å; Q239-F241 PolarHBondContact O-N 2.98Å; Q239-H242 VanDerWaalsContact O-CB 3.26Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-CD2 3.05Å; Q239-H242 PolarHBondContact O-N 3.39Å; Q239-N294 VanDerWaalsContact OE1-CB 3.28Å
240Y74.1Confident89.9Confident143 Ų14340.3 Ų40.356%0.56119%0.192SC*.THydrogen-bonded Turntrans30.7-102.2178.9-67-75.9000115.8Y206 K238Y206-Y240 AromaticContact CD2-CE2 3.84Å; Y206-Y240 HydrophobicContact CD2-CE2 3.84Å; K238-Y240 VanDerWaalsContact C-N 3.27Å; K238-Y240 HydrophobicContact CB-CD2 3.91Å; K238-Y240 HydrophobicContact CB-CE2 3.46Å; K238-Y240 VanDerWaalsContact CB-CE2 3.46Å; K238-Y240 HydrophobicContact CD-CE2 4.17Å; K238-Y240 HydrophobicContact CG-CE2 4.46Å; K238-Y240 WeakPolarHBondContact O-CD2 3.15Å; K238-Y240 PolarHBondContact O-N 2.77Å
241F69.1Low89.9Confident204 Ų20443.1 Ų43.190%0.89520%0.2SC*.THydrogen-bonded Turntrans-113.120.1177.6-60.8-73.6000113.3Q239Q239-F241 PolarHBondContact O-N 2.98Å
242H71.8Confident90Very high31 Ų3143.1 Ų43.114%0.14420%0.2CC..SBendtrans-83.2169.1-179.4-56.2-128.8000110.4A201 L205 Q239A201-H242 VanDerWaalsContact C-CE1 3.45Å; A201-H242 WeakPolarHBondContact CA-CE1 3.01Å; A201-H242 HydrophobicContact CB-CB 4.45Å; A201-H242 PolarHBondContact O-CE1 3.15Å; A201-H242 PolarHBondContact O-ND1 3.45Å; L205-H242 WeakPolarHBondContact CD2-CE1 3.01Å; L205-H242 WeakPolarHBondContact CD2-ND1 3.36Å; Q239-H242 VanDerWaalsContact O-CB 3.26Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-CD2 3.05Å; Q239-H242 PolarHBondContact O-N 3.39Å
243V83.4Confident89.9Confident83 Ų8342.9 Ų42.950%0.50320%0.202SC..SBendtrans-58.9154.7165-64.20000110.6L245 T323V243-L245 HydrophobicContact CG2-CD2 4.04Å; V243-L245 WeakPolarHBondContact O-CD2 3.4Å; V243-L245 WeakPolarHBondContact O-CG 3.4Å; V243-L245 PolarHBondContact O-N 2.91Å; V243-T323 HydrophobicContact CG2-CG2 3.79Å
244P89.6Confident89.8Confident78 Ų7842.9 Ų42.951%0.50620%0.202SC..PPolyproline II helixtrans-57.8129177.5-2434.5000111.5T324P244-T324 HydrophobicContact CB-CG2 4.05Å; P244-T324 PolarHBondContact O-N 2.94Å; P244-T324 PolarHBondContact O-OG1 2.82Å
245L91.8Very high89.6Confident1 Ų141.8 Ų41.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-111.8145.8-175.6-57.9-177000111.6L205 V237 V243 E293 N294 A321 T322 W409L205-L245 HydrophobicContact CD1-CD1 3.35Å; L205-L245 HydrophobicContact CD2-CD1 3.74Å; L205-L245 HydrophobicContact CG-CD1 4.21Å; V237-L245 HydrophobicContact CG1-CB 4.06Å; V237-L245 HydrophobicContact CG1-CD1 4.31Å; V237-L245 HydrophobicContact CG2-CD1 4.25Å; V243-L245 HydrophobicContact CG2-CD2 4.04Å; V243-L245 WeakPolarHBondContact O-CD2 3.4Å; V243-L245 WeakPolarHBondContact O-CG 3.4Å; V243-L245 PolarHBondContact O-N 2.91Å; L245-E293 CarbonylContact O-C 3.56Å; L245-E293 VanDerWaalsContact O-C 3.3Å; L245-E293 WeakPolarHBondContact O-CB 3.4Å; L245-N294 WeakPolarHBondContact O-CA 3.31Å; L245-N294 PolarHBondContact O-N 2.8Å; L245-A321 HydrophobicContact CD1-CB 4.37Å; L245-T322 CarbonylContact C-O 3.48Å; L245-T322 VanDerWaalsContact CA-O 3.24Å; L245-T322 WeakPolarHBondContact CA-O 3.45Å; L245-W409 HydrophobicContact CD2-CE3 4.25Å; L245-W409 HydrophobicContact CD2-CH2 3.91Å; L245-W409 HydrophobicContact CD2-CZ3 3.52Å
246R94.5Very high89.3Confident19 Ų1943.7 Ų43.77%0.07221%0.207CC..EExtended strand (participates in β ladder)trans-102.7127.7165.1-164174.3-53.6101.55.8109.4Y248 E293 A321 T322 T324 H326R246-Y248 HydrophobicContact CB-CE2 4.13Å; R246-Y248 WeakPolarHBondContact CD-OH 3.44Å; R246-Y248 HydrophobicContact CG-CE1 4.11Å; R246-Y248 HydrophobicContact CG-CE2 4.27Å; R246-Y248 PolarHBondContact NH1-OH 3Å; R246-Y248 VanDerWaalsContact NH1-OH 3.09Å; R246-E293 VanDerWaalsContact CA-O 3.3Å; R246-E293 WeakPolarHBondContact CA-O 3.12Å; R246-E293 HydrophobicContact CB-CB 4.46Å; R246-E293 VanDerWaalsContact CD-OE2 3.32Å; R246-E293 WeakPolarHBondContact CD-OE2 3.43Å; R246-E293 HydrophobicContact CG-CB 4.46Å; R246-E293 WeakPolarHBondContact CG-OE2 3.17Å; R246-E293 IonicContact CZ-OE1 3.42Å; R246-E293 VanDerWaalsContact CZ-OE1 3.3Å; R246-E293 IonicContact CZ-OE2 3.71Å; R246-E293 IonicContact NE-OE1 3.65Å; R246-E293 PolarHBondContact NE-OE1 2.88Å; R246-E293 IonicContact NE-OE2 3.78Å; R246-E293 PolarHBondContact NE-OE2 2.86Å; R246-E293 IonicContact NH2-OE1 3.75Å; R246-E293 PolarHBondContact NH2-OE1 2.8Å; R246-E293 IonicContact NH2-OE2 3.91Å; R246-A321 WeakPolarHBondContact O-CA 3.3Å; R246-T322 PolarHBondContact N-O 2.79Å; R246-T322 PolarHBondContact O-N 2.86Å; R246-T322 VanDerWaalsContact O-N 3.11Å; R246-T324 HydrophobicContact CB-CG2 4.32Å; R246-T324 PolarHBondContact NH2-O 3.07Å; R246-H326 PolarHBondContact NH1-O 3.45Å
247V96Very high89Confident0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-95.1140.5177.474.70000111.3F207 V235 V237 R290 E293 N294 K295 L296F207-V247 HydrophobicContact CD1-CG2 4.24Å; F207-V247 HydrophobicContact CE1-CG2 4.17Å; V235-V247 HydrophobicContact CG1-CG2 4.1Å; V237-V247 HydrophobicContact CB-CB 4.33Å; V237-V247 HydrophobicContact CB-CG2 4.17Å; V237-V247 HydrophobicContact CG1-CB 3.97Å; V237-V247 HydrophobicContact CG1-CG2 4.36Å; V247-R290 PolarHBondContact O-NH1 3.42Å; V247-R290 PolarHBondContact O-NH2 2.94Å; V247-E293 PolarHBondContact N-O 2.67Å; V247-N294 VanDerWaalsContact CG1-C 3.49Å; V247-K295 VanDerWaalsContact CG1-C 3.42Å; V247-L296 HydrophobicContact CG1-CB 3.86Å
248Y96.6Very high88.9Confident3 Ų348 Ų481%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-131.8160.3176.2-48.1-89.3000110.2R246 K320 T322 I328 H332 R333R246-Y248 HydrophobicContact CB-CE2 4.13Å; R246-Y248 WeakPolarHBondContact CD-OH 3.44Å; R246-Y248 HydrophobicContact CG-CE1 4.11Å; R246-Y248 HydrophobicContact CG-CE2 4.27Å; R246-Y248 PolarHBondContact NH1-OH 3Å; R246-Y248 VanDerWaalsContact NH1-OH 3.09Å; Y248-K320 PolarHBondContact N-O 2.72Å; Y248-K320 PolarHBondContact O-N 3.03Å; Y248-T322 HydrophobicContact CE2-CG2 3.95Å; Y248-T322 WeakPolarHBondContact CE2-OG1 3.38Å; Y248-I328 HydrophobicContact CE1-CG1 4.4Å; Y248-H332 HydrophobicContact CD2-CB 4.38Å; Y248-H332 HydrophobicContact CE1-CB 4.03Å; Y248-H332 VanDerWaalsContact CE1-O 3.29Å; Y248-H332 WeakPolarHBondContact CE1-O 3.42Å; Y248-H332 HydrophobicContact CE2-CB 3.87Å; Y248-R333 VanDerWaalsContact CD1-N 3.35Å
249V97.3Very high89Confident1 Ų147.6 Ų47.61%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-113.1117172.6-178.90000106.1V235 C252 L269 G273 F287 L296 F298 C317 L319V235-V249 HydrophobicContact CB-CG2 4.39Å; V235-V249 HydrophobicContact CG1-CG2 4.41Å; V235-V249 HydrophobicContact CG2-CG2 3.83Å; V249-C252 WeakPolarHBondContact CG1-SG 3.07Å; V249-L269 HydrophobicContact CB-CD1 4.21Å; V249-L269 HydrophobicContact CB-CD2 4.45Å; V249-L269 HydrophobicContact CG1-CD1 3.65Å; V249-L269 HydrophobicContact CG1-CD2 3.83Å; V249-L269 HydrophobicContact CG1-CG 4.42Å; V249-G273 WeakPolarHBondContact O-CA 3.48Å; V249-G273 PolarHBondContact O-N 3.42Å; V249-F287 HydrophobicContact CB-CE1 4.47Å; V249-F287 HydrophobicContact CB-CZ 4.43Å; V249-F287 HydrophobicContact CG2-CE1 4.42Å; V249-L296 HydrophobicContact CG2-CD2 4.14Å; V249-F298 HydrophobicContact CG2-CE1 4.14Å; V249-C317 HydrophobicContact CG1-CB 4.18Å; V249-L319 HydrophobicContact CB-CD2 4.28Å; V249-L319 HydrophobicContact CG1-CD2 4.17Å; V249-L319 HydrophobicContact CG2-CD2 3.84Å
250D95.3Very high89.7Confident6 Ų646 Ų463%0.03224%0.237CC..EExtended strand (participates in β ladder)trans-81.2-53.3-172.1-177.927.8000111.2F272 G273 H318 K320D250-F272 PolarHBondContact O-N 2.74Å; D250-F272 WeakPolarHBondContact OD1-CA 3.17Å; D250-F272 WeakPolarHBondContact OD1-CD1 3.23Å; D250-G273 PolarHBondContact O-N 2.71Å; D250-H318 HydrophobicContact CB-CB 4.24Å; D250-H318 WeakPolarHBondContact CB-O 3.42Å; D250-H318 PolarHBondContact N-O 2.84Å; D250-H318 IonicContact OD2-CE1 3.87Å; D250-H318 IonicContact OD2-CG 3.72Å; D250-H318 IonicContact OD2-ND1 3.98Å; D250-H318 PolarHBondContact OD2-ND1 3.46Å; D250-K320 HydrophobicContact CB-CD 3.82Å; D250-K320 HydrophobicContact CB-CG 4.13Å; D250-K320 VanDerWaalsContact CG-CE 3.45Å; D250-K320 WeakPolarHBondContact OD2-CE 3.39Å
251R95Very high90.5Very high97 Ų9744.9 Ų44.937%0.36625%0.245SC..EExtended strand (participates in β ladder)trans-148.3149.7175.353.3177.7166.9-73.2-13.5109.4L269 C317 H318R251-L269 CarbonylContact C-O 3.56Å; R251-L269 VanDerWaalsContact CA-O 3.25Å; R251-L269 WeakPolarHBondContact CA-O 3.46Å; R251-C317 CarbonylContact O-C 3.55Å; R251-C317 VanDerWaalsContact O-CA 3.28Å; R251-C317 WeakPolarHBondContact O-CA 3.01Å; R251-H318 HydrophobicContact CG-CB 3.67Å; R251-H318 PolarHBondContact NH2-CD2 3.31Å; R251-H318 PolarHBondContact NH2-CE1 3.44Å; R251-H318 PolarHBondContact NH2-ND1 2.86Å; R251-H318 VanDerWaalsContact NH2-ND1 3.15Å; R251-H318 PolarHBondContact O-N 3.11Å
252C96.8Very high91.4Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-133135.4168-63.60000110.9V249 A267 F268 L269 T316 C317V249-C252 WeakPolarHBondContact CG1-SG 3.07Å; C252-A267 WeakPolarHBondContact O-CA 3.37Å; C252-F268 HydrophobicContact CB-CD1 4.33Å; C252-F268 HydrophobicContact CB-CD2 4.19Å; C252-F268 HydrophobicContact CB-CE1 3.66Å; C252-F268 HydrophobicContact CB-CE2 3.47Å; C252-F268 VanDerWaalsContact CB-CE2 3.47Å; C252-F268 HydrophobicContact CB-CZ 3.18Å; C252-F268 PolarHBondContact O-N 3.14Å; C252-L269 HydrophobicContact CB-CB 4.08Å; C252-L269 PolarHBondContact N-O 3.18Å; C252-T316 WeakPolarHBondContact CA-O 3.43Å; C252-C317 HydrophobicContact CB-CB 4.09Å; C252-C317 WeakPolarHBondContact CB-SG 3.09Å; C252-C317 WeakPolarHBondContact SG-CB 3.24Å; C252-C317 CovalentContact SG-SG 2.03Å; C252-C317 PolarHBondContact SG-SG 2.99Å
253V96Very high92.1Very high25 Ų2539.8 Ų39.815%0.15224%0.239CC..EExtended strand (participates in β ladder)trans-125.5128.9179.7-175.30000108.6T255 Y265 Y266 A267 T316V253-T255 HydrophobicContact CG1-CG2 4.21Å; V253-Y265 HydrophobicContact CG1-CD2 3.87Å; V253-Y265 HydrophobicContact CG1-CG 4.13Å; V253-Y266 WeakPolarHBondContact CA-O 3.3Å; V253-A267 HydrophobicContact CG2-CB 4.32Å; V253-T316 PolarHBondContact N-O 2.76Å; V253-T316 PolarHBondContact O-N 2.94Å
254A94.5Very high92.3Very high0 Ų038.1 Ų38.10%023%0.229CC..EExtended strand (participates in β ladder)trans-93.3144.4168.500000110.9Y265 Y266 F268 F303 F305 Y314 I315A254-Y265 CarbonylContact O-C 3.54Å; A254-Y265 WeakPolarHBondContact O-CA 3.36Å; A254-Y266 PolarHBondContact N-O 3.13Å; A254-Y266 PolarHBondContact O-N 2.98Å; A254-F268 HydrophobicContact CB-CD1 4.31Å; A254-F268 HydrophobicContact CB-CE1 4.29Å; A254-F303 HydrophobicContact CB-CE2 3.93Å; A254-F303 HydrophobicContact CB-CZ 3.55Å; A254-F305 HydrophobicContact CB-CZ 4.48Å; A254-F305 WeakPolarHBondContact O-CZ 3.47Å; A254-Y314 CarbonylContact C-O 3.52Å; A254-Y314 WeakPolarHBondContact CA-O 3.06Å; A254-I315 HydrophobicContact CB-CG1 4.31Å
255T93.4Very high92.3Very high0 Ų040.1 Ų40.10%023%0.228CC..EExtended strand (participates in β ladder)trans-146.5165.9-174.3450000111.3V253 S257 I313 Y314V253-T255 HydrophobicContact CG1-CG2 4.21Å; T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 WeakPolarHBondContact CB-O 3.47Å; T255-S257 PolarHBondContact OG1-O 2.86Å; T255-I313 WeakPolarHBondContact O-CA 3.39Å; T255-Y314 PolarHBondContact N-O 3.39Å; T255-Y314 PolarHBondContact O-N 3.34Å
256L90.6Very high92.3Very high41 Ų4142.7 Ų42.722%0.21524%0.238CC..SBendtrans-83.4-7.1171.9-69-174.6000114.2P264 F305 P308 L312L256-P264 HydrophobicContact CD1-CG 3.86Å; L256-P264 HydrophobicContact CG-CG 4.08Å; L256-F305 HydrophobicContact CD2-CB 4.14Å; L256-F305 HydrophobicContact CD2-CD2 3.55Å; L256-F305 HydrophobicContact CD2-CE2 4.35Å; L256-F305 HydrophobicContact CD2-CG 4.15Å; L256-F305 HydrophobicContact CG-CD2 3.97Å; L256-F305 HydrophobicContact CG-CG 4.38Å; L256-P308 HydrophobicContact CD1-CG 4.4Å; L256-L312 VanDerWaalsContact CD2-O 3.29Å; L256-L312 WeakPolarHBondContact CD2-O 3.43Å
257S89.5Confident92.3Very high39 Ų3943.1 Ų43.127%0.27325%0.245SC..SBendtrans-139.8164.7179.386.10000111.2T255 D259 S262 Y314T255-S257 VanDerWaalsContact C-N 3.34Å; T255-S257 WeakPolarHBondContact CB-O 3.47Å; T255-S257 PolarHBondContact OG1-O 2.86Å; S257-D259 PolarHBondContact O-N 3.42Å; S257-D259 VanDerWaalsContact O-N 3.1Å; S257-D259 PolarHBondContact OG-N 3.31Å; S257-S262 WeakPolarHBondContact OG-CB 3.45Å; S257-S262 PolarHBondContact OG-OG 2.9Å; S257-Y314 VanDerWaalsContact C-CD2 3.41Å
258P89.7Confident92.2Very high77 Ų7743.1 Ų43.150%0.525%0.245SC..SBendtrans-59.7-18.7177.1-22.632.7000114.8A260 Y314P258-A260 PolarHBondContact O-N 2.84Å; P258-Y314 HydrophobicContact CB-CD1 4.4Å; P258-Y314 HydrophobicContact CB-CE1 4.47Å; P258-Y314 HydrophobicContact CG-CD1 4.05Å; P258-Y314 HydrophobicContact CG-CE1 3.69Å; P258-Y314 HydrophobicContact CG-CE2 4.38Å
259D89.8Confident92.2Very high82 Ų8243 Ų4344%0.43924%0.244SC..  trans-75.7112174.6171.214.9000110.4S257 T261 S262S257-D259 PolarHBondContact O-N 3.42Å; S257-D259 VanDerWaalsContact O-N 3.1Å; S257-D259 PolarHBondContact OG-N 3.31Å; D259-T261 PolarHBondContact O-N 2.86Å; D259-T261 WeakPolarHBondContact OD1-CA 3.26Å; D259-T261 WeakPolarHBondContact OD1-CB 3.12Å; D259-T261 PolarHBondContact OD1-N 2.85Å; D259-T261 PolarHBondContact OD1-OG1 2.72Å; D259-T261 PolarHBondContact OD2-OG1 3.03Å; D259-S262 VanDerWaalsContact O-CB 3.3Å; D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.92Å; D259-S262 VanDerWaalsContact O-N 3.07Å; D259-S262 PolarHBondContact O-OG 2.03Å
260A89.4Confident91.9Very high36 Ų3646.4 Ų46.430%0.29826%0.263SS..THydrogen-bonded Turntrans-64.6-15.4178.600000114.2P258 T316P258-A260 PolarHBondContact O-N 2.84Å; A260-T316 HydrophobicContact CB-CG2 3.88Å
261T90.5Very high91.8Very high119 Ų11948.3 Ų48.373%0.7327%0.273SS*.THydrogen-bonded Turntrans-94.4-4.6175.9720000113.2D259D259-T261 PolarHBondContact O-N 2.86Å; D259-T261 WeakPolarHBondContact OD1-CA 3.26Å; D259-T261 WeakPolarHBondContact OD1-CB 3.12Å; D259-T261 PolarHBondContact OD1-N 2.85Å; D259-T261 PolarHBondContact OD1-OG1 2.72Å; D259-T261 PolarHBondContact OD2-OG1 3.03Å
262S88.6Confident91.7Very high19 Ų1947.2 Ų47.213%0.13327%0.271CS..SBendtrans-68.9149.3-179.766.90000112.7S257 D259 P264S257-S262 WeakPolarHBondContact OG-CB 3.45Å; S257-S262 PolarHBondContact OG-OG 2.9Å; D259-S262 VanDerWaalsContact O-CB 3.3Å; D259-S262 WeakPolarHBondContact O-CB 3.35Å; D259-S262 PolarHBondContact O-N 2.92Å; D259-S262 VanDerWaalsContact O-N 3.07Å; D259-S262 PolarHBondContact O-OG 2.03Å; S262-P264 CarbonylContact O-C 3.56Å
263S85.5Confident91.6Very high110 Ų11047.2 Ų47.277%0.76927%0.271SS*.SBendtrans-105.4138.2179.1-175.70000110.9
264P89Confident91.6Very high48 Ų4846.1 Ų46.131%0.31226%0.264SS..SBendcis-75.3152.3-233.8-36.2000112.6L256 S262 F305L256-P264 HydrophobicContact CD1-CG 3.86Å; L256-P264 HydrophobicContact CG-CG 4.08Å; S262-P264 CarbonylContact O-C 3.56Å; P264-F305 HydrophobicContact CB-CD1 3.78Å; P264-F305 HydrophobicContact CB-CE1 3.92Å; P264-F305 HydrophobicContact CG-CB 4.29Å; P264-F305 HydrophobicContact CG-CD1 3.64Å; P264-F305 HydrophobicContact CG-CE1 4.11Å; P264-F305 HydrophobicContact CG-CG 3.94Å
265Y89.5Confident91.6Very high119 Ų11946.1 Ų46.147%0.46726%0.264SS..EExtended strand (participates in β ladder)trans-128.3158.3170.870.7-96.3000111.3V253 A254V253-Y265 HydrophobicContact CG1-CD2 3.87Å; V253-Y265 HydrophobicContact CG1-CG 4.13Å; A254-Y265 CarbonylContact O-C 3.54Å; A254-Y265 WeakPolarHBondContact O-CA 3.36Å
266Y91.9Very high91.6Very high56 Ų5647.2 Ų47.222%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-138.2112.2174.5178.4-123.2000110.1V253 A254 F268 D277 F303V253-Y266 WeakPolarHBondContact CA-O 3.3Å; A254-Y266 PolarHBondContact N-O 3.13Å; A254-Y266 PolarHBondContact O-N 2.98Å; Y266-F268 HydrophobicContact CD1-CB 4.05Å; Y266-F268 HydrophobicContact CE1-CB 3.68Å; Y266-F268 PolarHBondContact O-N 2.94Å; Y266-D277 PolarHBondContact OH-OD1 2.8Å; Y266-F303 AromaticContact CD1-CE1 3.98Å; Y266-F303 HydrophobicContact CD1-CE1 3.98Å; Y266-F303 AromaticContact CD1-CE2 3.93Å; Y266-F303 HydrophobicContact CD1-CE2 3.93Å; Y266-F303 AromaticContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CE1-CE1 4.16Å; Y266-F303 HydrophobicContact CE1-CZ 4.29Å
267A93.4Very high91.7Very high27 Ų2745.5 Ų45.522%0.22326%0.261CS..EExtended strand (participates in β ladder)trans-81.611117200000109.1C252 V253C252-A267 WeakPolarHBondContact O-CA 3.37Å; V253-A267 HydrophobicContact CG2-CB 4.32Å
268F94.5Very high91.7Very high0 Ų044.1 Ų44.10%025%0.252CS..EExtended strand (participates in β ladder)trans-102.8-11.8-178.364.1-101.5000112.6C252 A254 Y266 I276 D277 F298 L300 I315C252-F268 HydrophobicContact CB-CD1 4.33Å; C252-F268 HydrophobicContact CB-CD2 4.19Å; C252-F268 HydrophobicContact CB-CE1 3.66Å; C252-F268 HydrophobicContact CB-CE2 3.47Å; C252-F268 VanDerWaalsContact CB-CE2 3.47Å; C252-F268 HydrophobicContact CB-CZ 3.18Å; C252-F268 PolarHBondContact O-N 3.14Å; A254-F268 HydrophobicContact CB-CD1 4.31Å; A254-F268 HydrophobicContact CB-CE1 4.29Å; Y266-F268 HydrophobicContact CD1-CB 4.05Å; Y266-F268 HydrophobicContact CE1-CB 3.68Å; Y266-F268 PolarHBondContact O-N 2.94Å; F268-I276 WeakPolarHBondContact O-CG1 3.41Å; F268-I276 PolarHBondContact O-N 3.2Å; F268-D277 HydrophobicContact CB-CB 4.14Å; F268-D277 PolarHBondContact O-N 2.84Å; F268-F298 AromaticContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CZ 4.43Å; F268-F298 HydrophobicContact CZ-CE2 4.32Å; F268-L300 HydrophobicContact CB-CD1 4.19Å; F268-L300 HydrophobicContact CD1-CD1 4.47Å; F268-L300 HydrophobicContact CD1-CD2 4.2Å; F268-L300 HydrophobicContact CD2-CD1 3.63Å; F268-L300 HydrophobicContact CD2-CD2 4.2Å; F268-L300 HydrophobicContact CE1-CD2 3.86Å; F268-L300 HydrophobicContact CE2-CD1 4.04Å; F268-L300 HydrophobicContact CE2-CD2 3.88Å; F268-L300 HydrophobicContact CG-CD1 3.87Å; F268-L300 HydrophobicContact CG-CD2 4.35Å; F268-L300 HydrophobicContact CZ-CD2 3.67Å; F268-I315 HydrophobicContact CE1-CG1 4.36Å; F268-I315 HydrophobicContact CE1-CG2 3.85Å; F268-I315 HydrophobicContact CZ-CG2 3.69Å
269L95.1Very high91.7Very high0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-147.3126.8178.7-175.1169.5000107V249 R251 C252 C274 L275 F287V249-L269 HydrophobicContact CB-CD1 4.21Å; V249-L269 HydrophobicContact CB-CD2 4.45Å; V249-L269 HydrophobicContact CG1-CD1 3.65Å; V249-L269 HydrophobicContact CG1-CD2 3.83Å; V249-L269 HydrophobicContact CG1-CG 4.42Å; R251-L269 CarbonylContact C-O 3.56Å; R251-L269 VanDerWaalsContact CA-O 3.25Å; R251-L269 WeakPolarHBondContact CA-O 3.46Å; C252-L269 HydrophobicContact CB-CB 4.08Å; C252-L269 PolarHBondContact N-O 3.18Å; L269-C274 WeakPolarHBondContact CA-O 3.43Å; L269-L275 HydrophobicContact CD1-CB 4.47Å; L269-L275 HydrophobicContact CD1-CD1 4.49Å; L269-L275 HydrophobicContact CD1-CG 4.45Å; L269-L275 HydrophobicContact CG-CB 4.32Å; L269-F287 HydrophobicContact CD1-CE1 4.41Å; L269-F287 HydrophobicContact CD1-CE2 4.25Å; L269-F287 HydrophobicContact CD1-CZ 3.68Å
270D92.2Very high91.5Very high74 Ų7443.2 Ų43.240%0.39624%0.237SC..EExtended strand (participates in β ladder)trans-157.9-172.1-174.4-164.18.3000110.6F272 C274 I276D270-F272 PolarHBondContact O-N 3.42Å; D270-C274 PolarHBondContact N-O 2.94Å; D270-C274 WeakPolarHBondContact O-CA 3.44Å; D270-C274 VanDerWaalsContact O-CB 3.25Å; D270-C274 WeakPolarHBondContact O-CB 3.29Å; D270-C274 PolarHBondContact O-N 3.32Å; D270-I276 HydrophobicContact CB-CD1 4.44Å
271N92.3Very high91.3Very high46 Ų4645 Ų4525%0.24624%0.244CC..THydrogen-bonded Turntrans53.650.2175.6-177.519.6000111.7C274 R333 S353N271-C274 HydrophobicContact CB-CB 4.35Å; N271-C274 PolarHBondContact O-SG 2.85Å; N271-R333 PolarHBondContact O-NH2 2.85Å; N271-R333 PolarHBondContact OD1-NH2 3.13Å; N271-S353 PolarHBondContact ND2-O 2.93Å
272F94.4Very high91.1Very high74 Ų7445.4 Ų45.433%0.32525%0.247SC..THydrogen-bonded Turntrans56.163.9179.3-46.9-81.7000112.2D250 D270 Q331 R333D250-F272 PolarHBondContact O-N 2.74Å; D250-F272 WeakPolarHBondContact OD1-CA 3.17Å; D250-F272 WeakPolarHBondContact OD1-CD1 3.23Å; D270-F272 PolarHBondContact O-N 3.42Å; F272-Q331 HydrophobicContact CD1-CB 4.28Å; F272-Q331 HydrophobicContact CD1-CG 4.27Å; F272-Q331 HydrophobicContact CD2-CG 4.35Å; F272-Q331 HydrophobicContact CE1-CG 4.47Å; F272-Q331 HydrophobicContact CG-CB 4.34Å; F272-Q331 HydrophobicContact CG-CG 4.22Å; F272-R333 WeakPolarHBondContact O-CG 3.34Å; F272-R333 PolarHBondContact O-NE 2.98Å
273G94.4Very high91.1Very high0 Ų045.6 Ų45.60%025%0.248CC..THydrogen-bonded Turntrans83.917172.400000116.7V249 D250 C335V249-G273 WeakPolarHBondContact O-CA 3.48Å; V249-G273 PolarHBondContact O-N 3.42Å; D250-G273 PolarHBondContact O-N 2.71Å; G273-C335 PolarHBondContact O-N 2.8Å
274C95.3Very high91.4Very high1 Ų143.7 Ų43.71%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-84.1108.3169.8-52.10000110.2L269 D270 N271 I276 R333 W341 C354L269-C274 WeakPolarHBondContact CA-O 3.43Å; D270-C274 PolarHBondContact N-O 2.94Å; D270-C274 WeakPolarHBondContact O-CA 3.44Å; D270-C274 VanDerWaalsContact O-CB 3.25Å; D270-C274 WeakPolarHBondContact O-CB 3.29Å; D270-C274 PolarHBondContact O-N 3.32Å; N271-C274 HydrophobicContact CB-CB 4.35Å; N271-C274 PolarHBondContact O-SG 2.85Å; C274-I276 HydrophobicContact CB-CG2 4.33Å; C274-I276 PolarHBondContact O-N 2.03Å; C274-R333 PolarHBondContact SG-NH2 3.45Å; C274-R333 VanDerWaalsContact SG-NH2 3.45Å; C274-W341 HydrophobicContact CB-CH2 4.09Å; C274-W341 HydrophobicContact CB-CZ3 4.17Å; C274-C354 HydrophobicContact CB-CB 3.72Å; C274-C354 WeakPolarHBondContact CB-SG 3.49Å; C274-C354 WeakPolarHBondContact SG-CA 3.18Å; C274-C354 WeakPolarHBondContact SG-CB 3.43Å; C274-C354 CovalentContact SG-SG 2.03Å; C274-C354 PolarHBondContact SG-SG 2.87Å
275L95.4Very high91.7Very high0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans-76.6102.7172.6-162.4161.9000108.8L269 D277 F287 F298 C335L269-L275 HydrophobicContact CD1-CB 4.47Å; L269-L275 HydrophobicContact CD1-CD1 4.49Å; L269-L275 HydrophobicContact CD1-CG 4.45Å; L269-L275 HydrophobicContact CG-CB 4.32Å; L275-D277 HydrophobicContact CD2-CB 3.97Å; L275-F287 HydrophobicContact CB-CD2 4.26Å; L275-F287 HydrophobicContact CB-CE2 3.96Å; L275-F287 HydrophobicContact CD1-CD2 4.31Å; L275-F287 HydrophobicContact CD1-CE2 4.38Å; L275-F298 HydrophobicContact CD1-CB 4.39Å; L275-F298 HydrophobicContact CD1-CD2 4.38Å; L275-C335 WeakPolarHBondContact CB-O 3.44Å; L275-C335 PolarHBondContact N-O 2.89Å
276I93.4Very high92Very high24 Ų2439 Ų3912%0.12320%0.204CC..  trans-92.6-17.7-169.953.8173.3000114.1F268 D270 C274 A278 R279 I280 W341F268-I276 WeakPolarHBondContact O-CG1 3.41Å; F268-I276 PolarHBondContact O-N 3.2Å; D270-I276 HydrophobicContact CB-CD1 4.44Å; C274-I276 HydrophobicContact CB-CG2 4.33Å; C274-I276 PolarHBondContact O-N 2.03Å; I276-A278 PolarHBondContact O-N 3.01Å; I276-R279 WeakPolarHBondContact O-CB 3.14Å; I276-R279 PolarHBondContact O-N 3.2Å; I276-I280 HydrophobicContact CB-CD1 4.11Å; I276-I280 HydrophobicContact CD1-CD1 4.08Å; I276-I280 HydrophobicContact CG1-CD1 4.18Å; I276-I280 WeakPolarHBondContact O-CG1 3.35Å; I276-I280 PolarHBondContact O-N 2.73Å; I276-W341 HydrophobicContact CG2-CH2 4.16Å
277D92.6Very high92.3Very high4 Ų436.8 Ų36.82%0.02120%0.196CC..Hα-helixtrans-48.4-57.8-179.7-176.425000112.8Y266 F268 L275 R279 I280 T281 C283 S285 L300Y266-D277 PolarHBondContact OH-OD1 2.8Å; F268-D277 HydrophobicContact CB-CB 4.14Å; F268-D277 PolarHBondContact O-N 2.84Å; L275-D277 HydrophobicContact CD2-CB 3.97Å; D277-R279 PolarHBondContact O-N 3.03Å; D277-I280 PolarHBondContact O-N 3.11Å; D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 3.09Å; D277-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D277-T281 PolarHBondContact OD1-OG1 3.33Å; D277-C283 PolarHBondContact OD1-SG 2.87Å; D277-C283 PolarHBondContact OD2-SG 3.02Å; D277-S285 VanDerWaalsContact OD2-CB 3.27Å; D277-S285 WeakPolarHBondContact OD2-CB 3.42Å; D277-S285 PolarHBondContact OD2-OG 2.68Å; D277-L300 WeakPolarHBondContact OD2-CD1 3.45Å
278A88.8Confident92.4Very high10 Ų1038.1 Ų38.18%0.08320%0.198CC..Hα-helixtrans-62.7-17.3179.700000115I276 C283 S285I276-A278 PolarHBondContact O-N 3.01Å; A278-C283 WeakPolarHBondContact CA-SG 3.46Å; A278-C283 WeakPolarHBondContact CB-O 3.49Å; A278-C283 PolarHBondContact N-SG 3.45Å; A278-S285 VanDerWaalsContact CB-O 3.3Å; A278-S285 WeakPolarHBondContact CB-O 3.49Å
279R88.8Confident92.5Very high64 Ų6441.8 Ų41.824%0.24223%0.228CC..Hα-helixtrans-82.8-24.4172-171.9178.2-179.5-142.66.8112.2I276 D277 Y337 C354 E355I276-R279 WeakPolarHBondContact O-CB 3.14Å; I276-R279 PolarHBondContact O-N 3.2Å; D277-R279 PolarHBondContact O-N 3.03Å; R279-Y337 HydrophobicContact CB-CD1 4.15Å; R279-Y337 HydrophobicContact CB-CD2 4.4Å; R279-Y337 HydrophobicContact CB-CG 3.97Å; R279-Y337 HydrophobicContact CG-CD1 4.43Å; R279-Y337 HydrophobicContact CG-CD2 4.23Å; R279-Y337 HydrophobicContact CG-CE2 4.37Å; R279-Y337 HydrophobicContact CG-CG 4.26Å; R279-C354 PolarHBondContact NH1-O 2.86Å; R279-E355 IonicContact CZ-OE1 3.53Å; R279-E355 IonicContact CZ-OE2 2.67Å; R279-E355 IonicContact NE-OE1 3.81Å; R279-E355 IonicContact NE-OE2 3.34Å; R279-E355 PolarHBondContact NH2-O 3.5Å; R279-E355 IonicContact NH2-OE1 2.76Å; R279-E355 PolarHBondContact NH2-OE1 2.9Å; R279-E355 IonicContact NH2-OE2 2.8Å; R279-E355 PolarHBondContact NH2-OE2 2.95Å
280I87.4Confident92.5Very high76 Ų7643.6 Ų43.639%0.3924%0.235SC..Hα-helixtrans-100.7-49.2-174.5-62.1167.6000111.5I276 D277 V359I276-I280 HydrophobicContact CB-CD1 4.11Å; I276-I280 HydrophobicContact CD1-CD1 4.08Å; I276-I280 HydrophobicContact CG1-CD1 4.18Å; I276-I280 WeakPolarHBondContact O-CG1 3.35Å; I276-I280 PolarHBondContact O-N 2.73Å; D277-I280 PolarHBondContact O-N 3.11Å; I280-V359 HydrophobicContact CD1-CG1 3.66Å; I280-V359 HydrophobicContact CG1-CG1 4.02Å
281T85.3Confident92.5Very high73 Ų7344.9 Ų44.945%0.44825%0.246SC..THydrogen-bonded Turntrans-97.5-13.3-172.661.30000113.2D277 C283D277-T281 PolarHBondContact O-N 3.28Å; D277-T281 PolarHBondContact O-OG1 3.09Å; D277-T281 WeakPolarHBondContact OD1-CG2 3.36Å; D277-T281 PolarHBondContact OD1-OG1 3.33Å; T281-C283 PolarHBondContact O-N 3.41Å; T281-C283 WeakPolarHBondContact OG1-CB 3.39Å; T281-C283 PolarHBondContact OG1-SG 2.88Å
282V85.4Confident92.5Very high129 Ų12947.1 Ų47.178%0.78226%0.255SS*.  trans59.433.4-174.4-156.80000112.3
283C89Confident92.5Very high22 Ų2246.7 Ų46.715%0.14925%0.254CS..  trans-78.7173.6171.766.80000112.7D277 A278 T281 S285 E301D277-C283 PolarHBondContact OD1-SG 2.87Å; D277-C283 PolarHBondContact OD2-SG 3.02Å; A278-C283 WeakPolarHBondContact CA-SG 3.46Å; A278-C283 WeakPolarHBondContact CB-O 3.49Å; A278-C283 PolarHBondContact N-SG 3.45Å; T281-C283 PolarHBondContact O-N 3.41Å; T281-C283 WeakPolarHBondContact OG1-CB 3.39Å; T281-C283 PolarHBondContact OG1-SG 2.88Å; C283-S285 VanDerWaalsContact C-N 3.29Å; C283-S285 PolarHBondContact O-N 3.01Å; C283-S285 WeakPolarHBondContact SG-CB 3.49Å; C283-S285 PolarHBondContact SG-OG 2.91Å; C283-E301 WeakPolarHBondContact CA-OE2 3.23Å; C283-E301 HydrophobicContact CB-CB 3.9Å; C283-E301 VanDerWaalsContact CB-OE2 3.24Å; C283-E301 WeakPolarHBondContact CB-OE2 3.5Å
284D90.3Very high92.5Very high70 Ų7048.7 Ų48.737%0.37426%0.264SS..  trans-88.918.6177-158.848000113.7L230 R286 Q299 E301L230-D284 HydrophobicContact CD2-CB 4.41Å; D284-R286 VanDerWaalsContact CG-NH2 3.28Å; D284-R286 IonicContact OD1-CZ 3.39Å; D284-R286 VanDerWaalsContact OD1-CZ 3.3Å; D284-R286 IonicContact OD1-NH1 3.32Å; D284-R286 PolarHBondContact OD1-NH1 3.33Å; D284-R286 IonicContact OD1-NH2 3.79Å; D284-R286 PolarHBondContact OD1-NH2 3.23Å; D284-R286 IonicContact OD2-CZ 3.46Å; D284-R286 IonicContact OD2-NH1 3.8Å; D284-R286 IonicContact OD2-NH2 2.71Å; D284-R286 PolarHBondContact OD2-NH2 2.92Å; D284-Q299 PolarHBondContact O-NE2 2.85Å; D284-Q299 PolarHBondContact OD2-NE2 3.28Å; D284-E301 PolarHBondContact N-OE2 3.28Å
285S95.6Very high92.5Very high1 Ų150 Ų501%0.00727%0.27CS..  trans-68.8127.4-178.8-60.20000112.9D277 A278 C283 Q299 L300 E301D277-S285 VanDerWaalsContact OD2-CB 3.27Å; D277-S285 WeakPolarHBondContact OD2-CB 3.42Å; D277-S285 PolarHBondContact OD2-OG 2.68Å; A278-S285 VanDerWaalsContact CB-O 3.3Å; A278-S285 WeakPolarHBondContact CB-O 3.49Å; C283-S285 VanDerWaalsContact C-N 3.29Å; C283-S285 PolarHBondContact O-N 3.01Å; C283-S285 WeakPolarHBondContact SG-CB 3.49Å; C283-S285 PolarHBondContact SG-OG 2.91Å; S285-Q299 CarbonylContact C-O 3.55Å; S285-Q299 VanDerWaalsContact CA-O 3.23Å; S285-Q299 WeakPolarHBondContact CA-O 3.19Å; S285-L300 WeakPolarHBondContact OG-CA 3.41Å; S285-E301 PolarHBondContact OG-N 3.09Å
286R96.1Very high92.6Very high69 Ų6950.1 Ų50.126%0.2627%0.271SS..EExtended strand (participates in β ladder)trans-163.8156.9-17855.8174163.7-98.6-14.9113.1D284 F298 Q299 I338D284-R286 VanDerWaalsContact CG-NH2 3.28Å; D284-R286 IonicContact OD1-CZ 3.39Å; D284-R286 VanDerWaalsContact OD1-CZ 3.3Å; D284-R286 IonicContact OD1-NH1 3.32Å; D284-R286 PolarHBondContact OD1-NH1 3.33Å; D284-R286 IonicContact OD1-NH2 3.79Å; D284-R286 PolarHBondContact OD1-NH2 3.23Å; D284-R286 IonicContact OD2-CZ 3.46Å; D284-R286 IonicContact OD2-NH1 3.8Å; D284-R286 IonicContact OD2-NH2 2.71Å; D284-R286 PolarHBondContact OD2-NH2 2.92Å; R286-F298 CarbonylContact O-C 3.48Å; R286-F298 VanDerWaalsContact O-CA 3.31Å; R286-F298 WeakPolarHBondContact O-CA 3.46Å; R286-F298 WeakPolarHBondContact O-CB 3.36Å; R286-Q299 HydrophobicContact CG-CG 3.88Å; R286-Q299 PolarHBondContact N-O 2.67Å; R286-Q299 PolarHBondContact O-N 3.07Å; R286-I338 HydrophobicContact CB-CD1 4.38Å
287F97.4Very high92.8Very high9 Ų950 Ų504%0.03927%0.27CS..EExtended strand (participates in β ladder)trans-65147.6158.2-68.1-79.5000111V249 L269 L275 L296 Q297 F298 A334 S336 A344V249-F287 HydrophobicContact CB-CE1 4.47Å; V249-F287 HydrophobicContact CB-CZ 4.43Å; V249-F287 HydrophobicContact CG2-CE1 4.42Å; L269-F287 HydrophobicContact CD1-CE1 4.41Å; L269-F287 HydrophobicContact CD1-CE2 4.25Å; L269-F287 HydrophobicContact CD1-CZ 3.68Å; L275-F287 HydrophobicContact CB-CD2 4.26Å; L275-F287 HydrophobicContact CB-CE2 3.96Å; L275-F287 HydrophobicContact CD1-CD2 4.31Å; L275-F287 HydrophobicContact CD1-CE2 4.38Å; F287-L296 HydrophobicContact CD1-CD1 3.74Å; F287-L296 HydrophobicContact CD1-CD2 4.02Å; F287-L296 HydrophobicContact CD1-CG 3.81Å; F287-L296 HydrophobicContact CE1-CD1 4.21Å; F287-L296 HydrophobicContact CE1-CD2 3.6Å; F287-L296 HydrophobicContact CE1-CG 3.83Å; F287-L296 HydrophobicContact CZ-CD2 4.44Å; F287-Q297 WeakPolarHBondContact CA-O 3.31Å; F287-F298 HydrophobicContact CD1-CB 3.67Å; F287-F298 HydrophobicContact CD1-CD1 4.4Å; F287-F298 HydrophobicContact CD1-CG 4.39Å; F287-F298 HydrophobicContact CE1-CB 4.14Å; F287-F298 HydrophobicContact CE1-CD1 4.14Å; F287-F298 HydrophobicContact CE1-CG 4.38Å; F287-F298 HydrophobicContact CG-CB 4.2Å; F287-A334 HydrophobicContact CD1-CB 3.99Å; F287-A334 HydrophobicContact CD2-CB 4.05Å; F287-A334 HydrophobicContact CE1-CB 3.93Å; F287-A334 HydrophobicContact CE2-CB 3.97Å; F287-A334 HydrophobicContact CG-CB 4.04Å; F287-A334 HydrophobicContact CZ-CB 3.88Å; F287-S336 WeakPolarHBondContact CB-OG 3.42Å; F287-S336 WeakPolarHBondContact CD2-OG 3.27Å; F287-S336 PolarHBondContact N-OG 3.01Å; F287-A344 HydrophobicContact CB-CB 3.97Å
288M96.5Very high93Very high54 Ų5449.9 Ų49.927%0.26627%0.269SS..PPolyproline II helixtrans-84.1159.8165.9-56-57.7-67.100109.6W216 R290 Q297 A344W216-M288 HydrophobicContact CH2-CG 3.93Å; W216-M288 HydrophobicContact CZ2-CE 4.48Å; W216-M288 HydrophobicContact CZ2-CG 3.45Å; W216-M288 VanDerWaalsContact CZ2-CG 3.45Å; W216-M288 HydrophobicContact CZ2-SD 3.78Å; M288-R290 PolarHBondContact O-N 3.07Å; M288-Q297 HydrophobicContact CB-CB 4Å; M288-Q297 HydrophobicContact CG-CB 3.97Å; M288-Q297 PolarHBondContact N-O 2.92Å; M288-A344 WeakPolarHBondContact O-CB 3.37Å
289A95.6Very high93.4Very high77 Ų7749.7 Ų49.764%0.63627%0.266SS*.PPolyproline II helixtrans-60.9133.3172.600000110.7T291 A344A289-T291 PolarHBondContact O-N 3.04Å; A289-A344 CarbonylContact C-O 3.55Å; A289-A344 WeakPolarHBondContact CA-O 3.49Å
290R95.6Very high93.8Very high38 Ų3846.7 Ų46.714%0.14326%0.255CS..PPolyproline II helixtrans-69.3119.6-175.4-172.6-176.1-65.6-92.213.2110.8V247 M288 E292 E293 K295 A344 S345V247-R290 PolarHBondContact O-NH1 3.42Å; V247-R290 PolarHBondContact O-NH2 2.94Å; M288-R290 PolarHBondContact O-N 3.07Å; R290-E292 WeakPolarHBondContact CG-O 3.35Å; R290-E293 VanDerWaalsContact CD-OE2 3.28Å; R290-E293 WeakPolarHBondContact CD-OE2 3.18Å; R290-E293 PolarHBondContact NH1-O 2.74Å; R290-E293 VanDerWaalsContact NH1-O 3.13Å; R290-K295 PolarHBondContact NH1-O 2.66Å; R290-A344 PolarHBondContact N-O 3.07Å; R290-S345 PolarHBondContact NE-OG 3.07Å
291T91.8Very high94.1Very high101 Ų10146.2 Ų46.262%0.6225%0.251SS*.SBendtrans-95.5-31.4178.949.80000113.6A289A289-T291 PolarHBondContact O-N 3.04Å
292E93.9Very high94.5Very high93 Ų9343 Ų4344%0.43523%0.232SC..SBendtrans-140.2148.4-178.9-75.4151.5-12700108.4R290 K295R290-E292 WeakPolarHBondContact CG-O 3.35Å; E292-K295 HydrophobicContact CB-CB 4.1Å; E292-K295 WeakPolarHBondContact OE1-CE 3.25Å; E292-K295 IonicContact OE1-NZ 2.69Å; E292-K295 PolarHBondContact OE1-NZ 2.87Å; E292-K295 WeakPolarHBondContact OE2-CE 3.31Å; E292-K295 IonicContact OE2-NZ 2.73Å; E292-K295 PolarHBondContact OE2-NZ 2.97Å
293E94.5Very high94.8Very high66 Ų6638.9 Ų38.931%0.30820%0.204SC..THydrogen-bonded Turntrans-72.4-43.5-173.7-65.2-80.1-125.700112.5L245 R246 V247 R290 K295 T324L245-E293 CarbonylContact O-C 3.56Å; L245-E293 VanDerWaalsContact O-C 3.3Å; L245-E293 WeakPolarHBondContact O-CB 3.4Å; R246-E293 VanDerWaalsContact CA-O 3.3Å; R246-E293 WeakPolarHBondContact CA-O 3.12Å; R246-E293 HydrophobicContact CB-CB 4.46Å; R246-E293 VanDerWaalsContact CD-OE2 3.32Å; R246-E293 WeakPolarHBondContact CD-OE2 3.43Å; R246-E293 HydrophobicContact CG-CB 4.46Å; R246-E293 WeakPolarHBondContact CG-OE2 3.17Å; R246-E293 IonicContact CZ-OE1 3.42Å; R246-E293 VanDerWaalsContact CZ-OE1 3.3Å; R246-E293 IonicContact CZ-OE2 3.71Å; R246-E293 IonicContact NE-OE1 3.65Å; R246-E293 PolarHBondContact NE-OE1 2.88Å; R246-E293 IonicContact NE-OE2 3.78Å; R246-E293 PolarHBondContact NE-OE2 2.86Å; R246-E293 IonicContact NH2-OE1 3.75Å; R246-E293 PolarHBondContact NH2-OE1 2.8Å; R246-E293 IonicContact NH2-OE2 3.91Å; V247-E293 PolarHBondContact N-O 2.67Å; R290-E293 VanDerWaalsContact CD-OE2 3.28Å; R290-E293 WeakPolarHBondContact CD-OE2 3.18Å; R290-E293 PolarHBondContact NH1-O 2.74Å; R290-E293 VanDerWaalsContact NH1-O 3.13Å; E293-K295 PolarHBondContact O-N 2.83Å; E293-K295 VanDerWaalsContact O-N 3.14Å; E293-T324 HydrophobicContact CB-CG2 3.61Å; E293-T324 HydrophobicContact CG-CG2 3.71Å
294N94Very high94.8Very high41 Ų4142.9 Ų42.922%0.21922%0.216CC..THydrogen-bonded Turntrans-789-179.467.3-62.9000113.6T236 V237 Q239 L245 V247T236-N294 WeakPolarHBondContact CA-O 3.3Å; V237-N294 HydrophobicContact CG1-CB 3.9Å; V237-N294 PolarHBondContact N-O 2.84Å; Q239-N294 VanDerWaalsContact OE1-CB 3.28Å; L245-N294 WeakPolarHBondContact O-CA 3.31Å; L245-N294 PolarHBondContact O-N 2.8Å; V247-N294 VanDerWaalsContact CG1-C 3.49Å
295K95.4Very high94.7Very high30 Ų3041 Ų4113%0.1320%0.204CC..EExtended strand (participates in β ladder)trans-131.5146.7178.3-179.5166.259.1-161.90110.7E234 V235 T236 V247 R290 E292 E293 Q297E234-K295 HydrophobicContact CG-CD 4.05Å; E234-K295 HydrophobicContact CG-CG 4.06Å; E234-K295 WeakPolarHBondContact OE2-CD 3.39Å; V235-K295 CarbonylContact O-C 3.59Å; V235-K295 VanDerWaalsContact O-CA 3.31Å; V235-K295 WeakPolarHBondContact O-CA 3.36Å; T236-K295 HydrophobicContact CG2-CB 4.11Å; T236-K295 HydrophobicContact CG2-CD 4.2Å; T236-K295 HydrophobicContact CG2-CG 3.97Å; V247-K295 VanDerWaalsContact CG1-C 3.42Å; R290-K295 PolarHBondContact NH1-O 2.66Å; E292-K295 HydrophobicContact CB-CB 4.1Å; E292-K295 WeakPolarHBondContact OE1-CE 3.25Å; E292-K295 IonicContact OE1-NZ 2.69Å; E292-K295 PolarHBondContact OE1-NZ 2.87Å; E292-K295 WeakPolarHBondContact OE2-CE 3.31Å; E292-K295 IonicContact OE2-NZ 2.73Å; E292-K295 PolarHBondContact OE2-NZ 2.97Å; E293-K295 PolarHBondContact O-N 2.83Å; E293-K295 VanDerWaalsContact O-N 3.14Å; K295-Q297 HydrophobicContact CG-CG 4.44Å
296L97.3Very high94Very high2 Ų249.6 Ų49.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-146.2132.3171.6-176.154.6000109.1V235 V247 V249 F287 A334 A344V235-L296 PolarHBondContact N-O 3.18Å; V235-L296 PolarHBondContact O-N 2.86Å; V247-L296 HydrophobicContact CG1-CB 3.86Å; V249-L296 HydrophobicContact CG2-CD2 4.14Å; F287-L296 HydrophobicContact CD1-CD1 3.74Å; F287-L296 HydrophobicContact CD1-CD2 4.02Å; F287-L296 HydrophobicContact CD1-CG 3.81Å; F287-L296 HydrophobicContact CE1-CD1 4.21Å; F287-L296 HydrophobicContact CE1-CD2 3.6Å; F287-L296 HydrophobicContact CE1-CG 3.83Å; F287-L296 HydrophobicContact CZ-CD2 4.44Å; L296-A334 HydrophobicContact CD1-CB 3.98Å; L296-A334 HydrophobicContact CD2-CB 3.71Å; L296-A334 HydrophobicContact CG-CB 4.48Å; L296-A344 HydrophobicContact CD1-CB 4.14Å
297Q97.6Very high92.6Very high22 Ų2251.8 Ų51.810%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-118.8137.2-175.6-75.2175.8-17.200109.6W216 I233 E234 F287 M288 K295W216-Q297 HydrophobicContact CE3-CB 3.99Å; W216-Q297 VanDerWaalsContact CE3-CD 3.49Å; W216-Q297 HydrophobicContact CE3-CG 3.75Å; W216-Q297 HydrophobicContact CH2-CB 3.96Å; W216-Q297 HydrophobicContact CZ3-CB 3.6Å; W216-Q297 HydrophobicContact CZ3-CG 3.74Å; I233-Q297 WeakPolarHBondContact O-CA 3.49Å; E234-Q297 HydrophobicContact CB-CG 4.13Å; E234-Q297 HydrophobicContact CG-CG 4.06Å; E234-Q297 PolarHBondContact OE2-NE2 2.98Å; F287-Q297 WeakPolarHBondContact CA-O 3.31Å; M288-Q297 HydrophobicContact CB-CB 4Å; M288-Q297 HydrophobicContact CG-CB 3.97Å; M288-Q297 PolarHBondContact N-O 2.92Å; K295-Q297 HydrophobicContact CG-CG 4.44Å
298F97.3Very high90.7Very high0 Ų055.3 Ų55.30%029%0.285CS..EExtended strand (participates in β ladder)trans-145.5145.9173.866.9-88.2000112.4W216 I233 V235 V249 F268 L275 R286 F287W216-F298 WeakPolarHBondContact CH2-O 3.28Å; I233-F298 HydrophobicContact CB-CD1 4.32Å; I233-F298 HydrophobicContact CB-CD2 4.33Å; I233-F298 HydrophobicContact CB-CE1 3.96Å; I233-F298 HydrophobicContact CB-CE2 3.97Å; I233-F298 HydrophobicContact CB-CZ 3.78Å; I233-F298 HydrophobicContact CD1-CD2 4.48Å; I233-F298 HydrophobicContact CD1-CE2 3.6Å; I233-F298 HydrophobicContact CD1-CZ 3.78Å; I233-F298 HydrophobicContact CG1-CE2 4.3Å; I233-F298 HydrophobicContact CG1-CZ 4.37Å; I233-F298 HydrophobicContact CG2-CD1 4.35Å; I233-F298 HydrophobicContact CG2-CE1 3.63Å; I233-F298 HydrophobicContact CG2-CE2 4.32Å; I233-F298 HydrophobicContact CG2-CZ 3.62Å; I233-F298 PolarHBondContact N-O 3.45Å; I233-F298 PolarHBondContact O-N 2.86Å; V235-F298 HydrophobicContact CG2-CD1 4.37Å; V235-F298 HydrophobicContact CG2-CE1 3.79Å; V249-F298 HydrophobicContact CG2-CE1 4.14Å; F268-F298 AromaticContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CE2 3.82Å; F268-F298 HydrophobicContact CE2-CZ 4.43Å; F268-F298 HydrophobicContact CZ-CE2 4.32Å; L275-F298 HydrophobicContact CD1-CB 4.39Å; L275-F298 HydrophobicContact CD1-CD2 4.38Å; R286-F298 CarbonylContact O-C 3.48Å; R286-F298 VanDerWaalsContact O-CA 3.31Å; R286-F298 WeakPolarHBondContact O-CA 3.46Å; R286-F298 WeakPolarHBondContact O-CB 3.36Å; F287-F298 HydrophobicContact CD1-CB 3.67Å; F287-F298 HydrophobicContact CD1-CD1 4.4Å; F287-F298 HydrophobicContact CD1-CG 4.39Å; F287-F298 HydrophobicContact CE1-CB 4.14Å; F287-F298 HydrophobicContact CE1-CD1 4.14Å; F287-F298 HydrophobicContact CE1-CG 4.38Å; F287-F298 HydrophobicContact CG-CB 4.2Å
299Q96.5Very high88.8Confident7 Ų760.5 Ų60.53%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-102.6140.1172.358.8176.546.400110.3W216 I231 D284 S285 R286W216-Q299 HydrophobicContact CZ2-CB 4.5Å; I231-Q299 WeakPolarHBondContact O-CA 3.48Å; D284-Q299 PolarHBondContact O-NE2 2.85Å; D284-Q299 PolarHBondContact OD2-NE2 3.28Å; S285-Q299 CarbonylContact C-O 3.55Å; S285-Q299 VanDerWaalsContact CA-O 3.23Å; S285-Q299 WeakPolarHBondContact CA-O 3.19Å; R286-Q299 HydrophobicContact CG-CG 3.88Å; R286-Q299 PolarHBondContact N-O 2.67Å; R286-Q299 PolarHBondContact O-N 3.07Å
300L96.3Very high87.4Confident0 Ų059.6 Ų59.60%030%0.303CS..EExtended strand (participates in β ladder)trans-128.6127.2179.4177.468.4000108.4I231 F268 D277 S285 F303 I315I231-L300 WeakPolarHBondContact CA-O 3.25Å; I231-L300 HydrophobicContact CB-CB 4.4Å; I231-L300 WeakPolarHBondContact CB-O 3.48Å; I231-L300 PolarHBondContact N-O 2.97Å; I231-L300 PolarHBondContact O-N 2.77Å; F268-L300 HydrophobicContact CB-CD1 4.19Å; F268-L300 HydrophobicContact CD1-CD1 4.47Å; F268-L300 HydrophobicContact CD1-CD2 4.2Å; F268-L300 HydrophobicContact CD2-CD1 3.63Å; F268-L300 HydrophobicContact CD2-CD2 4.2Å; F268-L300 HydrophobicContact CE1-CD2 3.86Å; F268-L300 HydrophobicContact CE2-CD1 4.04Å; F268-L300 HydrophobicContact CE2-CD2 3.88Å; F268-L300 HydrophobicContact CG-CD1 3.87Å; F268-L300 HydrophobicContact CG-CD2 4.35Å; F268-L300 HydrophobicContact CZ-CD2 3.67Å; D277-L300 WeakPolarHBondContact OD2-CD1 3.45Å; S285-L300 WeakPolarHBondContact OG-CA 3.41Å; L300-F303 HydrophobicContact CD1-CE1 4.25Å; L300-F303 HydrophobicContact CD2-CE1 4.09Å; L300-F303 HydrophobicContact CG-CE1 4.27Å; L300-I315 HydrophobicContact CD2-CD1 3.76Å
301E95.1Very high86.6Confident66 Ų6658.9 Ų58.931%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-71.8135.5178-162.7170.9150.200111.2L230 C283 D284 S285 F303L230-E301 HydrophobicContact CD2-CB 4.27Å; L230-E301 HydrophobicContact CD2-CG 4.48Å; C283-E301 WeakPolarHBondContact CA-OE2 3.23Å; C283-E301 HydrophobicContact CB-CB 3.9Å; C283-E301 VanDerWaalsContact CB-OE2 3.24Å; C283-E301 WeakPolarHBondContact CB-OE2 3.5Å; D284-E301 PolarHBondContact N-OE2 3.28Å; S285-E301 PolarHBondContact OG-N 3.09Å; E301-F303 WeakPolarHBondContact O-CD1 3.3Å; E301-F303 PolarHBondContact O-N 2.98Å
302A93.4Very high86.5Confident6 Ų656.8 Ų56.85%0.0529%0.292CS..  trans-72.8110.4-172.400000112.4F226 L227 D229 I231 I420F226-A302 VanDerWaalsContact O-CB 3.31Å; F226-A302 WeakPolarHBondContact O-CB 3.31Å; L227-A302 WeakPolarHBondContact CD2-O 3.49Å; D229-A302 HydrophobicContact CB-CB 4.46Å; D229-A302 WeakPolarHBondContact O-CB 3.45Å; D229-A302 PolarHBondContact O-N 3.22Å; I231-A302 HydrophobicContact CD1-CB 4.05Å; I231-A302 HydrophobicContact CG1-CB 4Å; A302-I420 HydrophobicContact CB-CD1 4.24Å; A302-I420 HydrophobicContact CB-CG2 4.15Å
303F91.9Very high86.5Confident43 Ų4352.5 Ų52.519%0.18927%0.272CS..  trans-109.9168.417561.3-95.3000112.2A254 Y266 L300 E301 F305 I313 I420A254-F303 HydrophobicContact CB-CE2 3.93Å; A254-F303 HydrophobicContact CB-CZ 3.55Å; Y266-F303 AromaticContact CD1-CE1 3.98Å; Y266-F303 HydrophobicContact CD1-CE1 3.98Å; Y266-F303 AromaticContact CD1-CE2 3.93Å; Y266-F303 HydrophobicContact CD1-CE2 3.93Å; Y266-F303 AromaticContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CD1-CZ 3.65Å; Y266-F303 HydrophobicContact CE1-CE1 4.16Å; Y266-F303 HydrophobicContact CE1-CZ 4.29Å; L300-F303 HydrophobicContact CD1-CE1 4.25Å; L300-F303 HydrophobicContact CD2-CE1 4.09Å; L300-F303 HydrophobicContact CG-CE1 4.27Å; E301-F303 WeakPolarHBondContact O-CD1 3.3Å; E301-F303 PolarHBondContact O-N 2.98Å; F303-F305 HydrophobicContact CE2-CE2 4.46Å; F303-I313 HydrophobicContact CE2-CD1 4.38Å; F303-I313 HydrophobicContact CZ-CD1 4.24Å; F303-I420 WeakPolarHBondContact O-CD1 3.38Å
304R89.4Confident86.4Confident106 Ų10651.4 Ų51.440%0.427%0.266SS..  trans-135.8148.7170.772.3-177.6-170.780.4-12.8111.8L227 E422L227-R304 HydrophobicContact CD2-CB 4.32Å; L227-R304 HydrophobicContact CD2-CG 4.13Å; R304-E422 IonicContact CZ-OE1 3.21Å; R304-E422 IonicContact NE-OE1 2.9Å; R304-E422 PolarHBondContact NE-OE1 3.23Å; R304-E422 IonicContact NH2-OE1 2.68Å; R304-E422 PolarHBondContact NH2-OE1 3.48Å
305F88.5Confident86.6Confident31 Ų3149.5 Ų49.514%0.13626%0.255CS..  trans-67.7151.3172.2-69.2-80.6000111.7A254 L256 P264 F303 N307 I313A254-F305 HydrophobicContact CB-CZ 4.48Å; A254-F305 WeakPolarHBondContact O-CZ 3.47Å; L256-F305 HydrophobicContact CD2-CB 4.14Å; L256-F305 HydrophobicContact CD2-CD2 3.55Å; L256-F305 HydrophobicContact CD2-CE2 4.35Å; L256-F305 HydrophobicContact CD2-CG 4.15Å; L256-F305 HydrophobicContact CG-CD2 3.97Å; L256-F305 HydrophobicContact CG-CG 4.38Å; P264-F305 HydrophobicContact CB-CD1 3.78Å; P264-F305 HydrophobicContact CB-CE1 3.92Å; P264-F305 HydrophobicContact CG-CB 4.29Å; P264-F305 HydrophobicContact CG-CD1 3.64Å; P264-F305 HydrophobicContact CG-CE1 4.11Å; P264-F305 HydrophobicContact CG-CG 3.94Å; F303-F305 HydrophobicContact CE2-CE2 4.46Å; F305-N307 PolarHBondContact O-N 3.37Å; F305-I313 HydrophobicContact CD2-CG2 4.07Å; F305-I313 HydrophobicContact CE2-CG2 4.09Å
306Q79.3Confident86.7Confident180 Ų18048.4 Ų48.484%0.84125%0.251SS*.SBendtrans-84.793.1175.5-64.7-172.710.100109.7
307N66.8Low86.7Confident115 Ų11548.3 Ų48.362%0.61525%0.251SS*.SBendtrans73.2148.6-172.1-41.5-77.6000113.5F305F305-N307 PolarHBondContact O-N 3.37Å
308P57.8Low86.6Confident83 Ų8347.9 Ų47.954%0.53925%0.249SC..SBendcis-80177-5.6-8.327.8000113.6L256 S310L256-P308 HydrophobicContact CD1-CG 4.4Å; P308-S310 PolarHBondContact O-N 2.92Å
309D57Low86.5Confident163 Ų16347.9 Ų47.987%0.87225%0.249SC*.THydrogen-bonded Turntrans-69.417-172.7-51.3-73.8000116.7G311D309-G311 VanDerWaalsContact C-N 3.35Å; D309-G311 PolarHBondContact O-N 3.42Å
310S66.7Low86.5Confident59 Ų5948.2 Ų48.241%0.41325%0.25SC..THydrogen-bonded Turntrans-67.5-35.8-177.867.50000112.7P308 L312P308-S310 PolarHBondContact O-N 2.92Å; S310-L312 PolarHBondContact O-N 2.89Å; S310-L312 VanDerWaalsContact O-N 3.13Å; S310-L312 PolarHBondContact OG-N 2.96Å
311G78.4Confident86.3Confident23 Ų2348.2 Ų48.224%0.23725%0.25CC..  trans61.49.6-167.700000113.8D309 I420D309-G311 VanDerWaalsContact C-N 3.35Å; D309-G311 PolarHBondContact O-N 3.42Å; G311-I420 PolarHBondContact O-N 2.79Å
312L89.1Confident86.2Confident57 Ų5745 Ų4530%0.29824%0.235SC..EExtended strand (participates in β ladder)trans-95.3134.3-177.9-55.5-179000110L256 S310 P417 I418 P419L256-L312 VanDerWaalsContact CD2-O 3.29Å; L256-L312 WeakPolarHBondContact CD2-O 3.43Å; S310-L312 PolarHBondContact O-N 2.89Å; S310-L312 VanDerWaalsContact O-N 3.13Å; S310-L312 PolarHBondContact OG-N 2.96Å; L312-P417 HydrophobicContact CB-CB 4.46Å; L312-P417 HydrophobicContact CD1-CB 4.16Å; L312-P417 HydrophobicContact CD2-CB 4.32Å; L312-I418 WeakPolarHBondContact CA-O 3.38Å; L312-P419 HydrophobicContact CD2-CB 3.7Å; L312-P419 HydrophobicContact CD2-CG 4.39Å
313I93.3Very high86.1Confident2 Ų246.5 Ų46.51%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-116.6153.1160.970.3170.6000111.1I231 T255 F303 F305 I315 I418 I420I231-I313 HydrophobicContact CD1-CD1 4.43Å; T255-I313 WeakPolarHBondContact O-CA 3.39Å; F303-I313 HydrophobicContact CE2-CD1 4.38Å; F303-I313 HydrophobicContact CZ-CD1 4.24Å; F305-I313 HydrophobicContact CD2-CG2 4.07Å; F305-I313 HydrophobicContact CE2-CG2 4.09Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I313-I418 HydrophobicContact CG1-CB 3.95Å; I313-I418 HydrophobicContact CG1-CG2 4.47Å; I313-I418 PolarHBondContact N-O 2.9Å; I313-I418 PolarHBondContact O-N 2.93Å; I313-I420 HydrophobicContact CD1-CD1 3.5Å; I313-I420 HydrophobicContact CG1-CD1 3.73Å; I313-I420 HydrophobicContact CG2-CD1 4.4Å
314Y94.3Very high86Confident44 Ų4446.5 Ų46.517%0.17325%0.247CC..EExtended strand (participates in β ladder)trans-109.1152.8157.8-65.6-96.4000107.9A254 T255 S257 P258 T414 L415 P417A254-Y314 CarbonylContact C-O 3.52Å; A254-Y314 WeakPolarHBondContact CA-O 3.06Å; T255-Y314 PolarHBondContact N-O 3.39Å; T255-Y314 PolarHBondContact O-N 3.34Å; S257-Y314 VanDerWaalsContact C-CD2 3.41Å; P258-Y314 HydrophobicContact CB-CD1 4.4Å; P258-Y314 HydrophobicContact CB-CE1 4.47Å; P258-Y314 HydrophobicContact CG-CD1 4.05Å; P258-Y314 HydrophobicContact CG-CE1 3.69Å; P258-Y314 HydrophobicContact CG-CE2 4.38Å; Y314-T414 HydrophobicContact CD1-CG2 4.2Å; Y314-L415 CarbonylContact C-O 3.3Å; Y314-L415 VanDerWaalsContact CA-O 3.3Å; Y314-L415 WeakPolarHBondContact CA-O 3.29Å; Y314-P417 HydrophobicContact CE1-CB 4.09Å; Y314-P417 HydrophobicContact CE2-CB 4.2Å
315I96.6Very high85.9Confident0 Ų045.9 Ų45.90%026%0.264CS..EExtended strand (participates in β ladder)trans-127.3113.6175.2-65.9173.8000107.1M209 I233 A254 F268 L300 I313 T414 L415 I418M209-I315 HydrophobicContact CE-CG2 4.41Å; I233-I315 HydrophobicContact CD1-CD1 3.93Å; A254-I315 HydrophobicContact CB-CG1 4.31Å; F268-I315 HydrophobicContact CE1-CG1 4.36Å; F268-I315 HydrophobicContact CE1-CG2 3.85Å; F268-I315 HydrophobicContact CZ-CG2 3.69Å; L300-I315 HydrophobicContact CD2-CD1 3.76Å; I313-I315 HydrophobicContact CD1-CD1 4.03Å; I313-I315 HydrophobicContact CD1-CG1 4.02Å; I315-T414 CarbonylContact O-C 3.34Å; I315-T414 WeakPolarHBondContact O-CA 3.26Å; I315-L415 PolarHBondContact N-O 2.68Å; I315-L415 PolarHBondContact O-N 3.39Å; I315-I418 HydrophobicContact CD1-CD1 3.93Å; I315-I418 HydrophobicContact CG1-CD1 4.35Å
316T97.3Very high86Confident8 Ų846.3 Ų46.35%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-106.7127.6171.8-58.30000109.2C252 V253 A260 D412 V413 T414C252-T316 WeakPolarHBondContact CA-O 3.43Å; V253-T316 PolarHBondContact N-O 2.76Å; V253-T316 PolarHBondContact O-N 2.94Å; A260-T316 HydrophobicContact CB-CG2 3.88Å; T316-D412 HydrophobicContact CG2-CB 4.27Å; T316-V413 WeakPolarHBondContact CA-O 3.5Å; T316-T414 WeakPolarHBondContact OG1-CB 3.43Å; T316-T414 WeakPolarHBondContact OG1-CG2 3.46Å; T316-T414 PolarHBondContact OG1-OG1 2.9Å
317C97.4Very high86.7Confident0 Ų041.8 Ų41.80%025%0.253CS..EExtended strand (participates in β ladder)trans-119.1135.9174.7-61.30000110.7M209 V249 R251 C252 L319 D412 V413M209-C317 HydrophobicContact CE-CB 3.99Å; M209-C317 WeakPolarHBondContact CE-SG 3.4Å; M209-C317 HydrophobicContact SD-CB 3.78Å; V249-C317 HydrophobicContact CG1-CB 4.18Å; R251-C317 CarbonylContact O-C 3.55Å; R251-C317 VanDerWaalsContact O-CA 3.28Å; R251-C317 WeakPolarHBondContact O-CA 3.01Å; C252-C317 HydrophobicContact CB-CB 4.09Å; C252-C317 WeakPolarHBondContact CB-SG 3.09Å; C252-C317 WeakPolarHBondContact SG-CB 3.24Å; C252-C317 CovalentContact SG-SG 2.03Å; C252-C317 PolarHBondContact SG-SG 2.99Å; C317-L319 HydrophobicContact CB-CD2 3.81Å; C317-L319 HydrophobicContact CB-CG 4.46Å; C317-D412 WeakPolarHBondContact O-CA 3.25Å; C317-V413 PolarHBondContact N-O 3.19Å; C317-V413 PolarHBondContact O-N 3.15Å
318H96.3Very high88Confident13 Ų1337.6 Ų37.66%0.0623%0.23CC..EExtended strand (participates in β ladder)trans-81.9122.3165.9-171.5-113.7000108.1D250 R251 E410 D412D250-H318 HydrophobicContact CB-CB 4.24Å; D250-H318 WeakPolarHBondContact CB-O 3.42Å; D250-H318 PolarHBondContact N-O 2.84Å; D250-H318 IonicContact OD2-CE1 3.87Å; D250-H318 IonicContact OD2-CG 3.72Å; D250-H318 IonicContact OD2-ND1 3.98Å; D250-H318 PolarHBondContact OD2-ND1 3.46Å; R251-H318 HydrophobicContact CG-CB 3.67Å; R251-H318 PolarHBondContact NH2-CD2 3.31Å; R251-H318 PolarHBondContact NH2-CE1 3.44Å; R251-H318 PolarHBondContact NH2-ND1 2.86Å; R251-H318 VanDerWaalsContact NH2-ND1 3.15Å; R251-H318 PolarHBondContact O-N 3.11Å; H318-E410 IonicContact CE1-OE1 3.64Å; H318-E410 PolarHBondContact CE1-OE1 3.12Å; H318-D412 WeakPolarHBondContact CA-OD1 3.28Å; H318-D412 WeakPolarHBondContact CB-OD1 3.3Å; H318-D412 IonicContact CD2-OD1 2.77Å; H318-D412 PolarHBondContact CD2-OD1 3.23Å; H318-D412 IonicContact CD2-OD2 2.96Å; H318-D412 IonicContact CG-OD1 2.67Å
319L96Very high89.6Confident0 Ų035.6 Ų35.60%022%0.215CC..EExtended strand (participates in β ladder)trans-111.9140.8-173.8-55-180000110F207 M209 V235 V249 C317 E410 G411 V413F207-L319 HydrophobicContact CB-CD1 3.8Å; F207-L319 HydrophobicContact CD1-CB 3.68Å; F207-L319 HydrophobicContact CD1-CD1 4.12Å; F207-L319 HydrophobicContact CE1-CB 3.95Å; F207-L319 HydrophobicContact CG-CB 4.09Å; F207-L319 HydrophobicContact CG-CD1 4.19Å; M209-L319 HydrophobicContact CG-CD1 3.95Å; M209-L319 HydrophobicContact SD-CD1 4.34Å; V235-L319 HydrophobicContact CG1-CD1 3.66Å; V235-L319 HydrophobicContact CG1-CD2 3.75Å; V235-L319 HydrophobicContact CG1-CG 4.28Å; V249-L319 HydrophobicContact CB-CD2 4.28Å; V249-L319 HydrophobicContact CG1-CD2 4.17Å; V249-L319 HydrophobicContact CG2-CD2 3.84Å; C317-L319 HydrophobicContact CB-CD2 3.81Å; C317-L319 HydrophobicContact CB-CG 4.46Å; L319-E410 CarbonylContact O-C 3.56Å; L319-E410 VanDerWaalsContact O-CA 3.31Å; L319-E410 WeakPolarHBondContact O-CA 3.35Å; L319-G411 WeakPolarHBondContact CB-O 3.32Å; L319-G411 PolarHBondContact N-O 3.17Å; L319-G411 PolarHBondContact O-N 3.2Å; L319-V413 HydrophobicContact CD1-CB 4.01Å; L319-V413 HydrophobicContact CD1-CG2 3.77Å
320K94.8Very high91.2Very high13 Ų1329.6 Ų29.66%0.05719%0.191CC..EExtended strand (participates in β ladder)trans-122.4145179.2-74.8172.8166.6-70.30109.7Y248 D250 E408 W409 E410Y248-K320 PolarHBondContact N-O 2.72Å; Y248-K320 PolarHBondContact O-N 3.03Å; D250-K320 HydrophobicContact CB-CD 3.82Å; D250-K320 HydrophobicContact CB-CG 4.13Å; D250-K320 VanDerWaalsContact CG-CE 3.45Å; D250-K320 WeakPolarHBondContact OD2-CE 3.39Å; K320-E408 WeakPolarHBondContact CD-OE1 3.36Å; K320-E408 WeakPolarHBondContact CE-OE1 3.49Å; K320-E408 VanDerWaalsContact CG-OE1 3.3Å; K320-E408 WeakPolarHBondContact CG-OE1 3.4Å; K320-E408 VanDerWaalsContact NZ-CD 3.25Å; K320-E408 IonicContact NZ-OE1 3.2Å; K320-E408 PolarHBondContact NZ-OE1 2.83Å; K320-E408 IonicContact NZ-OE2 3.3Å; K320-E408 PolarHBondContact NZ-OE2 2.86Å; K320-W409 CarbonylContact C-O 3.56Å; K320-W409 WeakPolarHBondContact CA-O 3.1Å; K320-E410 WeakPolarHBondContact CE-OE1 3.33Å; K320-E410 HydrophobicContact CG-CG 4.37Å; K320-E410 IonicContact NZ-OE1 3.19Å; K320-E410 PolarHBondContact NZ-OE1 2.66Å
321A93.2Very high92.3Very high0 Ų031.9 Ų31.90%020%0.196CC..EExtended strand (participates in β ladder)trans-130.4137.1167.200000110.5L205 F207 V237 L245 R246 E408 W409L205-A321 HydrophobicContact CD1-CB 4.35Å; F207-A321 HydrophobicContact CE1-CB 3.88Å; F207-A321 HydrophobicContact CZ-CB 3.91Å; V237-A321 HydrophobicContact CG2-CB 4.29Å; L245-A321 HydrophobicContact CD1-CB 4.37Å; R246-A321 WeakPolarHBondContact O-CA 3.3Å; A321-E408 WeakPolarHBondContact O-CA 3.28Å; A321-W409 PolarHBondContact N-O 2.69Å; A321-W409 PolarHBondContact O-N 3.41Å
322T92.4Very high93.1Very high0 Ų031 Ų310%019%0.185CC..EExtended strand (participates in β ladder)trans-120168.3167.969.90000109.5L245 R246 Y248 H332 L406L245-T322 CarbonylContact C-O 3.48Å; L245-T322 VanDerWaalsContact CA-O 3.24Å; L245-T322 WeakPolarHBondContact CA-O 3.45Å; R246-T322 PolarHBondContact N-O 2.79Å; R246-T322 PolarHBondContact O-N 2.86Å; R246-T322 VanDerWaalsContact O-N 3.11Å; Y248-T322 HydrophobicContact CE2-CG2 3.95Å; Y248-T322 WeakPolarHBondContact CE2-OG1 3.38Å; T322-H332 WeakPolarHBondContact CG2-CD2 3.44Å; T322-L406 HydrophobicContact CG2-CD1 4.41Å; T322-L406 HydrophobicContact CG2-CD2 4.48Å
323T90.5Very high93.5Very high36 Ų3628.3 Ų28.322%0.22117%0.171CC..EExtended strand (participates in β ladder)trans-60.7150.1161.976.50000110.5V243 A325 H326V243-T323 HydrophobicContact CG2-CG2 3.79Å; T323-A325 PolarHBondContact O-N 2.91Å; T323-H326 WeakPolarHBondContact O-CB 3.24Å; T323-H326 PolarHBondContact O-N 2.76Å; T323-H326 VanDerWaalsContact O-N 3.15Å; T323-H326 PolarHBondContact OG1-N 3.05Å
324T91.1Very high93.7Very high43 Ų4328.2 Ų28.226%0.26417%0.171SC..THydrogen-bonded Turntrans-66.2-19.517552.70000113.5P244 R246 E293 H326P244-T324 HydrophobicContact CB-CG2 4.05Å; P244-T324 PolarHBondContact O-N 2.94Å; P244-T324 PolarHBondContact O-OG1 2.82Å; R246-T324 HydrophobicContact CB-CG2 4.32Å; R246-T324 PolarHBondContact NH2-O 3.07Å; E293-T324 HydrophobicContact CB-CG2 3.61Å; E293-T324 HydrophobicContact CG-CG2 3.71Å; T324-H326 VanDerWaalsContact C-N 3.25Å; T324-H326 PolarHBondContact O-N 3Å
325A88.2Confident93.8Very high93 Ų9326.1 Ų26.177%0.76916%0.163SC*.THydrogen-bonded Turntrans-71.7-18.3174.400000113.1T323T323-A325 PolarHBondContact O-N 2.91Å
326H90.6Very high93.8Very high41 Ų4126.3 Ų26.319%0.1916%0.164CC..SBendtrans-72.6131.6169.4-166.770.6000109.8R246 T323 T324 D329 H332 L406R246-H326 PolarHBondContact NH1-O 3.45Å; T323-H326 WeakPolarHBondContact O-CB 3.24Å; T323-H326 PolarHBondContact O-N 2.76Å; T323-H326 VanDerWaalsContact O-N 3.15Å; T323-H326 PolarHBondContact OG1-N 3.05Å; T324-H326 VanDerWaalsContact C-N 3.25Å; T324-H326 PolarHBondContact O-N 3Å; H326-D329 IonicContact CD2-OD2 2.68Å; H326-D329 IonicContact CE1-OD2 2.78Å; H326-D329 IonicContact NE2-OD2 3.28Å; H326-D329 PolarHBondContact NE2-OD2 2.8Å; H326-H332 AromaticContact CD2-ND1 3.8Å; H326-H332 AromaticContact NE2-CE1 3.82Å; H326-H332 AromaticContact NE2-ND1 3.39Å; H326-H332 PolarHBondContact NE2-ND1 3.28Å; H326-L406 HydrophobicContact CB-CD1 4.14Å
327P92.6Very high93.6Very high84 Ų8429.8 Ų29.855%0.54518%0.177SC..PPolyproline II helixtrans-67.9158.9178.129.5-36.4000112.1
328I94.3Very high93.2Very high28 Ų2834 Ų3414%0.14420%0.198CC..PPolyproline II helixtrans-74.8124.9167.6-68.7170.2000107.8Y248 H332 R333 E343 S345 V347 A350Y248-I328 HydrophobicContact CE1-CG1 4.4Å; I328-H332 WeakPolarHBondContact CA-O 3.47Å; I328-H332 WeakPolarHBondContact CG2-O 3.43Å; I328-R333 HydrophobicContact CG2-CB 4.16Å; I328-E343 HydrophobicContact CG2-CG 4.03Å; I328-S345 VanDerWaalsContact CD1-CB 3.46Å; I328-S345 WeakPolarHBondContact CD1-OG 3.42Å; I328-V347 HydrophobicContact CB-CB 4.23Å; I328-V347 HydrophobicContact CB-CG1 4.43Å; I328-V347 HydrophobicContact CB-CG2 4.15Å; I328-V347 HydrophobicContact CD1-CG2 3.96Å; I328-V347 HydrophobicContact CG2-CB 3.9Å; I328-V347 HydrophobicContact CG2-CG1 4.29Å; I328-V347 HydrophobicContact CG2-CG2 4.29Å; I328-A350 HydrophobicContact CG2-CB 3.82Å
329D92.6Very high92.7Very high41 Ų4137.1 Ų37.122%0.21923%0.234CC..  trans-140.4-168-168.371.128.2000112.5H326 Q331 H332 R333H326-D329 IonicContact CD2-OD2 2.68Å; H326-D329 IonicContact CE1-OD2 2.78Å; H326-D329 IonicContact NE2-OD2 3.28Å; H326-D329 PolarHBondContact NE2-OD2 2.8Å; D329-Q331 PolarHBondContact O-N 2.98Å; D329-Q331 WeakPolarHBondContact OD1-CA 3.36Å; D329-Q331 PolarHBondContact OD1-N 2.86Å; D329-H332 VanDerWaalsContact CG-ND1 3.29Å; D329-H332 PolarHBondContact N-O 3.39Å; D329-H332 VanDerWaalsContact N-O 3.15Å; D329-H332 WeakPolarHBondContact OD1-CB 3.4Å; D329-H332 IonicContact OD1-CE1 2.71Å; D329-H332 IonicContact OD1-CG 3.86Å; D329-H332 PolarHBondContact OD1-N 2.83Å; D329-H332 IonicContact OD1-ND1 3.87Å; D329-H332 PolarHBondContact OD1-ND1 2.86Å; D329-H332 IonicContact OD2-CE1 3.89Å; D329-H332 IonicContact OD2-CG 3.64Å; D329-H332 IonicContact OD2-ND1 2.81Å; D329-H332 PolarHBondContact OD2-ND1 3.2Å; D329-R333 WeakPolarHBondContact O-CD 3.46Å
330G89.6Confident92.5Very high36 Ų3638 Ų3837%0.37124%0.243SC..SBendtrans-70.6-4-178.600000116.2R333G330-R333 PolarHBondContact O-NH1 2.03Å; G330-R333 PolarHBondContact O-NH2 2.77Å
331Q90.8Very high92.4Very high107 Ų10738.5 Ų38.550%0.525%0.245SC..SBendtrans-126.4-17.5178.4-68.6179.2-39.400112.7F272 D329F272-Q331 HydrophobicContact CD1-CB 4.28Å; F272-Q331 HydrophobicContact CD1-CG 4.27Å; F272-Q331 HydrophobicContact CD2-CG 4.35Å; F272-Q331 HydrophobicContact CE1-CG 4.47Å; F272-Q331 HydrophobicContact CG-CB 4.34Å; F272-Q331 HydrophobicContact CG-CG 4.22Å; D329-Q331 PolarHBondContact O-N 2.98Å; D329-Q331 WeakPolarHBondContact OD1-CA 3.36Å; D329-Q331 PolarHBondContact OD1-N 2.86Å
332H95Very high92.5Very high5 Ų544.2 Ų44.22%0.02327%0.266CS..SBendtrans-12581.5-175.4-52.597.9000110Y248 T322 H326 I328 D329 E408Y248-H332 HydrophobicContact CD2-CB 4.38Å; Y248-H332 HydrophobicContact CE1-CB 4.03Å; Y248-H332 VanDerWaalsContact CE1-O 3.29Å; Y248-H332 WeakPolarHBondContact CE1-O 3.42Å; Y248-H332 HydrophobicContact CE2-CB 3.87Å; T322-H332 WeakPolarHBondContact CG2-CD2 3.44Å; H326-H332 AromaticContact CD2-ND1 3.8Å; H326-H332 AromaticContact NE2-CE1 3.82Å; H326-H332 AromaticContact NE2-ND1 3.39Å; H326-H332 PolarHBondContact NE2-ND1 3.28Å; I328-H332 WeakPolarHBondContact CA-O 3.47Å; I328-H332 WeakPolarHBondContact CG2-O 3.43Å; D329-H332 VanDerWaalsContact CG-ND1 3.29Å; D329-H332 PolarHBondContact N-O 3.39Å; D329-H332 VanDerWaalsContact N-O 3.15Å; D329-H332 WeakPolarHBondContact OD1-CB 3.4Å; D329-H332 IonicContact OD1-CE1 2.71Å; D329-H332 IonicContact OD1-CG 3.86Å; D329-H332 PolarHBondContact OD1-N 2.83Å; D329-H332 IonicContact OD1-ND1 3.87Å; D329-H332 PolarHBondContact OD1-ND1 2.86Å; D329-H332 IonicContact OD2-CE1 3.89Å; D329-H332 IonicContact OD2-CG 3.64Å; D329-H332 IonicContact OD2-ND1 2.81Å; D329-H332 PolarHBondContact OD2-ND1 3.2Å; H332-E408 IonicContact CD2-OE1 2.87Å; H332-E408 IonicContact NE2-OE1 3.63Å; H332-E408 PolarHBondContact NE2-OE1 3.17Å
333R95.8Very high92.7Very high1 Ų144.7 Ų44.70%0.00427%0.269CS..  trans-154.3171.4-170.461.3-169.6177.9-169.8-5.2112.3Y248 N271 F272 C274 I328 D329 G330 E343 A350 S353Y248-R333 VanDerWaalsContact CD1-N 3.35Å; N271-R333 PolarHBondContact O-NH2 2.85Å; N271-R333 PolarHBondContact OD1-NH2 3.13Å; F272-R333 WeakPolarHBondContact O-CG 3.34Å; F272-R333 PolarHBondContact O-NE 2.98Å; C274-R333 PolarHBondContact SG-NH2 3.45Å; C274-R333 VanDerWaalsContact SG-NH2 3.45Å; I328-R333 HydrophobicContact CG2-CB 4.16Å; D329-R333 WeakPolarHBondContact O-CD 3.46Å; G330-R333 PolarHBondContact O-NH1 2.03Å; G330-R333 PolarHBondContact O-NH2 2.77Å; R333-E343 HydrophobicContact CB-CG 4.44Å; R333-A350 HydrophobicContact CB-CB 4.4Å; R333-A350 VanDerWaalsContact CD-O 3.3Å; R333-A350 WeakPolarHBondContact CD-O 3.46Å; R333-A350 PolarHBondContact NH1-O 3.16Å; R333-S353 PolarHBondContact NH1-OG 2.81Å; R333-S353 PolarHBondContact NH2-OG 3.47Å
334A97.4Very high93Very high0 Ų043.7 Ų43.70%026%0.264CS..  trans-141.993.817500000109.7F287 L296 E343 A344F287-A334 HydrophobicContact CD1-CB 3.99Å; F287-A334 HydrophobicContact CD2-CB 4.05Å; F287-A334 HydrophobicContact CE1-CB 3.93Å; F287-A334 HydrophobicContact CE2-CB 3.97Å; F287-A334 HydrophobicContact CG-CB 4.04Å; F287-A334 HydrophobicContact CZ-CB 3.88Å; L296-A334 HydrophobicContact CD1-CB 3.98Å; L296-A334 HydrophobicContact CD2-CB 3.71Å; L296-A334 HydrophobicContact CG-CB 4.48Å; A334-E343 CarbonylContact O-C 3.48Å; A334-E343 WeakPolarHBondContact O-CA 3.05Å; A334-A344 HydrophobicContact CB-CB 3.77Å; A334-A344 PolarHBondContact O-N 2.55Å
335C96.9Very high93.2Very high0 Ų043.8 Ų43.80%027%0.266CS..EExtended strand (participates in β ladder)trans-109.6130-164.3-66.30000112.6G273 L275 W341 R342 C351G273-C335 PolarHBondContact O-N 2.8Å; L275-C335 WeakPolarHBondContact CB-O 3.44Å; L275-C335 PolarHBondContact N-O 2.89Å; C335-W341 HydrophobicContact CB-CE3 4.02Å; C335-W341 HydrophobicContact CB-CZ3 4.35Å; C335-R342 CarbonylContact C-O 3.55Å; C335-R342 VanDerWaalsContact CA-O 3.31Å; C335-R342 WeakPolarHBondContact CA-O 3.29Å; C335-C351 HydrophobicContact CB-CB 3.78Å; C335-C351 WeakPolarHBondContact CB-SG 3.3Å; C335-C351 WeakPolarHBondContact SG-CA 3.34Å; C335-C351 WeakPolarHBondContact SG-CB 3.37Å; C335-C351 CovalentContact SG-SG 2.03Å; C335-C351 PolarHBondContact SG-SG 3.17Å
336S96.4Very high93.5Very high4 Ų442.1 Ų42.13%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-119150.8176.7-51.70000111.4F287 W341 R342F287-S336 WeakPolarHBondContact CB-OG 3.42Å; F287-S336 WeakPolarHBondContact CD2-OG 3.27Å; F287-S336 PolarHBondContact N-OG 3.01Å; S336-W341 CarbonylContact O-C 3.55Å; S336-W341 WeakPolarHBondContact O-CA 3.34Å; S336-R342 PolarHBondContact N-O 3.41Å; S336-R342 PolarHBondContact O-N 3.39Å
337Y93.2Very high93.7Very high81 Ų8143 Ų4332%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-98.2105.9175.1-170.2-95.8000111R279 W341R279-Y337 HydrophobicContact CB-CD1 4.15Å; R279-Y337 HydrophobicContact CB-CD2 4.4Å; R279-Y337 HydrophobicContact CB-CG 3.97Å; R279-Y337 HydrophobicContact CG-CD1 4.43Å; R279-Y337 HydrophobicContact CG-CD2 4.23Å; R279-Y337 HydrophobicContact CG-CE2 4.37Å; R279-Y337 HydrophobicContact CG-CG 4.26Å; Y337-W341 HydrophobicContact CD2-CD2 4.16Å; Y337-W341 AromaticContact CD2-CE2 3.94Å; Y337-W341 HydrophobicContact CD2-CG 4.42Å; Y337-W341 HydrophobicContact CD2-CZ2 4.35Å
338I90.7Very high93.8Very high87 Ų8741.8 Ų41.845%0.44626%0.255SS..SBendtrans-130.873.2-177.8-48.9178.8000108.5R286 G340R286-I338 HydrophobicContact CB-CD1 4.38Å; I338-G340 CarbonylContact C-O 3.55Å; I338-G340 PolarHBondContact N-O 2.97Å; I338-G340 PolarHBondContact O-N 2.89Å
339G85.1Confident93.7Very high79 Ų7945.5 Ų45.581%0.81428%0.281SS*.SBendtrans67.623.6-169.600000113.4
340G90.6Very high93.7Very high19 Ų1944.2 Ų44.220%0.19628%0.276CS..SBendtrans136.3160.3-167.600000110.4I338I338-G340 CarbonylContact C-O 3.55Å; I338-G340 PolarHBondContact N-O 2.97Å; I338-G340 PolarHBondContact O-N 2.89Å
341W93.9Very high93.9Very high23 Ų2342.5 Ų42.59%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-71.3139-177.3-66.3100.4000112.9C274 I276 C335 S336 Y337 C351 C354 E355C274-W341 HydrophobicContact CB-CH2 4.09Å; C274-W341 HydrophobicContact CB-CZ3 4.17Å; I276-W341 HydrophobicContact CG2-CH2 4.16Å; C335-W341 HydrophobicContact CB-CE3 4.02Å; C335-W341 HydrophobicContact CB-CZ3 4.35Å; S336-W341 CarbonylContact O-C 3.55Å; S336-W341 WeakPolarHBondContact O-CA 3.34Å; Y337-W341 HydrophobicContact CD2-CD2 4.16Å; Y337-W341 AromaticContact CD2-CE2 3.94Å; Y337-W341 HydrophobicContact CD2-CG 4.42Å; Y337-W341 HydrophobicContact CD2-CZ2 4.35Å; W341-C351 HydrophobicContact CB-CB 3.69Å; W341-C351 HydrophobicContact CG-CB 4.38Å; W341-C354 HydrophobicContact CD2-CB 3.51Å; W341-C354 HydrophobicContact CE3-CB 3.78Å; W341-C354 HydrophobicContact CG-CB 4.12Å; W341-C354 HydrophobicContact CH2-CB 3.79Å; W341-C354 HydrophobicContact CZ2-CB 3.5Å; W341-C354 HydrophobicContact CZ3-CB 3.92Å; W341-E355 VanDerWaalsContact CD1-OE2 3.27Å; W341-E355 PolarHBondContact NE1-OE2 2.94Å
342R95.5Very high93.9Very high121 Ų12140.9 Ų40.946%0.45726%0.263SS..EExtended strand (participates in β ladder)trans-136.6140.8175.7-66.5-63.1-179.1-92.81.9111C335 S336 D348C335-R342 CarbonylContact C-O 3.55Å; C335-R342 VanDerWaalsContact CA-O 3.31Å; C335-R342 WeakPolarHBondContact CA-O 3.29Å; S336-R342 PolarHBondContact N-O 3.41Å; S336-R342 PolarHBondContact O-N 3.39Å; R342-D348 VanDerWaalsContact CA-OD1 3.24Å; R342-D348 WeakPolarHBondContact CA-OD1 3.31Å; R342-D348 VanDerWaalsContact CD-CG 3.42Å; R342-D348 VanDerWaalsContact CD-OD1 3.31Å; R342-D348 WeakPolarHBondContact CD-OD1 3.2Å; R342-D348 WeakPolarHBondContact CD-OD2 3.3Å; R342-D348 IonicContact CZ-OD2 2.77Å; R342-D348 IonicContact NE-OD2 2.72Å; R342-D348 PolarHBondContact NE-OD2 2.88Å; R342-D348 IonicContact NH1-OD2 3.77Å
343E96.9Very high93.6Very high10 Ų1042.8 Ų42.85%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-98137.2177.7-162.6-81.2127.700110.8I328 R333 A334 S345 G346 V347 D348 C351I328-E343 HydrophobicContact CG2-CG 4.03Å; R333-E343 HydrophobicContact CB-CG 4.44Å; A334-E343 CarbonylContact O-C 3.48Å; A334-E343 WeakPolarHBondContact O-CA 3.05Å; E343-S345 PolarHBondContact O-N 2.96Å; E343-S345 VanDerWaalsContact O-N 3.11Å; E343-S345 WeakPolarHBondContact OE1-CB 3.38Å; E343-S345 PolarHBondContact OE1-N 2.77Å; E343-S345 PolarHBondContact OE1-OG 3.17Å; E343-S345 WeakPolarHBondContact OE2-CA 3.46Å; E343-S345 WeakPolarHBondContact OE2-CB 3.4Å; E343-S345 PolarHBondContact OE2-N 2.94Å; E343-S345 PolarHBondContact OE2-OG 3.01Å; E343-G346 PolarHBondContact O-N 2.9Å; E343-G346 PolarHBondContact OE2-N 3.1Å; E343-G346 VanDerWaalsContact OE2-N 3.07Å; E343-V347 HydrophobicContact CG-CB 4.47Å; E343-V347 PolarHBondContact OE2-N 3.43Å; E343-D348 PolarHBondContact N-OD1 2.9Å; E343-C351 VanDerWaalsContact CB-SG 3.58Å
344A96.9Very high93.3Very high14 Ų1442.9 Ų42.912%0.11628%0.278CS..THydrogen-bonded Turntrans-59.1-25.4-173.700000114.5F287 M288 A289 R290 L296 A334F287-A344 HydrophobicContact CB-CB 3.97Å; M288-A344 WeakPolarHBondContact O-CB 3.37Å; A289-A344 CarbonylContact C-O 3.55Å; A289-A344 WeakPolarHBondContact CA-O 3.49Å; R290-A344 PolarHBondContact N-O 3.07Å; L296-A344 HydrophobicContact CD1-CB 4.14Å; A334-A344 HydrophobicContact CB-CB 3.77Å; A334-A344 PolarHBondContact O-N 2.55Å
345S95.2Very high92.6Very high45 Ų4547.5 Ų47.532%0.31530%0.299SS..THydrogen-bonded Turntrans-102.54.1179.9-23.50000112.4R290 I328 E343R290-S345 PolarHBondContact NE-OG 3.07Å; I328-S345 VanDerWaalsContact CD1-CB 3.46Å; I328-S345 WeakPolarHBondContact CD1-OG 3.42Å; E343-S345 PolarHBondContact O-N 2.96Å; E343-S345 VanDerWaalsContact O-N 3.11Å; E343-S345 WeakPolarHBondContact OE1-CB 3.38Å; E343-S345 PolarHBondContact OE1-N 2.77Å; E343-S345 PolarHBondContact OE1-OG 3.17Å; E343-S345 WeakPolarHBondContact OE2-CA 3.46Å; E343-S345 WeakPolarHBondContact OE2-CB 3.4Å; E343-S345 PolarHBondContact OE2-N 2.94Å; E343-S345 PolarHBondContact OE2-OG 3.01Å
346G93.5Very high91.1Very high58 Ų5852 Ų5260%0.59833%0.331SS*.SBendtrans90.92.1177.400000116.2E343 D348E343-G346 PolarHBondContact O-N 2.9Å; E343-G346 PolarHBondContact OE2-N 3.1Å; E343-G346 VanDerWaalsContact OE2-N 3.07Å; G346-D348 VanDerWaalsContact C-N 3.27Å; G346-D348 PolarHBondContact O-N 3.19Å; G346-D348 VanDerWaalsContact O-N 3.12Å
347V94.7Very high89.3Confident60 Ų6053 Ų5336%0.36434%0.342SS..  trans-89.656.7-178.3-164.40000111.3I328 E343 P349 A350I328-V347 HydrophobicContact CB-CB 4.23Å; I328-V347 HydrophobicContact CB-CG1 4.43Å; I328-V347 HydrophobicContact CB-CG2 4.15Å; I328-V347 HydrophobicContact CD1-CG2 3.96Å; I328-V347 HydrophobicContact CG2-CB 3.9Å; I328-V347 HydrophobicContact CG2-CG1 4.29Å; I328-V347 HydrophobicContact CG2-CG2 4.29Å; E343-V347 HydrophobicContact CG-CB 4.47Å; E343-V347 PolarHBondContact OE2-N 3.43Å; V347-P349 VanDerWaalsContact C-N 3.3Å; V347-P349 WeakPolarHBondContact O-CD 3.4Å; V347-A350 HydrophobicContact CG1-CB 4.32Å; V347-A350 VanDerWaalsContact O-CB 3.28Å; V347-A350 WeakPolarHBondContact O-CB 3.48Å; V347-A350 PolarHBondContact O-N 2.75Å
348D94.3Very high87.1Confident58 Ų5856.5 Ų56.531%0.3137%0.366SS..G310 helixtrans-45-39.2-176-71.6-11.5000115.9R342 E343 G346 A350 C351R342-D348 VanDerWaalsContact CA-OD1 3.24Å; R342-D348 WeakPolarHBondContact CA-OD1 3.31Å; R342-D348 VanDerWaalsContact CD-CG 3.42Å; R342-D348 VanDerWaalsContact CD-OD1 3.31Å; R342-D348 WeakPolarHBondContact CD-OD1 3.2Å; R342-D348 WeakPolarHBondContact CD-OD2 3.3Å; R342-D348 IonicContact CZ-OD2 2.77Å; R342-D348 IonicContact NE-OD2 2.72Å; R342-D348 PolarHBondContact NE-OD2 2.88Å; R342-D348 IonicContact NH1-OD2 3.77Å; E343-D348 PolarHBondContact N-OD1 2.9Å; G346-D348 VanDerWaalsContact C-N 3.27Å; G346-D348 PolarHBondContact O-N 3.19Å; G346-D348 VanDerWaalsContact O-N 3.12Å; D348-A350 PolarHBondContact O-N 2.85Å; D348-A350 VanDerWaalsContact O-N 3.16Å; D348-C351 WeakPolarHBondContact O-CB 3.32Å; D348-C351 PolarHBondContact O-N 3.31Å
349P93.1Very high84.9Confident107 Ų10755 Ų5570%0.69536%0.361SS*.G310 helixtrans-59.5-25178-2636.7000114.6V347 C351 A352V347-P349 VanDerWaalsContact C-N 3.3Å; V347-P349 WeakPolarHBondContact O-CD 3.4Å; P349-C351 PolarHBondContact O-N 3.49Å; P349-A352 WeakPolarHBondContact O-CB 3.46Å; P349-A352 PolarHBondContact O-N 3.05Å
350A93Very high82.9Confident13 Ų1356.6 Ų56.611%0.10735%0.349CS..G310 helixtrans-64-25.3176.200000112.4I328 R333 V347 D348 A352I328-A350 HydrophobicContact CG2-CB 3.82Å; R333-A350 HydrophobicContact CB-CB 4.4Å; R333-A350 VanDerWaalsContact CD-O 3.3Å; R333-A350 WeakPolarHBondContact CD-O 3.46Å; R333-A350 PolarHBondContact NH1-O 3.16Å; V347-A350 HydrophobicContact CG1-CB 4.32Å; V347-A350 VanDerWaalsContact O-CB 3.28Å; V347-A350 WeakPolarHBondContact O-CB 3.48Å; V347-A350 PolarHBondContact O-N 2.75Å; D348-A350 PolarHBondContact O-N 2.85Å; D348-A350 VanDerWaalsContact O-N 3.16Å; A350-A352 VanDerWaalsContact C-N 3.3Å; A350-A352 PolarHBondContact O-N 2.7Å
351C94.2Very high80.4Confident0 Ų060.1 Ų60.10%037%0.371CS..G310 helixtrans-82.20.9178.6-56.40000114.3C335 W341 E343 D348 P349 S353 C354C335-C351 HydrophobicContact CB-CB 3.78Å; C335-C351 WeakPolarHBondContact CB-SG 3.3Å; C335-C351 WeakPolarHBondContact SG-CA 3.34Å; C335-C351 WeakPolarHBondContact SG-CB 3.37Å; C335-C351 CovalentContact SG-SG 2.03Å; C335-C351 PolarHBondContact SG-SG 3.17Å; W341-C351 HydrophobicContact CB-CB 3.69Å; W341-C351 HydrophobicContact CG-CB 4.38Å; E343-C351 VanDerWaalsContact CB-SG 3.58Å; D348-C351 WeakPolarHBondContact O-CB 3.32Å; D348-C351 PolarHBondContact O-N 3.31Å; P349-C351 PolarHBondContact O-N 3.49Å; C351-S353 VanDerWaalsContact C-N 3.27Å; C351-S353 PolarHBondContact O-N 2.61Å; C351-C354 VanDerWaalsContact O-CB 3.23Å; C351-C354 WeakPolarHBondContact O-CB 3.33Å; C351-C354 PolarHBondContact O-N 3.23Å
352A89.3Confident77.8Confident73 Ų7367.1 Ų67.160%0.60340%0.399SS*.Hα-helixtrans-56.7-36.2-173.300000113.9P349 A350 C354 E355P349-A352 WeakPolarHBondContact O-CB 3.46Å; P349-A352 PolarHBondContact O-N 3.05Å; A350-A352 VanDerWaalsContact C-N 3.3Å; A350-A352 PolarHBondContact O-N 2.7Å; A352-C354 VanDerWaalsContact C-N 3.3Å; A352-C354 PolarHBondContact O-N 3.28Å; A352-E355 PolarHBondContact O-N 2.89Å
353S89.6Confident74.9Confident46 Ų4667.4 Ų67.432%0.32241%0.414SS..Hα-helixtrans-81.60.4177.566.50000115N271 R333 C351 E355 S356 G357N271-S353 PolarHBondContact ND2-O 2.93Å; R333-S353 PolarHBondContact NH1-OG 2.81Å; R333-S353 PolarHBondContact NH2-OG 3.47Å; C351-S353 VanDerWaalsContact C-N 3.27Å; C351-S353 PolarHBondContact O-N 2.61Å; S353-E355 VanDerWaalsContact C-N 3.32Å; S353-S356 WeakPolarHBondContact CA-OG 3.21Å; S353-S356 PolarHBondContact O-OG 2.85Å; S353-G357 PolarHBondContact O-N 2.86Å
354C89.6Confident71.8Confident2 Ų271.1 Ų71.11%0.01445%0.447CS..Hα-helixtrans-70.7-29.6167.4-62.60000111.7C274 R279 W341 C351 A352C274-C354 HydrophobicContact CB-CB 3.72Å; C274-C354 WeakPolarHBondContact CB-SG 3.49Å; C274-C354 WeakPolarHBondContact SG-CA 3.18Å; C274-C354 WeakPolarHBondContact SG-CB 3.43Å; C274-C354 CovalentContact SG-SG 2.03Å; C274-C354 PolarHBondContact SG-SG 2.87Å; R279-C354 PolarHBondContact NH1-O 2.86Å; W341-C354 HydrophobicContact CD2-CB 3.51Å; W341-C354 HydrophobicContact CE3-CB 3.78Å; W341-C354 HydrophobicContact CG-CB 4.12Å; W341-C354 HydrophobicContact CH2-CB 3.79Å; W341-C354 HydrophobicContact CZ2-CB 3.5Å; W341-C354 HydrophobicContact CZ3-CB 3.92Å; C351-C354 VanDerWaalsContact O-CB 3.23Å; C351-C354 WeakPolarHBondContact O-CB 3.33Å; C351-C354 PolarHBondContact O-N 3.23Å; A352-C354 VanDerWaalsContact C-N 3.3Å; A352-C354 PolarHBondContact O-N 3.28Å
355E82.3Confident68.9Low97 Ų9776.5 Ų76.545%0.45348%0.481SS..Hα-helixtrans-70.1-37.8177.8-166.158.1-144.800111.6R279 W341 A352 S353R279-E355 IonicContact CZ-OE1 3.53Å; R279-E355 IonicContact CZ-OE2 2.67Å; R279-E355 IonicContact NE-OE1 3.81Å; R279-E355 IonicContact NE-OE2 3.34Å; R279-E355 PolarHBondContact NH2-O 3.5Å; R279-E355 IonicContact NH2-OE1 2.76Å; R279-E355 PolarHBondContact NH2-OE1 2.9Å; R279-E355 IonicContact NH2-OE2 2.8Å; R279-E355 PolarHBondContact NH2-OE2 2.95Å; W341-E355 VanDerWaalsContact CD1-OE2 3.27Å; W341-E355 PolarHBondContact NE1-OE2 2.94Å; A352-E355 PolarHBondContact O-N 2.89Å; S353-E355 VanDerWaalsContact C-N 3.32Å
356S65.8Low65.9Low94 Ų9477.7 Ų77.766%0.65750%0.5SS*.THydrogen-bonded Turntrans-87.36.2-179.161.30000115S353S353-S356 WeakPolarHBondContact CA-OG 3.21Å; S353-S356 PolarHBondContact O-OG 2.85Å
357G57.2Low63.2Low25 Ų2580.5 Ų80.526%0.25851%0.505SS..SBendtrans-72.6125.3172.500000110.5S353 V359S353-G357 PolarHBondContact O-N 2.86Å; G357-V359 PolarHBondContact O-N 2.8Å
358D47.7Very low60.1Low156 Ų15682.2 Ų82.283%0.83453%0.526SS*.  trans-61.3103.2170.9-88.3-40.9000109.4I360D358-I360 VanDerWaalsContact C-N 3.35Å; D358-I360 WeakPolarHBondContact O-CG1 3.36Å; D358-I360 PolarHBondContact O-N 2.97Å
359V44.9Very low57.4Low54 Ų5488.7 Ų88.733%0.32755%0.551SS.*  trans-72.291.5175.9179.90000108.2I280 G357 S361I280-V359 HydrophobicContact CD1-CG1 3.66Å; I280-V359 HydrophobicContact CG1-CG1 4.02Å; G357-V359 PolarHBondContact O-N 2.8Å; V359-S361 VanDerWaalsContact C-N 3.28Å; V359-S361 PolarHBondContact O-N 2.67Å; V359-S361 PolarHBondContact O-OG 2.87Å; V359-S361 VanDerWaalsContact O-OG 3.13Å
360I43.3Very low54.5Low113 Ų11387.1 Ų87.158%0.57955%0.554SS**  trans-69.290.2-178.5-41.4-178000109.8D358 Y362D358-I360 VanDerWaalsContact C-N 3.35Å; D358-I360 WeakPolarHBondContact O-CG1 3.36Å; D358-I360 PolarHBondContact O-N 2.97Å; I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 HydrophobicContact CB-CD2 4.19Å; I360-Y362 HydrophobicContact CB-CE2 3.83Å; I360-Y362 HydrophobicContact CD1-CE2 4.49Å; I360-Y362 HydrophobicContact CG2-CD1 4.14Å; I360-Y362 HydrophobicContact CG2-CD2 3.81Å; I360-Y362 HydrophobicContact CG2-CE1 3.76Å; I360-Y362 HydrophobicContact CG2-CE2 3.42Å; I360-Y362 VanDerWaalsContact CG2-CE2 3.42Å; I360-Y362 HydrophobicContact CG2-CG 4.17Å; I360-Y362 WeakPolarHBondContact O-CD2 3.3Å; I360-Y362 PolarHBondContact O-N 2.8Å
361S38Very low51.6Low94 Ų9494 Ų9466%0.65759%0.59SS**  trans-78.680.6-177.3-61.90000109V359 T363V359-S361 VanDerWaalsContact C-N 3.28Å; V359-S361 PolarHBondContact O-N 2.67Å; V359-S361 PolarHBondContact O-OG 2.87Å; V359-S361 VanDerWaalsContact O-OG 3.13Å; S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.19Å
362Y39.7Very low48.7Very low169 Ų16999.8 Ų99.866%0.66363%0.627SS**  trans-69.782.9-177.9-77.3-66.3000112.5I360 A364I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 HydrophobicContact CB-CD2 4.19Å; I360-Y362 HydrophobicContact CB-CE2 3.83Å; I360-Y362 HydrophobicContact CD1-CE2 4.49Å; I360-Y362 HydrophobicContact CG2-CD1 4.14Å; I360-Y362 HydrophobicContact CG2-CD2 3.81Å; I360-Y362 HydrophobicContact CG2-CE1 3.76Å; I360-Y362 HydrophobicContact CG2-CE2 3.42Å; I360-Y362 VanDerWaalsContact CG2-CE2 3.42Å; I360-Y362 HydrophobicContact CG2-CG 4.17Å; I360-Y362 WeakPolarHBondContact O-CD2 3.3Å; I360-Y362 PolarHBondContact O-N 2.8Å; Y362-A364 PolarHBondContact O-N 2.86Å
363T34.8Very low45.8Very low127 Ų127104.4 Ų104.478%0.77964%0.64SS**  trans-59.5131.5150.951.90000108.7S361S361-T363 VanDerWaalsContact C-N 3.32Å; S361-T363 PolarHBondContact O-N 3.19Å
364A30.9Very low43.3Very low89 Ų89108.3 Ų108.374%0.73666%0.662SS**  trans-56.5142-177.200000112.2Y362 G366Y362-A364 PolarHBondContact O-N 2.86Å; A364-G366 PolarHBondContact O-N 2.94Å
365P35.6Very low40.6Very low127 Ų127116 Ų11683%0.82570%0.701SS**  trans-68.5103.6-177.227.1-34.2000111.3
366G32.9Very low38Very low69 Ų69117.2 Ų117.271%0.71172%0.716SS**  trans-62.9132.7169.800000111.1A364 A368A364-G366 PolarHBondContact O-N 2.94Å; G366-A368 PolarHBondContact O-N 2.7Å; G366-A368 VanDerWaalsContact O-N 3.12Å
367V37Very low36.4Very low118 Ų118118.2 Ų118.272%0.71572%0.723SS**  trans-67.7110-174.9-177.60000111.1F369V367-F369 HydrophobicContact CB-CE2 4.5Å; V367-F369 HydrophobicContact CG1-CD2 3.96Å; V367-F369 HydrophobicContact CG1-CE1 4.49Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.88Å
368A29.3Very low35.1Very low96 Ų96125.3 Ų125.379%0.79376%0.755SS**  trans-99.7108.3171.800000110.5G366 G370G366-A368 PolarHBondContact O-N 2.7Å; G366-A368 VanDerWaalsContact O-N 3.12Å; A368-G370 PolarHBondContact O-N 2.78Å
369F37.4Very low34.3Very low194 Ų194121.4 Ų121.485%0.85175%0.752SS**  trans-76.7103.5175.6-72.2-86.8000111V367V367-F369 HydrophobicContact CB-CE2 4.5Å; V367-F369 HydrophobicContact CG1-CD2 3.96Å; V367-F369 HydrophobicContact CG1-CE1 4.49Å; V367-F369 HydrophobicContact CG1-CE2 3.58Å; V367-F369 HydrophobicContact CG1-CZ 3.88Å
370G31.5Very low33.6Very low73 Ų73122.9 Ų122.975%0.75378%0.777SS**PPolyproline II helixtrans-93.7125.2169.300000111.8A368A368-G370 PolarHBondContact O-N 2.78Å
371N31.8Very low32.9Very low159 Ų159121.8 Ų121.885%0.8579%0.794SS**PPolyproline II helixtrans-71.4153.6175.2-91.8-14.7000112.1
372P34.1Very low32.5Very low120 Ų120121 Ų12178%0.77980%0.8SS**PPolyproline II helixtrans-73.5141.3-168.929.5-36.2000113.3
373L29.5Very low32.1Very low170 Ų170122.6 Ų122.689%0.8981%0.814SS**PPolyproline II helixtrans-94.1129.1167.2-83.4168.8000110.9
374V36.5Very low31.9Very low129 Ų129125.8 Ų125.878%0.78282%0.82SS**PPolyproline II helixtrans-75.7136172.2176.80000109.2
375I31.6Very low31.9Very low162 Ų162127.1 Ų127.183%0.83182%0.819SS**  trans-118.5123.9164.8-62.2-178.8000108.1
376T28.9Very low31.6Very low124 Ų124127 Ų12776%0.76182%0.818SS**  trans-77.8141.4179.145.10000111.4
377S32Very low31.3Very low115 Ų115131.9 Ų131.980%0.80482%0.823SS**  trans-70.3136.216754.80000111.3
378D30.5Very low31Very low173 Ų173131.5 Ų131.593%0.92582%0.821SS**  trans-145.5153147.4-137.2-25000110.6
379G30.3Very low31Very low75 Ų75131.7 Ų131.777%0.77381%0.813SS**  trans-117.4140.3-161.400000115.6
380G29.2Very low30.6Very low84 Ų84132.5 Ų132.587%0.86681%0.813SS**  trans-147.4110.2169.800000110.6
381G29.1Very low30.6Very low90 Ų90136 Ų13693%0.92881%0.814SS**  trans-88.8143.7-170.200000114.7
382G29.1Very low30.7Very low77 Ų77135.9 Ų135.979%0.79481%0.812SS**  trans-148.1106.2168.100000110.7Q384G382-Q384 PolarHBondContact O-N 3.5Å
383Q31.7Very low30.7Very low203 Ų203135.9 Ų135.995%0.94981%0.812SS**  trans-77.3117.3178-83.4-179.1-44.900111.2
384Q30.9Very low31.1Very low195 Ų195136.4 Ų136.491%0.91181%0.808SS**  trans-134.8150.6155.2-67.4-166.52.800109.8G382G382-Q384 PolarHBondContact O-N 3.5Å
385T30.5Very low31Very low117 Ų117135.9 Ų135.972%0.71881%0.81SS**  trans-80.5154.4-172.542.20000112.4Q387T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 3.07Å
386P28.9Very low31.3Very low123 Ų123138.7 Ų138.780%0.79981%0.81SS**  trans-72.785.3-179.430-35.5000111.8V388P386-V388 PolarHBondContact O-N 3.19Å
387Q27.1Very low31.8Very low172 Ų172142.4 Ų142.480%0.80482%0.816SS**  trans-71.2106.2161.6-75.6-85.8-63.300108.7T385 P389T385-Q387 VanDerWaalsContact C-N 3.35Å; T385-Q387 PolarHBondContact O-N 3.07Å; Q387-P389 VanDerWaalsContact O-CD 3.25Å; Q387-P389 WeakPolarHBondContact O-CD 3.43Å
388V30.2Very low32.1Very low111 Ų111141.6 Ų141.667%0.67382%0.816SS**  trans-82.8111.6171.6177.10000108.8P386 Y390P386-V388 PolarHBondContact O-N 3.19Å; V388-Y390 PolarHBondContact O-N 2.83Å
389P29.6Very low32.6Very low99 Ų99142 Ų14264%0.64381%0.805SS**  trans-85.8113.7178.2-2.122.9000109.4Q387 N391Q387-P389 VanDerWaalsContact O-CD 3.25Å; Q387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-N391 PolarHBondContact O-N 2.65Å
390Y28.7Very low32.9Very low212 Ų212143.2 Ų143.283%0.83179%0.794SS**  trans-72.875.4171.4-78.4-92.8000110.8V388 L392V388-Y390 PolarHBondContact O-N 2.83Å; Y390-L392 PolarHBondContact O-N 3.37Å
391N32.1Very low33.6Very low145 Ų145145.8 Ų145.878%0.77579%0.792SS**  trans-73.395.7173.4-82.6-8.3000110.5P389 P393P389-N391 PolarHBondContact O-N 2.65Å; N391-P393 WeakPolarHBondContact O-CD 3.46Å
392L33.6Very low34.1Very low158 Ų158147 Ų14783%0.82778%0.782SS**  trans-57.3115.4173.3-73.4158000111Y390 F394Y390-L392 PolarHBondContact O-N 3.37Å; L392-F394 PolarHBondContact O-N 3.1Å
393P35.3Very low34.6Very low120 Ų120150.5 Ų150.578%0.77978%0.777SS**SBendtrans-85.152.2-172.736-37.2000112.5N391N391-P393 WeakPolarHBondContact O-CD 3.46Å
394F37.8Very low35.2Very low180 Ų180146.8 Ų146.879%0.78977%0.771SS**  trans-145.255.4176.2-106.9-68.7000114L392 R396L392-F394 PolarHBondContact O-N 3.1Å; F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 HydrophobicContact CD1-CG 4.31Å; F394-R396 PolarHBondContact O-N 3.35Å
395S32.9Very low36.4Very low119 Ų119143.4 Ų143.483%0.83276%0.755SS**  trans-67.995.2156.2-171.70000108.7K397S395-K397 PolarHBondContact O-N 2.99Å
396R38.8Very low38.1Very low220 Ų220141 Ų14183%0.8374%0.738SS**  trans-63.9106171.5-83.4-174.1-88.1-172.5-7.1108.1F394 A398F394-R396 VanDerWaalsContact C-N 3.33Å; F394-R396 HydrophobicContact CD1-CG 4.31Å; F394-R396 PolarHBondContact O-N 3.35Å; R396-A398 PolarHBondContact O-N 3.28Å
397K38.9Very low40.1Very low202 Ų202138.9 Ų138.988%0.87872%0.722SS**  trans-50130.2165.4-70.7-176.5178.3179.50107.9S395 R399S395-K397 PolarHBondContact O-N 2.99Å; K397-R399 PolarHBondContact O-N 2.69Å
398A39.7Very low42.8Very low99 Ų99133.6 Ų133.682%0.81870%0.698SS**  trans-61.5127.5169.100000108R396 D400R396-A398 PolarHBondContact O-N 3.28Å; A398-D400 PolarHBondContact O-N 2.68Å
399R40Very low45.6Very low181 Ų181130 Ų13068%0.68367%0.672SS**  trans-71.9113.8178.6-161.4-177.4-157.1161.77.6107.7K397 V401 E405K397-R399 PolarHBondContact O-N 2.69Å; R399-V401 PolarHBondContact O-N 2.79Å; R399-E405 IonicContact CZ-OE1 2.74Å; R399-E405 IonicContact CZ-OE2 2.98Å; R399-E405 IonicContact NE-OE1 2.66Å; R399-E405 IonicContact NE-OE2 3.99Å; R399-E405 PolarHBondContact NE-OE2 2.95Å; R399-E405 IonicContact NH2-OE1 2.67Å; R399-E405 PolarHBondContact NH2-OE1 3.14Å; R399-E405 IonicContact NH2-OE2 3.84Å; R399-E405 PolarHBondContact NH2-OE2 3.2Å
400D36.9Very low48.5Very low101 Ų101130.5 Ų130.554%0.5467%0.666SS.*  trans-71.8119.1172.6-167.1-28.5000108.3A398 T402A398-D400 PolarHBondContact O-N 2.68Å; D400-T402 VanDerWaalsContact C-N 3.25Å; D400-T402 PolarHBondContact O-N 3.38Å; D400-T402 WeakPolarHBondContact OD1-CB 3.27Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.24Å; D400-T402 PolarHBondContact OD1-N 2.93Å; D400-T402 PolarHBondContact OD1-OG1 2.8Å
401V44.5Very low51.5Low137 Ų137121.5 Ų121.583%0.8364%0.637SS**THydrogen-bonded Turntrans-85.9-0.4-174.8-169.30000111.2R399R399-V401 PolarHBondContact O-N 2.79Å
402T38.6Very low54.4Low116 Ų116119.6 Ų119.671%0.71263%0.627SS**THydrogen-bonded Turntrans-89.6-11.5-177.666.40000114.6D400D400-T402 VanDerWaalsContact C-N 3.25Å; D400-T402 PolarHBondContact O-N 3.38Å; D400-T402 WeakPolarHBondContact OD1-CB 3.27Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.24Å; D400-T402 PolarHBondContact OD1-N 2.93Å; D400-T402 PolarHBondContact OD1-OG1 2.8Å
403Q38.7Very low57.3Low150 Ų150113.7 Ų113.770%0.70160%0.597SS**SBendtrans-101.5132.5173.7-66.7-172.5-10.800110.7E405Q403-E405 PolarHBondContact O-N 2.94Å; Q403-E405 VanDerWaalsContact O-N 3.11Å
404P46Very low60.2Low126 Ų126110.9 Ų110.982%0.81858%0.578SS**  trans-67.7109.716728.7-31.5000108.3L406P404-L406 PolarHBondContact O-N 3Å; P404-L406 VanDerWaalsContact O-N 3.12Å
405E54.7Low62.9Low123 Ų123102.9 Ų102.958%0.57554%0.543SS*.  trans-65.3111177.8-158.4168.6131.600108.6R399 Q403 V407R399-E405 IonicContact CZ-OE1 2.74Å; R399-E405 IonicContact CZ-OE2 2.98Å; R399-E405 IonicContact NE-OE1 2.66Å; R399-E405 IonicContact NE-OE2 3.99Å; R399-E405 PolarHBondContact NE-OE2 2.95Å; R399-E405 IonicContact NH2-OE1 2.67Å; R399-E405 PolarHBondContact NH2-OE1 3.14Å; R399-E405 IonicContact NH2-OE2 3.84Å; R399-E405 PolarHBondContact NH2-OE2 3.2Å; Q403-E405 PolarHBondContact O-N 2.94Å; Q403-E405 VanDerWaalsContact O-N 3.11Å; E405-V407 PolarHBondContact O-N 2.82Å
406L66.3Low65.5Low68 Ų6898.5 Ų98.536%0.35652%0.517SS..  trans-63.3112.2-179.8175.958.4000108.7T322 H326 P404 E408T322-L406 HydrophobicContact CG2-CD1 4.41Å; T322-L406 HydrophobicContact CG2-CD2 4.48Å; H326-L406 HydrophobicContact CB-CD1 4.14Å; P404-L406 PolarHBondContact O-N 3Å; P404-L406 VanDerWaalsContact O-N 3.12Å; L406-E408 HydrophobicContact CG-CB 4.37Å; L406-E408 PolarHBondContact O-N 2.82Å
407V72.1Confident68Low77 Ų7790.8 Ų90.847%0.46750%0.496SS..  trans-75.798170.8-167.70000107.3E405 W409E405-V407 PolarHBondContact O-N 2.82Å; V407-W409 HydrophobicContact CB-CH2 4.12Å; V407-W409 HydrophobicContact CB-CZ3 4.32Å; V407-W409 HydrophobicContact CG1-CD2 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.31Å; V407-W409 HydrophobicContact CG1-CH2 3.44Å; V407-W409 VanDerWaalsContact CG1-CH2 3.44Å; V407-W409 HydrophobicContact CG1-CZ2 3.45Å; V407-W409 VanDerWaalsContact CG1-CZ2 3.45Å; V407-W409 HydrophobicContact CG1-CZ3 3.89Å; V407-W409 VanDerWaalsContact O-CZ3 3.31Å; V407-W409 WeakPolarHBondContact O-CZ3 3.15Å
408E84Confident70.6Confident62 Ų6281.2 Ų81.229%0.2945%0.454SS..EExtended strand (participates in β ladder)trans-109.3144.4174.1-179.7171.9-149.900109.2K320 A321 H332 L406 E410K320-E408 WeakPolarHBondContact CD-OE1 3.36Å; K320-E408 WeakPolarHBondContact CE-OE1 3.49Å; K320-E408 VanDerWaalsContact CG-OE1 3.3Å; K320-E408 WeakPolarHBondContact CG-OE1 3.4Å; K320-E408 VanDerWaalsContact NZ-CD 3.25Å; K320-E408 IonicContact NZ-OE1 3.2Å; K320-E408 PolarHBondContact NZ-OE1 2.83Å; K320-E408 IonicContact NZ-OE2 3.3Å; K320-E408 PolarHBondContact NZ-OE2 2.86Å; A321-E408 WeakPolarHBondContact O-CA 3.28Å; H332-E408 IonicContact CD2-OE1 2.87Å; H332-E408 IonicContact NE2-OE1 3.63Å; H332-E408 PolarHBondContact NE2-OE1 3.17Å; L406-E408 HydrophobicContact CG-CB 4.37Å; L406-E408 PolarHBondContact O-N 2.82Å; E408-E410 HydrophobicContact CG-CG 4.42Å
409W87.7Confident73.1Confident35 Ų3578.2 Ų78.213%0.13343%0.426CS..EExtended strand (participates in β ladder)trans-123.4138173-60.6-99.3000109.6L205 F207 L245 K320 A321 V407L205-W409 HydrophobicContact CD1-CB 3.69Å; L205-W409 HydrophobicContact CD1-CD2 3.5Å; L205-W409 VanDerWaalsContact CD1-CD2 3.5Å; L205-W409 HydrophobicContact CD1-CE3 3.99Å; L205-W409 HydrophobicContact CD1-CG 3.39Å; L205-W409 HydrophobicContact CG-CD2 4.5Å; L205-W409 HydrophobicContact CG-CG 4.23Å; F207-W409 HydrophobicContact CZ-CB 4.42Å; L245-W409 HydrophobicContact CD2-CE3 4.25Å; L245-W409 HydrophobicContact CD2-CH2 3.91Å; L245-W409 HydrophobicContact CD2-CZ3 3.52Å; K320-W409 CarbonylContact C-O 3.56Å; K320-W409 WeakPolarHBondContact CA-O 3.1Å; A321-W409 PolarHBondContact N-O 2.69Å; A321-W409 PolarHBondContact O-N 3.41Å; V407-W409 HydrophobicContact CB-CH2 4.12Å; V407-W409 HydrophobicContact CB-CZ3 4.32Å; V407-W409 HydrophobicContact CG1-CD2 4.33Å; V407-W409 HydrophobicContact CG1-CE3 4.31Å; V407-W409 HydrophobicContact CG1-CH2 3.44Å; V407-W409 VanDerWaalsContact CG1-CH2 3.44Å; V407-W409 HydrophobicContact CG1-CZ2 3.45Å; V407-W409 VanDerWaalsContact CG1-CZ2 3.45Å; V407-W409 HydrophobicContact CG1-CZ3 3.89Å; V407-W409 VanDerWaalsContact O-CZ3 3.31Å; V407-W409 WeakPolarHBondContact O-CZ3 3.15Å
410E91.9Very high75.5Confident110 Ų11069.8 Ų69.851%0.51440%0.395SS..EExtended strand (participates in β ladder)trans-122.5155.3-177.2-55.3-168.2124.300111.4H318 L319 K320 E408H318-E410 IonicContact CE1-OE1 3.64Å; H318-E410 PolarHBondContact CE1-OE1 3.12Å; L319-E410 CarbonylContact O-C 3.56Å; L319-E410 VanDerWaalsContact O-CA 3.31Å; L319-E410 WeakPolarHBondContact O-CA 3.35Å; K320-E410 WeakPolarHBondContact CE-OE1 3.33Å; K320-E410 HydrophobicContact CG-CG 4.37Å; K320-E410 IonicContact NZ-OE1 3.19Å; K320-E410 PolarHBondContact NZ-OE1 2.66Å; E408-E410 HydrophobicContact CG-CG 4.42Å
411G91.3Very high77.9Confident22 Ų2268.2 Ų68.223%0.22739%0.385CS..EExtended strand (participates in β ladder)trans-176.9137.4169.800000114.1L319L319-G411 WeakPolarHBondContact CB-O 3.32Å; L319-G411 PolarHBondContact N-O 3.17Å; L319-G411 PolarHBondContact O-N 3.2Å
412D92.8Very high79.8Confident106 Ų10667.1 Ų67.157%0.56737%0.371SS*.EExtended strand (participates in β ladder)trans-82137.4172.8-68.1-68.7000111.8T316 C317 H318T316-D412 HydrophobicContact CG2-CB 4.27Å; C317-D412 WeakPolarHBondContact O-CA 3.25Å; H318-D412 WeakPolarHBondContact CA-OD1 3.28Å; H318-D412 WeakPolarHBondContact CB-OD1 3.3Å; H318-D412 IonicContact CD2-OD1 2.77Å; H318-D412 PolarHBondContact CD2-OD1 3.23Å; H318-D412 IonicContact CD2-OD2 2.96Å; H318-D412 IonicContact CG-OD1 2.67Å
413V95.1Very high81.7Confident33 Ų3366.6 Ų66.620%0.236%0.359CS..EExtended strand (participates in β ladder)trans-132.1133.2173.5178.20000109.9F207 M209 T316 C317 L319F207-V413 HydrophobicContact CB-CG2 3.9Å; M209-V413 HydrophobicContact CB-CG1 3.82Å; M209-V413 HydrophobicContact CG-CB 3.93Å; M209-V413 HydrophobicContact CG-CG1 3.64Å; M209-V413 HydrophobicContact SD-CB 3.74Å; M209-V413 HydrophobicContact SD-CG1 3.79Å; M209-V413 VanDerWaalsContact SD-O 3.39Å; T316-V413 WeakPolarHBondContact CA-O 3.5Å; C317-V413 PolarHBondContact N-O 3.19Å; C317-V413 PolarHBondContact O-N 3.15Å; L319-V413 HydrophobicContact CD1-CB 4.01Å; L319-V413 HydrophobicContact CD1-CG2 3.77Å
414T95.1Very high83.2Confident62 Ų6269.5 Ų69.538%0.3837%0.369SS..EExtended strand (participates in β ladder)trans-111.3126.8-179.3-53.70000111.5Y314 I315 T316Y314-T414 HydrophobicContact CD1-CG2 4.2Å; I315-T414 CarbonylContact O-C 3.34Å; I315-T414 WeakPolarHBondContact O-CA 3.26Å; T316-T414 WeakPolarHBondContact OG1-CB 3.43Å; T316-T414 WeakPolarHBondContact OG1-CG2 3.46Å; T316-T414 PolarHBondContact OG1-OG1 2.9Å
415L94Very high83.5Confident11 Ų1175.3 Ų75.36%0.05839%0.392CS..EExtended strand (participates in β ladder)trans-98.3136.2165.7-69.4179.8000110.7M209 L211 I233 Y314 I315 I418M209-L415 HydrophobicContact CB-CD1 3.99Å; M209-L415 HydrophobicContact CB-CD2 3.93Å; M209-L415 HydrophobicContact CB-CG 3.85Å; M209-L415 HydrophobicContact CE-CD1 3.84Å; M209-L415 HydrophobicContact CE-CG 4.09Å; L211-L415 HydrophobicContact CD2-CD1 3.92Å; L211-L415 HydrophobicContact CG-CD1 4.14Å; I233-L415 HydrophobicContact CG1-CD1 4.28Å; I233-L415 HydrophobicContact CG2-CD1 4.14Å; Y314-L415 CarbonylContact C-O 3.3Å; Y314-L415 VanDerWaalsContact CA-O 3.3Å; Y314-L415 WeakPolarHBondContact CA-O 3.29Å; I315-L415 PolarHBondContact N-O 2.68Å; I315-L415 PolarHBondContact O-N 3.39Å; L415-I418 HydrophobicContact CB-CD1 4.41Å
416G88.3Confident84.9Confident28 Ų2872.9 Ų72.929%0.28938%0.382SS..EExtended strand (participates in β ladder)trans148.2179.7167.500000114.1
417P91.6Very high85.9Confident58 Ų5873.2 Ų73.238%0.37738%0.384SS..EExtended strand (participates in β ladder)cis-70.9141.5-0.827.9-34.1000113L312 Y314 P419L312-P417 HydrophobicContact CB-CB 4.46Å; L312-P417 HydrophobicContact CD1-CB 4.16Å; L312-P417 HydrophobicContact CD2-CB 4.32Å; Y314-P417 HydrophobicContact CE1-CB 4.09Å; Y314-P417 HydrophobicContact CE2-CB 4.2Å; P417-P419 WeakPolarHBondContact O-CD 3.42Å
418I93.7Very high86.7Confident0 Ų072.9 Ų72.90%038%0.379CS..EExtended strand (participates in β ladder)trans-109.999.8176.2-52.5-177.4000108.2L211 Y223 Y225 L312 I313 I315 L415 I420L211-I418 HydrophobicContact CD1-CD1 4.17Å; L211-I418 HydrophobicContact CD1-CG1 4.32Å; L211-I418 HydrophobicContact CD2-CD1 4.28Å; Y223-I418 WeakPolarHBondContact O-CG2 3.38Å; Y225-I418 HydrophobicContact CD2-CG2 3.66Å; Y225-I418 HydrophobicContact CE2-CG2 4.04Å; L312-I418 WeakPolarHBondContact CA-O 3.38Å; I313-I418 HydrophobicContact CG1-CB 3.95Å; I313-I418 HydrophobicContact CG1-CG2 4.47Å; I313-I418 PolarHBondContact N-O 2.9Å; I313-I418 PolarHBondContact O-N 2.93Å; I315-I418 HydrophobicContact CD1-CD1 3.93Å; I315-I418 HydrophobicContact CG1-CD1 4.35Å; L415-I418 HydrophobicContact CB-CD1 4.41Å; I418-I420 HydrophobicContact CG2-CD1 4.48Å; I418-I420 HydrophobicContact CG2-CG1 4.19Å; I418-I420 PolarHBondContact O-N 3.4Å
419P91.4Very high86.8Confident36 Ų3673.6 Ų73.623%0.23439%0.385CS..EExtended strand (participates in β ladder)trans-70.5118.8172.721.9-30.1000112.4Y223 Q224 Y225 L312 P417Y223-P419 VanDerWaalsContact O-CD 3.3Å; Y223-P419 WeakPolarHBondContact O-CD 3.35Å; Q224-P419 WeakPolarHBondContact CA-O 3.29Å; Q224-P419 HydrophobicContact CB-CG 4.14Å; Q224-P419 HydrophobicContact CG-CG 4.41Å; Y225-P419 PolarHBondContact N-O 2.74Å; L312-P419 HydrophobicContact CD2-CB 3.7Å; L312-P419 HydrophobicContact CD2-CG 4.39Å; P417-P419 WeakPolarHBondContact O-CD 3.42Å
420I91Very high86.8Confident4 Ų476 Ų762%0.02140%0.4CS..EExtended strand (participates in β ladder)trans-111.9114.8176.9-62.8174.8000108.6Y225 L227 I231 A302 F303 G311 I313 I418Y225-I420 WeakPolarHBondContact O-CA 3.43Å; L227-I420 HydrophobicContact CD2-CG2 3.71Å; L227-I420 HydrophobicContact CG-CG2 4.33Å; I231-I420 HydrophobicContact CD1-CD1 3.94Å; A302-I420 HydrophobicContact CB-CD1 4.24Å; A302-I420 HydrophobicContact CB-CG2 4.15Å; F303-I420 WeakPolarHBondContact O-CD1 3.38Å; G311-I420 PolarHBondContact O-N 2.79Å; I313-I420 HydrophobicContact CD1-CD1 3.5Å; I313-I420 HydrophobicContact CG1-CD1 3.73Å; I313-I420 HydrophobicContact CG2-CD1 4.4Å; I418-I420 HydrophobicContact CG2-CD1 4.48Å; I418-I420 HydrophobicContact CG2-CG1 4.19Å; I418-I420 PolarHBondContact O-N 3.4Å
421M87.1Confident86.4Confident69 Ų6973.7 Ų73.734%0.3439%0.393SS..EExtended strand (participates in β ladder)trans-110.5164.9-172-56.8-168.2-52.500112.8Q224 Y225 F226 L227Q224-M421 HydrophobicContact CG-CE 3.76Å; Q224-M421 HydrophobicContact CG-SD 4.38Å; Q224-M421 PolarHBondContact NE2-SD 3.42Å; Q224-M421 VanDerWaalsContact NE2-SD 3.39Å; Y225-M421 PolarHBondContact O-N 3.17Å; F226-M421 CarbonylContact C-O 3.49Å; F226-M421 WeakPolarHBondContact CA-O 3.43Å; F226-M421 HydrophobicContact CD1-CB 3.85Å; F226-M421 HydrophobicContact CD1-CE 4.28Å; F226-M421 HydrophobicContact CE1-CB 4.03Å; F226-M421 HydrophobicContact CE1-CE 3.5Å; F226-M421 HydrophobicContact CE2-CE 4.24Å; F226-M421 HydrophobicContact CZ-CE 3.47Å; F226-M421 VanDerWaalsContact CZ-CE 3.47Å; L227-M421 PolarHBondContact N-O 3.48Å
422E83.8Confident86.1Confident113 Ų11377.4 Ų77.453%0.52841%0.405SS..  trans-89134.5172.9-56.6-169.816000109.9L227 R304 K424L227-E422 HydrophobicContact CD1-CG 3.99Å; R304-E422 IonicContact CZ-OE1 3.21Å; R304-E422 IonicContact NE-OE1 2.9Å; R304-E422 PolarHBondContact NE-OE1 3.23Å; R304-E422 IonicContact NH2-OE1 2.68Å; R304-E422 PolarHBondContact NH2-OE1 3.48Å; E422-K424 PolarHBondContact O-N 2.91Å
423K78.8Confident85.6Confident105 Ų10575.2 Ų75.246%0.45739%0.392SS..  trans-68.7116.6175-64-175.8168.7110.60107.9F226 L227 D229 L425F226-K423 HydrophobicContact CB-CD 4.25Å; F226-K423 HydrophobicContact CB-CG 3.6Å; F226-K423 HydrophobicContact CD1-CG 3.84Å; F226-K423 HydrophobicContact CG-CG 3.91Å; L227-K423 PolarHBondContact O-NZ 3.21Å; D229-K423 VanDerWaalsContact OD1-CE 3.27Å; D229-K423 WeakPolarHBondContact OD1-CE 3.38Å; D229-K423 IonicContact OD1-NZ 2.7Å; D229-K423 PolarHBondContact OD1-NZ 3.24Å; K423-L425 PolarHBondContact O-N 3.13Å
424K69.8Low84.8Confident212 Ų21278.8 Ų78.892%0.92241%0.408SS*.  trans-69.1112.9171.1-70.9-173.1177.7-178.10108.6E422E422-K424 PolarHBondContact O-N 2.91Å
425L53.1Low83.9Confident247 Ų24780.3 Ų80.3100%1.29341%0.411SS*.  trans-68.40170.2-68.6162.7000111.1K423K423-L425 PolarHBondContact O-N 3.13Å

Retrieved 425 of 425 residues in 613 ms (Link to these results)