A0A093IA21_STRCA Loading...

ETS-related transcription factor Elf-2

AlphaFold DB , UniProt , Accession A0A093IA21, Species STRCA (Struthio camelus australis), Gene n/a, Length 595 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
1M38Very low40.7Very low247 Ų247131.8 Ų131.8100%1.21784%0.842SS**  0133.90-70.1165.6172.200106.8
2T39.9Very low40Very low131 Ų131127.1 Ų127.180%0.80484%0.836SS**  trans-137.7133-159.4430000113
3S41.1Very low39.7Very low121 Ų121129.8 Ų129.885%0.84684%0.837SS**  trans38.8125.2139.2-43.70000121.4
4A38.8Very low39.3Very low104 Ų104132.1 Ų132.186%0.8683%0.831SS**  trans-158.5164.7140.600000111.2
5M43.8Very low39Very low177 Ų177134.1 Ų134.187%0.87282%0.823SS**  trans-118.1-178.5175.3-70.916652.300110.4
6V45.4Very low38.8Very low127 Ų127134.6 Ų134.677%0.7782%0.819SS**  trans97.4116.8154.8-174.10000118.8
7D35.1Very low38.4Very low142 Ų142135.1 Ų135.176%0.75982%0.816SS**  -154.3161.2128.7-136.9-16.9000106.1
8T43.9Very low38.2Very low116 Ų116136.2 Ų136.271%0.71282%0.817SS**  cis72.3151.310.339.20000118.9
9G35.8Very low37.8Very low70 Ų70132.7 Ų132.772%0.72281%0.812SS**  cis177.1123.5-18.800000117.4
10G31.9Very low37.7Very low79 Ų79134.6 Ų134.681%0.81482%0.815SS**  trans71.2-172.4162.300000118.1
11P54.2Low37.6Very low136 Ų136137.7 Ų137.788%0.88382%0.818SS**  cis-142.8159.3-16.640.1-22.8000117.4
12G32.8Very low37.5Very low75 Ų75133.4 Ų133.477%0.77380%0.798SS**  trans103.8148137.400000123.8
13L35.9Very low37.1Very low163 Ų163136.1 Ų136.185%0.85380%0.802SS**  trans8387.7151.5-53.9-178.2000124
14E34Very low36.8Very low161 Ų161139.9 Ų139.975%0.75280%0.803SS**  43.7135113-73.8-174.1166.400128.1
15F35.2Very low36.6Very low162 Ų162143 Ų14371%0.71180%0.799SS**  trans76.7127.9140.5-71.8-57.4000127.4
16D35.8Very low36Very low142 Ų142141.9 Ų141.976%0.75980%0.797SS**  trans57.6154.5144-61.6-22000122.2
17N32.1Very low35.5Very low144 Ų144144.2 Ų144.277%0.7780%0.8SS**  cis-159.6-169.334.4-159-18.4000113.7
18N33.4Very low35.8Very low154 Ų154142.1 Ų142.182%0.82479%0.794SS**  trans-57.7161.5-174.4-84.1-76.7000118.3
19G31.4Very low35.4Very low71 Ų71144.8 Ų144.873%0.73280%0.802SS**  trans-103.3-177177.100000116.2
20I35.2Very low35.3Very low169 Ų169146.8 Ų146.887%0.86781%0.805SS**  trans-154.2154.4178.3-108.3161000111.3
21K36Very low35.7Very low200 Ų200151.3 Ų151.387%0.8781%0.805SS**  trans-82137.9172.2-71.2178.4176.7176.90112
22I35.9Very low34.8Very low158 Ų158154.5 Ų154.581%0.8181%0.805SS**  trans-138.2139.9146.9-64.7-173.3000109
23Q31.8Very low35.4Very low187 Ų187156.4 Ų156.487%0.87480%0.804SS**  trans-96.7140.3168-66.2170.3-28.200109.3
24K34.9Very low35.5Very low200 Ų200153.1 Ų153.187%0.8780%0.801SS**  trans-150.7124.5149.8-148.7167.7-174.6177.80114.2
25E34Very low35.7Very low169 Ų169151.9 Ų151.979%0.7980%0.804SS**  trans-45.8140.8164.7174.2-177.1-160.600114.7
26N32.1Very low36.1Very low154 Ų154151.5 Ų151.582%0.82481%0.808SS**  trans-174.2117.1141.6-103.7-79.6000110.6
27E34.6Very low36.4Very low176 Ų176150.9 Ų150.982%0.82281%0.808SS**  trans-105.2177156.3-122.9-158.9157.800107.5
28P41.3Very low37.1Very low99 Ų99151.3 Ų151.364%0.64381%0.806SS**  cis-129.4156.1-1937.1-22.6000113.2
29I34.4Very low37.6Very low171 Ų171149.8 Ų149.888%0.87780%0.804SS**  trans-135.1132.3156.6-61.4-176.5000108.8
30S33.4Very low38Very low113 Ų113152.1 Ų152.179%0.7980%0.804SS**  trans-105.3118.3-176.9155.90000110.7
31E41.7Very low38.6Very low173 Ų173149.3 Ų149.381%0.80880%0.797SS**  trans-143.6109.9167.6-167.9160.7-155.600111.9
32F34.8Very low38.4Very low203 Ų203146.2 Ų146.289%0.8980%0.8SS**  trans-137.3109.2170.4-80.4-73000109.2
33P46Very low38.4Very low115 Ų115143 Ų14375%0.74780%0.797SS**  trans-83.5118.1167.731-30.1000110.3
34A36.7Very low38.8Very low95 Ų95145.8 Ų145.879%0.78580%0.8SS**  trans-77.8131.9175.700000111.4
35V39.6Very low38.9Very low134 Ų134143.4 Ų143.481%0.81280%0.796SS**  trans-89110.5175.8-179.60000109.8V37V35-V37 HydrophobicContact CG1-CG2 4.12Å
36I42.9Very low39.2Very low155 Ų155144.1 Ų144.180%0.79580%0.799SS**  trans-91.2134.5170.5-57.7172000108.1
37V42.1Very low39.5Very low128 Ų128144.1 Ų144.178%0.77679%0.794SS**  trans-126.5111.6169-175.50000109.2V35V35-V37 HydrophobicContact CG1-CG2 4.12Å
38E46.6Very low39.8Very low154 Ų154139.3 Ų139.372%0.7279%0.792SS**  trans-90.1126.6178.5-175.1-177.4150.300110.5V40E38-V40 PolarHBondContact O-N 3.36Å
39P43.8Very low39.5Very low121 Ų121145.1 Ų145.179%0.78680%0.803SS**  trans-83.192.1-179.732-33.5000111.8P41P39-P41 WeakPolarHBondContact O-CD 3.45Å
40V40.2Very low40.1Very low121 Ų121141.6 Ų141.673%0.73380%0.799SS**  trans-79.5125.7177.2-178.80000111.7E38E38-V40 PolarHBondContact O-N 3.36Å
41P47.2Very low40Very low109 Ų109140.8 Ų140.871%0.70880%0.799SS**  trans-103.2132.7177.235.5-28.9000113.1P39P39-P41 WeakPolarHBondContact O-CD 3.45Å
42S31.6Very low39.6Very low135 Ų135141.2 Ų141.294%0.94480%0.801SS**  trans-170.7159146-94.40000116
43A37.2Very low39.3Very low91 Ų91137.8 Ų137.875%0.75280%0.796SS**  trans-73.6171.9-165.400000118.2
44R38.7Very low38.6Very low246 Ų246139.2 Ų139.293%0.92880%0.797SS**  trans62.4110.6154.9-83.4-173.5159.1-144.5-6.3118.5
45L38.9Very low38.4Very low150 Ų150140.1 Ų140.179%0.78579%0.792SS**  -146.4128.5129.1-164.462.7000110.6
46E40.1Very low38.2Very low184 Ų184144.2 Ų144.286%0.8680%0.795SS**  trans-101.1116.1160.8-83.3-170.4135.700108.1
47Q36.6Very low37.7Very low154 Ų154143 Ų14372%0.7279%0.79SS**  trans-149.8126.2150.6-100.699.535.700108.3
48G41.7Very low37.3Very low75 Ų75143.8 Ų143.877%0.77379%0.79SS**  trans-79.7149.3170.500000110.8
49Y34.4Very low36.7Very low221 Ų221143.8 Ų143.887%0.86779%0.79SS**  trans-131.9118.6165.2-113.2-89.3000109.6
50A46.9Very low36.4Very low97 Ų97143.9 Ų143.980%0.80279%0.788SS**  trans-86.6124162.500000107.6Q52A50-Q52 PolarHBondContact O-N 3.01Å
51A32.5Very low36.1Very low95 Ų95147.8 Ų147.879%0.78579%0.791SS**  trans-98.385.1178.200000109.9
52Q32.5Very low35.6Very low182 Ų182148.4 Ų148.485%0.8579%0.788SS**  trans-84.6112.3166.7-174.7171.52.200108A50A50-Q52 PolarHBondContact O-N 3.01Å
53V29.5Very low35.8Very low131 Ų131149.1 Ų149.179%0.79478%0.778SS**PPolyproline II helixtrans-84.8137.4179.8-179.60000109.5
54L31.6Very low35.5Very low146 Ų146152 Ų15276%0.76478%0.776SS**PPolyproline II helixtrans-74.3141.6179.2-78.672.2000110.7
55V32.6Very low35.2Very low113 Ų113146.4 Ų146.469%0.68577%0.765SS**PPolyproline II helixtrans-78138160.5178.20000108.6D57V55-D57 WeakPolarHBondContact CG1-OD2 2.78Å
56Y34Very low35Very low221 Ų221145.3 Ų145.387%0.86776%0.764SS**  trans-125.6116148.4-105.8-90.7000106.4
57D34Very low35Very low128 Ų128140.5 Ų140.568%0.68476%0.756SS**  trans-68149165.8-76.7-90.9000110.1V55V55-D57 WeakPolarHBondContact CG1-OD2 2.78Å
58D33.4Very low35.2Very low146 Ų146141.7 Ų141.778%0.78176%0.761SS**  -160.3121.7118-105.1-0000108.2
59E33.1Very low34.8Very low154 Ų154146.5 Ų146.572%0.7276%0.764SS**  trans45.5111158.4-47.6-53.2108.900117.9
60T36.8Very low35Very low123 Ų123141.4 Ų141.476%0.75575%0.748SS**  -175.2124.668.7-63.70000111.6
61Y35.3Very low34.3Very low202 Ų202146 Ų14679%0.79275%0.753SS**  trans36.8135.8150.6-85-146.7000121.2
62L36.3Very low34.4Very low123 Ų123147.4 Ų147.464%0.64475%0.746SS**  cis-161.8150.4-1.2-102.7171.2000109.6
63M35.3Very low34.6Very low150 Ų150145.6 Ų145.674%0.73974%0.737SS**  trans37.9114.6145-57.6-71.9-79.900119.7
64Q32.4Very low34.8Very low152 Ų152145.5 Ų145.571%0.7174%0.737SS**  67.6115.375.3-157.788.754.700111.3
65D31.4Very low35Very low127 Ų127146.3 Ų146.368%0.67974%0.737SS**  cis-146.2147.234.4-114.6-34.1000115.8
66V34.2Very low34.8Very low128 Ų128146.7 Ų146.778%0.77674%0.74SS**  trans55.197145.7-179.80000121.2
67A39.7Very low35Very low83 Ų83143.2 Ų143.269%0.68674%0.741SS**  85.2109.6125.400000122.7
68E41.4Very low35.1Very low178 Ų178145.4 Ų145.483%0.83275%0.747SS**  trans46.799.8138.1-64.5178.5118.200117.1
69E33.3Very low35Very low177 Ų177144.1 Ų144.183%0.82775%0.745SS**  cis60.4150.746.8-51.8-172.2160.200115.6
70Q37.9Very low35.3Very low114 Ų114142.4 Ų142.453%0.53374%0.744SS.*  cis-164.9146.9-47.1-143.7-176.9-14.400108.5I72 E73Q70-I72 HydrophobicContact CB-CG1 4.23Å; Q70-I72 HydrophobicContact CG-CG1 4.18Å; Q70-E73 PolarHBondContact NE2-OE2 2.88Å
71E32.7Very low35.3Very low194 Ų194145.1 Ų145.191%0.90775%0.749SS**SBendtrans-146.876.8145.5-117.7-176.3144.700105
72I35.1Very low35.6Very low124 Ų124140.5 Ų140.564%0.63675%0.753SS**  68.892.994.5-62.8162.5000108.7Q70Q70-I72 HydrophobicContact CB-CG1 4.23Å; Q70-I72 HydrophobicContact CG-CG1 4.18Å
73E36.7Very low35.6Very low143 Ų143140 Ų14067%0.66876%0.759SS**  cis98134.848.5-179.4170.3-157.300112.9Q70Q70-E73 PolarHBondContact NE2-OE2 2.88Å
74T34Very low36Very low129 Ų129139 Ų13979%0.79176%0.761SS**  trans141.6134.9157.343.80000109.8
75E34.5Very low36.1Very low164 Ų164140.5 Ų140.577%0.76677%0.768SS**  cis-160.5-176.8-11.8-152.6-164.8119.600109.1
76T29.3Very low36.4Very low121 Ų121138 Ų13874%0.74277%0.773SS**  trans75.5101.4166.768.10000118.5
77V37.9Very low36.7Very low147 Ų147137.2 Ų137.289%0.89177%0.772SS**  trans-135114153.3172.80000108.3
78E36.7Very low36.4Very low174 Ų174138.8 Ų138.881%0.81377%0.769SS**  trans-162.8115133.8-142.6-175.9176.300111.9
79T32.2Very low36.5Very low119 Ų119136.3 Ų136.373%0.7377%0.766SS**  168.7135.3115.634.50000113.2
80V37.6Very low37Very low118 Ų118135.4 Ų135.472%0.71576%0.761SS**  trans66.5101.9145.3-179.80000120.2
81E37.6Very low37.2Very low180 Ų180135 Ų13584%0.84177%0.77SS**  trans63.3101.7131.7-57.6-178.5163.600122.6
82A42.6Very low38.2Very low106 Ų106131.8 Ų131.888%0.87676%0.764SS**  trans45.8116.513100000122.2
83S35.1Very low39.3Very low111 Ų111130.8 Ų130.878%0.77676%0.76SS**  trans-152.9146.2140.7-167.90000112.6
84V43.5Very low40.6Very low130 Ų130132.2 Ų132.279%0.78876%0.764SS**  trans-93.9131.2-175.8172.70000111.1
85H35.6Very low42.1Very low183 Ų183131.9 Ų131.985%0.84776%0.762SS**  trans-133.3122.5158.7-81.283.8000110.5
86G37.3Very low43.4Very low76 Ų76128.5 Ų128.578%0.78475%0.748SS**  trans-81.6143.1-178.600000112.9
87S39.3Very low45.5Very low110 Ų110129.2 Ų129.277%0.76974%0.743SS**  trans-68.5141.4174179.90000111.9
88N34.4Very low47Very low117 Ų117124.8 Ų124.863%0.62672%0.722SS**  trans-12697.8155.8-179.112.2000109.7H90N88-H90 PolarHBondContact ND2-NE2 2.86Å; N88-H90 PolarHBondContact OD1-NE2 3.22Å
89V44.3Very low48.5Very low126 Ų126118.8 Ų118.876%0.76470%0.702SS**  trans-117.8106.71641770000106.6C91V89-C91 PolarHBondContact O-N 2.71Å
90H43.1Very low50Low157 Ų157118.8 Ų118.873%0.72769%0.694SS**  trans-62.9104.7-174.5-73.1-76.7000112.2N88N88-H90 PolarHBondContact ND2-NE2 2.86Å; N88-H90 PolarHBondContact OD1-NE2 3.22Å
91C41.5Very low51.5Low105 Ų105116.3 Ų116.371%0.70969%0.685SS**  trans-80.4140.7159.4-163.30000108.6V89 D93V89-C91 PolarHBondContact O-N 2.71Å; C91-D93 PolarHBondContact O-N 3.37Å
92T53.2Low53Low128 Ų128114.4 Ų114.479%0.78568%0.681SS**  trans-83.3114.9-172.851.50000112.6K94T92-K94 PolarHBondContact O-N 3.46Å
93D59.9Low54.2Low103 Ų103116.5 Ų116.555%0.55168%0.676SS**SBendtrans-61.8100.1-178.3-62.4-70.2000114C91C91-D93 PolarHBondContact O-N 3.37Å
94K62.6Low55.5Low173 Ų173119 Ų11975%0.75268%0.675SS**SBendtrans-141.6-20.5157-65-162.9176.6-168.40113.5T92T92-K94 PolarHBondContact O-N 3.46Å
95T65.8Low56.3Low121 Ų121120.1 Ų120.174%0.74267%0.674SS**Hα-helixtrans-87.7-28.7174.9-45.60000112.3A99T95-A99 PolarHBondContact O-N 2.93Å
96I62.2Low57.2Low94 Ų94119.9 Ų119.948%0.48267%0.673SS.*Hα-helixtrans-77.8-50.8-177.9-68.2175.3000111A98 A99 E100I96-A98 PolarHBondContact O-N 3.11Å; I96-A99 WeakPolarHBondContact O-CA 3.3Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.31Å; I96-E100 PolarHBondContact O-N 2.82Å
97E72.4Confident57.4Low136 Ų136120.6 Ų120.664%0.63667%0.666SS**Hα-helixtrans-52.4-41.3173.7-177-177.3-149.500112.1A99 A101E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 3.06Å; E97-A101 WeakPolarHBondContact O-CB 3.39Å; E97-A101 PolarHBondContact O-N 3.43Å
98A69.3Low57.8Low54 Ų54121.8 Ų121.845%0.44667%0.671SS.*Hα-helixtrans-69.5-25.517600000113.9I96 L102I96-A98 PolarHBondContact O-N 3.11Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å
99A69.2Low57.9Low48 Ų48122 Ų12240%0.39768%0.677SS.*Hα-helixtrans-79.8-42.4174.500000111.5T95 I96 E97 A101 L102 L103T95-A99 PolarHBondContact O-N 2.93Å; I96-A99 WeakPolarHBondContact O-CA 3.3Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.31Å; E97-A99 VanDerWaalsContact C-N 3.33Å; E97-A99 PolarHBondContact O-N 3.06Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3Å; A99-L102 PolarHBondContact O-N 3.49Å; A99-L103 WeakPolarHBondContact O-CG 3.27Å; A99-L103 PolarHBondContact O-N 3.05Å
100E64.6Low57.5Low118 Ų118121.6 Ų121.655%0.55168%0.678SS**Hα-helixtrans-61.8-41.2174.7-67.3-173.5128.200111.5I96 L102 L103 H104I96-E100 PolarHBondContact O-N 2.82Å; E100-L102 PolarHBondContact O-N 2.74Å; E100-L103 PolarHBondContact O-N 2.91Å; E100-H104 PolarHBondContact O-CD2 3.19Å; E100-H104 PolarHBondContact O-N 3.23Å
101A69Low57.4Low66 Ų66121.8 Ų121.855%0.54568%0.684SS.*Hα-helixtrans-59.7-28.4175.500000113.9E97 A99E97-A101 WeakPolarHBondContact O-CB 3.39Å; E97-A101 PolarHBondContact O-N 3.43Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3Å
102L69.1Low57.7Low141 Ų141128.2 Ų128.274%0.73869%0.693SS**Hα-helixtrans-83.5-21.8176.2-71.5171.1000113.2A98 A99 E100A98-L102 WeakPolarHBondContact O-CG 3.35Å; A99-L102 PolarHBondContact O-N 3.49Å; E100-L102 PolarHBondContact O-N 2.74Å
103L66.6Low56.7Low149 Ų149128.6 Ų128.678%0.7869%0.69SS**Hα-helixtrans-86.1-16.6179.7-67.8170.7000113.4A99 E100A99-L103 WeakPolarHBondContact O-CG 3.27Å; A99-L103 PolarHBondContact O-N 3.05Å; E100-L103 PolarHBondContact O-N 2.91Å
104H62.3Low55.6Low163 Ų163128.2 Ų128.276%0.75570%0.702SS**  trans-96.411.7-179.7-80.8-67.7000115.4E100 E106E100-H104 PolarHBondContact O-CD2 3.19Å; E100-H104 PolarHBondContact O-N 3.23Å; H104-E106 PolarHBondContact O-N 3.42Å
105M59.8Low54.5Low154 Ų154131 Ų13176%0.75971%0.708SS**  trans-83.985.1173.6-83.3-98.655.700111.8
106E55.7Low52.9Low178 Ų178130.8 Ų130.883%0.83271%0.711SS**  trans-75.8140.3175.7-167.4174.4165.500112.6H104H104-E106 PolarHBondContact O-N 3.42Å
107S41.6Very low52.3Low91 Ų91131.9 Ų131.964%0.63672%0.724SS**  trans-73.3132.6-175.7-650000113T109S107-T109 PolarHBondContact O-N 2.83Å
108P47.9Very low50.4Low136 Ų136132.4 Ų132.488%0.88374%0.736SS**  trans-80.676.5-176.433-36.6000112.7
109T36.1Very low48.8Very low121 Ų121138.5 Ų138.574%0.74276%0.755SS**  trans-126101.917649.90000113.8S107S107-T109 PolarHBondContact O-N 2.83Å
110C35.9Very low47.1Very low117 Ų117142.7 Ų142.779%0.79178%0.776SS**  trans50110148.2-160.90000119.3
111L40.9Very low45.6Very low162 Ų162145.7 Ų145.785%0.84879%0.788SS**  -160.2143.7106.6-108.9167.1000113.3
112R46.8Very low44.4Very low239 Ų239149.5 Ų149.590%0.90280%0.804SS**  trans-121.2109.5167.3-87.1-83-176.6157.9-0.8107.4
113D33.4Very low43Very low136 Ų136146.9 Ų146.973%0.72780%0.795SS**  trans-154.5141.3144.9-165.8-147000111.8
114A36.1Very low42.1Very low96 Ų96145 Ų14579%0.79379%0.791SS**  trans-174.2101.1165.900000108.1
115R39Very low40.7Very low231 Ų231142.7 Ų142.787%0.87279%0.793SS**  trans-73.3139.6-174.8-67.2175.3173.9162-4113.9
116S34Very low39.4Very low117 Ų117141.1 Ų141.182%0.81879%0.792SS**  trans-157.2146.9130-1510000109.7
117P47.8Very low38.3Very low116 Ų116138 Ų13875%0.75379%0.79SS**  trans-103.1142.6-15937.1-33.3000115.8
118V33.4Very low37.9Very low147 Ų147139.7 Ų139.789%0.89180%0.796SS**  trans-139.4151.1146.3176.30000107
119E35.3Very low37.9Very low182 Ų182138.4 Ų138.485%0.8579%0.787SS**  trans-77.2-174.3-172.2-61177.792.200115
120V34Very low37.9Very low136 Ų136140 Ų14082%0.82479%0.787SS**  trans102.782.5159.4-167.10000117.1
121F32.2Very low37.8Very low182 Ų182143.2 Ų143.280%0.79879%0.787SS**  74.897.6121.7-139.1-89000120.9P123F121-P123 HydrophobicContact CE1-CG 4.11Å
122V44Very low37.7Very low146 Ų146141 Ų14189%0.88578%0.775SS**  trans-143.6122.2151.4-1770000111.2
123P40.9Very low37.3Very low86 Ų86137.8 Ų137.856%0.55877%0.77SS**  trans-127.5171.616442.4-30.7000112.5F121F121-P123 HydrophobicContact CE1-CG 4.11Å
124P47.9Very low37.4Very low108 Ų108136 Ų13670%0.70178%0.775SS**  -139.4172.4-62.737.3-19.3000115
125C31.3Very low37.6Very low116 Ų116136 Ų13678%0.78478%0.775SS**  trans58.7171.5158.458.20000118
126V33Very low37.5Very low121 Ų121134 Ų13473%0.73378%0.777SS**  cis-149.4139.631175.40000114.3
127S33.7Very low37.8Very low113 Ų113139.6 Ų139.679%0.7978%0.781SS**  trans47.2146.6152.5-55.80000127
128T33.2Very low38Very low125 Ų125139.4 Ų139.477%0.76778%0.779SS**  trans-76.8-171.7164.350.80000111.8
129P47.1Very low37.9Very low109 Ų109139.9 Ų139.971%0.70878%0.777SS**  cis-141.9-169.31642.2-19.2000118.5
130E35.2Very low38.1Very low155 Ų155136.7 Ų136.772%0.72477%0.77SS**  trans-65176.2-176.3-50.595.3103.400115.9
131F34.3Very low38.5Very low184 Ų184137.8 Ų137.881%0.80777%0.769SS**  -160.6120.3117.4-124.2-122.5000114.9
132I39.8Very low38.8Very low116 Ų116134.5 Ų134.560%0.59576%0.764SS**  trans67.4132.1138.9-70.8-166.7000123.5
133H38.4Very low38.5Very low172 Ų172136.8 Ų136.880%0.79677%0.765SS**  trans-7154.6149.9-43.8-91.1000119
134A34.9Very low38.8Very low99 Ų99139.4 Ų139.482%0.81878%0.78SS**  cis-164-175.142.200000114.1
135A40.6Very low38.1Very low96 Ų96140 Ų14079%0.79378%0.781SS**  trans-90.6157.8177.500000113.5
136M35.7Very low38.1Very low189 Ų189141.1 Ų141.193%0.93178%0.784SS**  trans-161.1174.9146.1-88.9-128.174.900111.2
137R41.4Very low38.2Very low234 Ų234143.1 Ų143.188%0.88379%0.785SS**  trans-92.3167.9-171.9-102-174179.5133.70.1113.2
138P51.8Low38.1Very low112 Ų112144.3 Ų144.373%0.72779%0.787SS**  trans-85.6149.2-170.934.7-36.2000114
139D31.7Very low38.2Very low157 Ų157143.2 Ų143.284%0.8479%0.785SS**  trans-170.8158.5130.5-113.7-30000112.2
140V38.2Very low37.5Very low115 Ų115143.7 Ų143.770%0.69779%0.786SS**  trans50.4117.1160.6-179.10000120.7T142V140-T142 HydrophobicContact CG1-CG2 4.32Å
141I42.5Very low37.5Very low158 Ų158144.6 Ų144.681%0.8179%0.79SS**  trans-158.3115.6131.235.4171.8000107.1
142T38.5Very low37.3Very low114 Ų114144.8 Ų144.870%0.69979%0.794SS**  67.5133.678.263.80000115.4V140V140-T142 HydrophobicContact CG1-CG2 4.32Å
143E39.2Very low36.8Very low194 Ų194144.8 Ų144.891%0.90780%0.804SS**  trans-66.9149.8-175.9-58.9168.2127.700112.7
144T45.5Very low36.7Very low140 Ų140145.4 Ų145.486%0.85981%0.807SS**  trans-124.8131.1162.744.70000110.3
145V33.6Very low37.1Very low122 Ų122145.5 Ų145.574%0.73980%0.8SS**  trans-86.9148.1179.7175.10000109.6E147V145-E147 HydrophobicContact CG1-CG 3.98Å
146V32.3Very low36.8Very low138 Ų138149.1 Ų149.184%0.83680%0.802SS**  trans-125.4119159.4-179.20000107.9
147E35.4Very low36.6Very low164 Ų164147.4 Ų147.477%0.76680%0.797SS**  trans-87.6151.2179-57179.3119.500111.1V145V145-E147 HydrophobicContact CG1-CG 3.98Å
148V30.4Very low36.1Very low137 Ų137140.5 Ų140.583%0.8379%0.79SS**  trans-141.9123.1160.3-177.70000108.1
149S36.6Very low35.2Very low103 Ų103140.4 Ų140.472%0.7279%0.792SS**  trans-136.5125.3-175.5-66.60000111.3
150T31.1Very low35.9Very low118 Ų118138.1 Ų138.172%0.72479%0.785SS**  trans-173.1145.5163.242.20000109
151E34.8Very low35.5Very low174 Ų174138.4 Ų138.481%0.81379%0.787SS**  cis-165.2164.2-2357.8-157.3138.900110.6
152E29.9Very low35.8Very low188 Ų188136.1 Ų136.188%0.87978%0.783SS**  trans4.3133.3161.5-171.1169.1105.800123.3
153S30.8Very low35.2Very low117 Ų117137 Ų13782%0.81879%0.788SS**  -172.4126125.362.90000113.9
154E35.5Very low34.8Very low184 Ų184132.7 Ų132.786%0.8678%0.779SS**  trans-99.4-173.9169.2-89.9-156.3153.600110.6
155P44.3Very low34.7Very low102 Ų102131.3 Ų131.366%0.66277%0.773SS**  cis-148.9-172.319.345.9-24.8000119.6
156M34Very low34.4Very low172 Ų172132.1 Ų132.185%0.84777%0.773SS**  trans71.6147.6149.594.9-168.7-172.500119.8
157D31.9Very low34.4Very low153 Ų153131.5 Ų131.582%0.81876%0.764SS**  cis-157.5-179.4-3-146.3-58.8000111.3
158A30.4Very low34.2Very low89 Ų89131.3 Ų131.374%0.73676%0.762SS**  trans83.810615600000121.5
159S32.4Very low34.3Very low109 Ų109132.5 Ų132.576%0.76276%0.759SS**  trans-92.8-179.1153.2-137.20000109.3
160P45.9Very low34.7Very low109 Ų109131.9 Ų131.971%0.70875%0.752SS**  cis-146.2159.316.444.1-23.3000120.1
161V31.1Very low34.6Very low122 Ų122133 Ų13374%0.73975%0.751SS**  35.5141.6122.5-170.70000120.4
162P49Very low34.8Very low110 Ų110133 Ų13371%0.71475%0.749SS**  cis-140.9-148-30.543.5-23000113.2
163T25.8Very low35.3Very low132 Ų132134.4 Ų134.481%0.8175%0.752SS**  trans118.8150.2149.4-40.50000116.8
164S29.9Very low35.7Very low103 Ų103138.2 Ų138.272%0.7275%0.754SS**  trans-133.9-170.3179.569.20000109.8
165P44.3Very low35.8Very low112 Ų112138.8 Ų138.873%0.72775%0.753SS**  cis-130.4-176.1-17.941.1-24.6000113.9
166D27.5Very low35.2Very low139 Ų139138.7 Ų138.774%0.74376%0.761SS**  trans58.4137.1145.1-104.1-2.6000126.4
167I32.3Very low35.5Very low124 Ų124133.8 Ų133.864%0.63675%0.754SS**  trans76.4112.3138.1-73168.3000123.3
168H30.1Very low35.9Very low160 Ų160138.4 Ų138.474%0.74176%0.761SS**  trans58.2155.4140-69.6-129.8000120.1
169E33.6Very low36.2Very low162 Ų162143.8 Ų143.876%0.75777%0.767SS**  cis-161.7-159-7.4-122.4-160125.200107.5
170P43.7Very low37.7Very low90 Ų90144.3 Ų144.358%0.58477%0.768SS**  -133.7-168.3-52.840.6-24000115.7
171M29.4Very low37Very low143 Ų143148.4 Ų148.470%0.70478%0.775SS**  trans84.499.8149.7-70.3174.995.100124
172K39.6Very low37.1Very low173 Ų173147.8 Ų147.875%0.75277%0.771SS**  67.4123.9125.4-60.9176.9-174.1176.80122
173K40.1Very low36.6Very low218 Ų218150.9 Ų150.995%0.94878%0.776SS**  trans-155.8173.4133.1-106.1146.7-170.5172.20112.8
174K38.8Very low37Very low197 Ų197153.6 Ų153.686%0.85778%0.78SS**  trans-101.2140.5-145.1-99.4176.8178171.30117.5
175K38.3Very low37.3Very low195 Ų195153.8 Ų153.885%0.84878%0.781SS**  82.2142122.9-173.3-179.9175.5-174.30122
176A31.5Very low36.8Very low100 Ų100152.6 Ų152.683%0.82678%0.78SS**  trans84.7152.1158.800000120.1
177G39.6Very low37.5Very low69 Ų69154 Ų15471%0.71179%0.786SS**  trans-178.8178.3177.200000110.2
178R41.3Very low37.3Very low251 Ų251154 Ų15495%0.94780%0.797SS**  trans-163.9164.3172-106.3162.9-172-166.90.6111.6
179K37.2Very low37.8Very low202 Ų202154.1 Ų154.188%0.87880%0.803SS**  trans-128.6-158.6174.4-70.4-168.5176.8-173.80109.1
180P62.4Low37.7Very low119 Ų119149.7 Ų149.777%0.77380%0.801SS**  -124.1-179.4-77.638.1-22.8000114.6
181K30.9Very low37.1Very low195 Ų195151.1 Ų151.185%0.84881%0.813SS**  trans-166.2155.6-179.5-142.662.9-169.5174.30109.2
182T33.1Very low38.7Very low109 Ų109150.1 Ų150.167%0.66982%0.817SS**  cis-162167.3-32.2-87.40000108.3
183Q40.2Very low38.4Very low176 Ų176149.1 Ų149.182%0.82282%0.82SS**  trans-81.1160.3178.2-57.1164.2-48.900114.4
184Q33.7Very low38.5Very low189 Ų189145.9 Ų145.988%0.88381%0.812SS**  trans178-177.5141.8-101.9166.625.300111.6
185S35.2Very low38.8Very low107 Ų107140.1 Ų140.175%0.74881%0.809SS**  -161.7155.3-90.3-79.90000113.1
186A34.5Very low39.1Very low86 Ų86138.5 Ų138.571%0.71181%0.808SS**  trans66.6123.5150.200000124.2
187I42.8Very low40.1Very low169 Ų169143.8 Ų143.887%0.86781%0.812SS**  50.5126.1125.4-51.2165000121.4
188S28.5Very low40Very low123 Ų123149.8 Ų149.886%0.8682%0.819SS**  trans-163.1166.7134.3-158.50000112.5
189D38.8Very low40.3Very low164 Ų164146.4 Ų146.488%0.87781%0.811SS**  trans-111.1171.8-166.5-126.6-57.6000114.2
190G32.5Very low40.6Very low68 Ų68142 Ų14270%0.70180%0.803SS**  trans166.889.2168.700000122
191S31.1Very low39.7Very low121 Ų121147.3 Ų147.385%0.84681%0.808SS**  trans72.7141.5149-151.60000121.7
192P62.1Low40.8Very low121 Ų121146.3 Ų146.379%0.78681%0.806SS**  trans-107.8163.1173.940.5-33.4000114.3
193D33.8Very low41.5Very low152 Ų152144.4 Ų144.481%0.81381%0.808SS**  trans-155.7-178155.8-160.750000113.9
194L41.8Very low41.9Very low150 Ų150144.1 Ų144.179%0.78580%0.804SS**  trans-75.7149.4-143.7-74.1159.6000119.3
195G45.6Very low43.1Very low77 Ų77137.2 Ų137.279%0.79478%0.783SS**  trans-71.9148-178.700000117
196I45.5Very low44.3Very low161 Ų161137.9 Ų137.983%0.82678%0.778SS**  trans-120.1138165.9-59.6177.7000108.3K198I196-K198 PolarHBondContact O-N 3.09Å
197K50.5Low46.3Very low210 Ų210138.5 Ų138.591%0.91377%0.774SS**  trans-59.8106-166.2-70.1-172.2175.5-178.60113.8K199K197-K199 PolarHBondContact O-N 2.84Å
198K39.2Very low48.5Very low195 Ų195131.3 Ų131.385%0.84874%0.737SS**  trans-72.390.1164.1-64.6-83.2-176.5172.80109.9I196 P200I196-K198 PolarHBondContact O-N 3.09Å; K198-P200 WeakPolarHBondContact O-CD 3.36Å
199K47.9Very low51.6Low181 Ų181131.3 Ų131.379%0.78772%0.719SS**  trans-53.3127.2139.3-92-79.8-171.2174.50106.1K197 R201K197-K199 PolarHBondContact O-N 2.84Å; K199-R201 PolarHBondContact O-N 3.03Å
200P42.1Very low54.3Low108 Ų108123.6 Ų123.670%0.70168%0.678SS**  trans-71.364177.6-20.835.2000112.4K198 E202K198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-E202 PolarHBondContact O-N 3.33Å
201R43.8Very low57.3Low232 Ų232123.3 Ų123.388%0.87566%0.656SS**  trans-44.5118179.7-177.5178.6-175.4167.42.3108.8K199 G203K199-R201 PolarHBondContact O-N 3.03Å; R201-G203 PolarHBondContact O-N 3Å
202E54.9Low60.2Low173 Ų173120.3 Ų120.381%0.80863%0.628SS**SBendtrans-72.374.6-154.8-69.575-174.100111.4P200P200-E202 PolarHBondContact O-N 3.33Å
203G47.8Very low61.8Low69 Ų69115.1 Ų115.171%0.71159%0.594SS**  trans-115.910.9-171.400000114.2R201 G205R201-G203 PolarHBondContact O-N 3Å; G203-G205 PolarHBondContact O-N 3.08Å
204K47.9Very low64.6Low171 Ų171107.9 Ų107.974%0.74356%0.555SS**  trans-76.413.7169.6-15279.6175.5-171.30112.2N206K204-N206 PolarHBondContact O-N 3.42Å
205G58.8Low67Low43 Ų43101 Ų10144%0.44352%0.519SS..THydrogen-bonded Turntrans-82.469.5-167.200000114.8G203G203-G205 PolarHBondContact O-N 3.08Å
206N59.5Low69.2Low121 Ų121100.8 Ų100.865%0.64750%0.499SS*.THydrogen-bonded Turntrans-146.5-47162.15213.8000113.4K204 K254K204-N206 PolarHBondContact O-N 3.42Å; N206-K254 PolarHBondContact O-NZ 3.25Å; N206-K254 VanDerWaalsContact O-NZ 3.11Å
207T76.9Confident71.4Confident100 Ų10093.2 Ų93.261%0.61346%0.461SS*.THydrogen-bonded Turntrans-87.4-17.2-172.956.40000116.1Y209T207-Y209 PolarHBondContact O-N 2.97Å
208T89.8Confident73.3Confident17 Ų1783.6 Ų83.610%0.10442%0.419CS..  trans-54.6131.9-178.3-38.10000111.7E212 F213 W250 H253 K254T208-E212 WeakPolarHBondContact CA-OE2 3.36Å; T208-E212 HydrophobicContact CG2-CB 3.99Å; T208-F213 HydrophobicContact CG2-CB 4.4Å; T208-W250 WeakPolarHBondContact O-CH2 3.45Å; T208-H253 WeakPolarHBondContact CB-NE2 3.34Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.14Å; T208-H253 PolarHBondContact OG1-NE2 3.46Å; T208-K254 PolarHBondContact O-NZ 2.98Å
209Y94.1Very high75.6Confident123 Ų12376 Ų7648%0.48239%0.387SS..  trans-85.7157.4171.7-64.3-67.6000111.2T207 W211 E212 F213 W250T207-Y209 PolarHBondContact O-N 2.97Å; Y209-W211 VanDerWaalsContact C-N 3.3Å; Y209-W211 AromaticContact CD2-NE1 3.84Å; Y209-W211 AromaticContact CG-NE1 3.83Å; Y209-W211 PolarHBondContact O-N 3.19Å; Y209-E212 PolarHBondContact N-OE2 3.07Å; Y209-E212 PolarHBondContact O-N 3.48Å; Y209-F213 PolarHBondContact O-N 3.15Å; Y209-F213 VanDerWaalsContact O-N 3.17Å; Y209-W250 VanDerWaalsContact C-CH2 3.42Å
210L94.9Very high77.3Confident2 Ų271.4 Ų71.41%0.0137%0.371CS..Hα-helixtrans-64.6-36-179.3169.968.1000111.6E212 F213 L214 W250 M264 A267 L268 Y271L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.89Å; L210-F213 HydrophobicContact CD1-CD1 4.15Å; L210-F213 PolarHBondContact O-N 3.33Å; L210-L214 HydrophobicContact CD1-CD1 3.91Å; L210-L214 HydrophobicContact CD1-CD2 4.36Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.77Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.96Å; L210-W250 VanDerWaalsContact CA-CH2 3.45Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.78Å; L210-W250 HydrophobicContact CD1-CE3 4.33Å; L210-W250 HydrophobicContact CD1-CG 3.88Å; L210-W250 HydrophobicContact CD1-CZ2 4.28Å; L210-W250 VanDerWaalsContact N-CH2 3.33Å; L210-M264 HydrophobicContact CD1-CG 3.73Å; L210-M264 HydrophobicContact CD1-SD 3.74Å; L210-M264 HydrophobicContact CD2-CG 3.45Å; L210-M264 VanDerWaalsContact CD2-CG 3.45Å; L210-M264 HydrophobicContact CD2-SD 4.42Å; L210-M264 HydrophobicContact CG-CG 4.25Å; L210-A267 HydrophobicContact CB-CB 4.48Å; L210-A267 HydrophobicContact CD2-CB 3.7Å; L210-L268 HydrophobicContact CD2-CD2 3.89Å; L210-L268 HydrophobicContact CD2-CG 3.94Å; L210-Y271 HydrophobicContact CB-CE2 3.91Å; L210-Y271 HydrophobicContact CD2-CE2 4.24Å; L210-Y271 HydrophobicContact CG-CE2 4.28Å; L210-Y271 PolarHBondContact N-OH 3.37Å; L210-Y271 VanDerWaalsContact N-OH 3.17Å
211W94.4Very high78.5Confident62 Ų6272.2 Ų72.224%0.23536%0.363CS..Hα-helixtrans-66.5-33.6179.673-93.6000112.6Y209 L215 Y271 I276 F289 P293Y209-W211 VanDerWaalsContact C-N 3.3Å; Y209-W211 AromaticContact CD2-NE1 3.84Å; Y209-W211 AromaticContact CG-NE1 3.83Å; Y209-W211 PolarHBondContact O-N 3.19Å; W211-L215 PolarHBondContact O-N 3.25Å; W211-L215 VanDerWaalsContact O-N 3.16Å; W211-Y271 HydrophobicContact CB-CD2 4.25Å; W211-Y271 HydrophobicContact CB-CE2 3.92Å; W211-Y271 AromaticContact CD1-CE1 3.8Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; W211-I276 HydrophobicContact CB-CG2 4.14Å; W211-I276 HydrophobicContact CD2-CG2 4.19Å; W211-I276 HydrophobicContact CG-CG2 3.94Å; W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; W211-P293 HydrophobicContact CZ3-CG 4.37Å
212E93.3Very high79.5Confident58 Ų5868.8 Ų68.827%0.27136%0.363SS..Hα-helixtrans-66.8-52.9173.8-61.4167.7158.200109.7T208 Y209 L210 L214 L215 D216T208-E212 WeakPolarHBondContact CA-OE2 3.36Å; T208-E212 HydrophobicContact CG2-CB 3.99Å; Y209-E212 PolarHBondContact N-OE2 3.07Å; Y209-E212 PolarHBondContact O-N 3.48Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 2.89Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; E212-L215 CarbonylContact O-C 3.6Å; E212-L215 WeakPolarHBondContact O-CA 3.41Å; E212-L215 WeakPolarHBondContact O-CB 3.04Å; E212-L215 PolarHBondContact O-N 3.38Å; E212-D216 PolarHBondContact O-N 3.03Å
213F94.1Very high79.8Confident13 Ų1362.1 Ų62.16%0.05733%0.333CS..Hα-helixtrans-57.7-36.1177.4166.2-91.5000113.3T208 Y209 L210 L217 V246 L249 W250 H253T208-F213 HydrophobicContact CG2-CB 4.4Å; Y209-F213 PolarHBondContact O-N 3.15Å; Y209-F213 VanDerWaalsContact O-N 3.17Å; L210-F213 HydrophobicContact CD1-CD1 4.15Å; L210-F213 PolarHBondContact O-N 3.33Å; F213-L217 HydrophobicContact CE1-CD2 4.14Å; F213-L217 HydrophobicContact CZ-CD2 4.21Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 3.48Å; F213-V246 HydrophobicContact CE1-CG1 4.46Å; F213-L249 HydrophobicContact CE2-CG 4.27Å; F213-L249 HydrophobicContact CZ-CB 4.06Å; F213-L249 HydrophobicContact CZ-CD2 4.13Å; F213-L249 HydrophobicContact CZ-CG 3.85Å; F213-W250 HydrophobicContact CB-CE3 3.68Å; F213-W250 HydrophobicContact CB-CH2 4.42Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.15Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.54Å; F213-W250 HydrophobicContact CD1-CE3 3.54Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.21Å; F213-W250 AromaticContact CD2-CE3 3.89Å; F213-W250 HydrophobicContact CD2-CE3 3.89Å; F213-W250 HydrophobicContact CD2-CZ3 4.3Å; F213-W250 HydrophobicContact CE1-CB 3.67Å; F213-W250 HydrophobicContact CE1-CE3 4.15Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.44Å; F213-W250 HydrophobicContact CG-CD2 4.43Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.07Å; F213-H253 HydrophobicContact CD2-CB 4.11Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å
214L94.3Very high80.6Confident0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-70.2-32.9175.3-70.4169.7000112.3L210 E212 L218 I228 L240 V246 L268L210-L214 HydrophobicContact CD1-CD1 3.91Å; L210-L214 HydrophobicContact CD1-CD2 4.36Å; L210-L214 HydrophobicContact CD1-CG 3.88Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.77Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 WeakPolarHBondContact O-CG 3.42Å; L210-L214 PolarHBondContact O-N 2.96Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.4Å; L214-L218 WeakPolarHBondContact O-CD1 3.49Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.45Å; L214-L218 PolarHBondContact O-N 2.97Å; L214-L218 VanDerWaalsContact O-N 3.11Å; L214-I228 HydrophobicContact CB-CD1 4.45Å; L214-I228 HydrophobicContact CD2-CD1 3.71Å; L214-L240 HydrophobicContact CD2-CD1 4.45Å; L214-V246 HydrophobicContact CD2-CG1 3.58Å; L214-L268 HydrophobicContact CD1-CD2 3.72Å
215L92.1Very high82.1Confident4 Ų456.4 Ų56.42%0.02130%0.302CS..Hα-helixtrans-70.9-41.1173.4-173.778.8000111.5W211 E212 L218 Q219 W230 F289 P293W211-L215 PolarHBondContact O-N 3.25Å; W211-L215 VanDerWaalsContact O-N 3.16Å; E212-L215 CarbonylContact O-C 3.6Å; E212-L215 WeakPolarHBondContact O-CA 3.41Å; E212-L215 WeakPolarHBondContact O-CB 3.04Å; E212-L215 PolarHBondContact O-N 3.38Å; L215-L218 CarbonylContact O-C 3.46Å; L215-L218 PolarHBondContact O-N 3.13Å; L215-Q219 WeakPolarHBondContact O-CG 3.27Å; L215-Q219 PolarHBondContact O-N 2.85Å; L215-Q219 PolarHBondContact O-NE2 3.41Å; L215-W230 HydrophobicContact CD1-CH2 4.14Å; L215-W230 HydrophobicContact CD1-CZ2 4.21Å; L215-F289 HydrophobicContact CB-CZ 4.2Å; L215-F289 HydrophobicContact CD1-CE2 4.15Å; L215-F289 HydrophobicContact CD1-CZ 4.21Å; L215-P293 HydrophobicContact CD1-CB 4.44Å; L215-P293 HydrophobicContact CD1-CG 4.05Å; L215-P293 HydrophobicContact CD2-CB 3.68Å; L215-P293 HydrophobicContact CD2-CG 3.82Å
216D91.2Very high83.4Confident73 Ų7362.9 Ų62.939%0.3931%0.313SS..Hα-helixtrans-61.3-48.2174.5-63.6-25.3000110.2E212 L218 Q219 D220E212-D216 PolarHBondContact O-N 3.03Å; D216-L218 PolarHBondContact O-N 3.42Å; D216-Q219 WeakPolarHBondContact O-CA 3.39Å; D216-Q219 WeakPolarHBondContact O-CB 3.32Å; D216-Q219 PolarHBondContact O-N 3.31Å; D216-D220 PolarHBondContact O-N 2.95Å; D216-D220 VanDerWaalsContact O-N 3.15Å
217L91.7Very high84.9Confident3 Ų360.2 Ų60.22%0.01629%0.294CS..Hα-helixtrans-63-24176.5-168.263.3000113.6F213 Q219 T223 C224 I228 V246 L249F213-L217 HydrophobicContact CE1-CD2 4.14Å; F213-L217 HydrophobicContact CZ-CD2 4.21Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.49Å; F213-L217 PolarHBondContact O-N 3.48Å; L217-Q219 VanDerWaalsContact C-N 3.35Å; L217-T223 HydrophobicContact CD1-CG2 3.52Å; L217-C224 PolarHBondContact O-SG 3.23Å; L217-I228 HydrophobicContact CB-CG2 4.3Å; L217-I228 HydrophobicContact CD2-CG2 4.01Å; L217-I228 HydrophobicContact CG-CG2 3.73Å; L217-V246 HydrophobicContact CD2-CG1 4.1Å; L217-V246 HydrophobicContact CD2-CG2 4.06Å; L217-L249 HydrophobicContact CD1-CD2 3.4Å; L217-L249 HydrophobicContact CD2-CD2 4.16Å; L217-L249 HydrophobicContact CG-CD2 4.44Å
218L90.4Very high85.8Confident7 Ų755.4 Ų55.44%0.03727%0.265CS..THydrogen-bonded Turntrans-85.4-3173.6-85.8166000114.1L214 L215 D216 I228 K229 W230 F238 F289L214-L218 VanDerWaalsContact O-CB 3.29Å; L214-L218 WeakPolarHBondContact O-CB 3.4Å; L214-L218 WeakPolarHBondContact O-CD1 3.49Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.45Å; L214-L218 PolarHBondContact O-N 2.97Å; L214-L218 VanDerWaalsContact O-N 3.11Å; L215-L218 CarbonylContact O-C 3.46Å; L215-L218 PolarHBondContact O-N 3.13Å; D216-L218 PolarHBondContact O-N 3.42Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.37Å; L218-I228 HydrophobicContact CD2-CB 4.44Å; L218-I228 HydrophobicContact CD2-CD1 4.39Å; L218-I228 HydrophobicContact CD2-CG1 3.93Å; L218-I228 HydrophobicContact CD2-CG2 3.92Å; L218-I228 HydrophobicContact CG-CD1 3.92Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.92Å; L218-K229 VanDerWaalsContact CD2-C 3.43Å; L218-W230 HydrophobicContact CB-CZ2 3.63Å; L218-W230 HydrophobicContact CD1-CD2 4.48Å; L218-W230 HydrophobicContact CD1-CH2 3.86Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.24Å; L218-W230 HydrophobicContact CD2-CD2 4.01Å; L218-W230 HydrophobicContact CD2-CG 4.08Å; L218-W230 HydrophobicContact CD2-CZ2 4.35Å; L218-W230 HydrophobicContact CG-CZ2 4.13Å; L218-W230 PolarHBondContact O-NE1 2.95Å; L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.04Å; L218-F238 HydrophobicContact CD1-CD2 3.93Å; L218-F238 HydrophobicContact CD1-CG 3.61Å; L218-F238 HydrophobicContact CD2-CB 4.08Å; L218-F289 HydrophobicContact CD1-CE2 4.18Å
219Q87.1Confident85.9Confident36 Ų3659.1 Ų59.117%0.16828%0.279CS..THydrogen-bonded Turntrans-105.4-19.2170.3-68.4166101.600111.8L215 D216 L217 K221 N295 I296 I299L215-Q219 WeakPolarHBondContact O-CG 3.27Å; L215-Q219 PolarHBondContact O-N 2.85Å; L215-Q219 PolarHBondContact O-NE2 3.41Å; D216-Q219 WeakPolarHBondContact O-CA 3.39Å; D216-Q219 WeakPolarHBondContact O-CB 3.32Å; D216-Q219 PolarHBondContact O-N 3.31Å; L217-Q219 VanDerWaalsContact C-N 3.35Å; Q219-K221 PolarHBondContact O-N 3.41Å; Q219-N295 PolarHBondContact OE1-O 3.46Å; Q219-I296 HydrophobicContact CG-CG1 4.07Å; Q219-I299 WeakPolarHBondContact O-CD1 3.4Å
220D83.4Confident85.9Confident85 Ų8555 Ų5546%0.45526%0.263SS..  trans-67.593.5174.6-81.2-24.6000112.3D216 N222 T223 C224D216-D220 PolarHBondContact O-N 2.95Å; D216-D220 VanDerWaalsContact O-N 3.15Å; D220-N222 PolarHBondContact O-N 2.97Å; D220-N222 VanDerWaalsContact O-N 3.08Å; D220-T223 PolarHBondContact O-N 2.89Å; D220-C224 PolarHBondContact O-N 3.19Å
221K67.9Low85.8Confident125 Ų12557.8 Ų57.854%0.54328%0.28SS..THydrogen-bonded Turntrans-44.3-42.2174.3-68.8-150-177-143.60113.3Q219 T223 C224 I299 D300Q219-K221 PolarHBondContact O-N 3.41Å; K221-T223 PolarHBondContact O-N 3.11Å; K221-C224 VanDerWaalsContact O-O 3.14Å; K221-I299 HydrophobicContact CD-CG2 3.99Å; K221-I299 HydrophobicContact CG-CD1 3.83Å; K221-I299 HydrophobicContact CG-CG1 4.35Å; K221-I299 HydrophobicContact CG-CG2 3.93Å; K221-D300 PolarHBondContact NZ-O 2.97Å
222N64.2Low85.6Confident160 Ų16058 Ų5886%0.85628%0.284SS*.THydrogen-bonded Turntrans-79.1-6.7-171.6-57.313.1000113.2D220D220-N222 PolarHBondContact O-N 2.97Å; D220-N222 VanDerWaalsContact O-N 3.08Å
223T62.7Low85.4Confident32 Ų3258.9 Ų58.920%0.19629%0.285CS..THydrogen-bonded Turntrans-122-31.2-171-49.60000112L217 D220 K221 R226 Y227L217-T223 HydrophobicContact CD1-CG2 3.52Å; D220-T223 PolarHBondContact O-N 2.89Å; K221-T223 PolarHBondContact O-N 3.11Å; T223-R226 PolarHBondContact O-N 3.35Å; T223-Y227 HydrophobicContact CG2-CD2 3.44Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.44Å; T223-Y227 HydrophobicContact CG2-CE2 3.91Å; T223-Y227 HydrophobicContact CG2-CG 4.48Å; T223-Y227 PolarHBondContact O-N 2.86Å
224C64.7Low85.2Confident31 Ų3164.4 Ų64.421%0.20931%0.31CS..THydrogen-bonded Turntrans-66152.5154.6-68.30000110.1L217 D220 K221 R226 I228L217-C224 PolarHBondContact O-SG 3.23Å; D220-C224 PolarHBondContact O-N 3.19Å; K221-C224 VanDerWaalsContact O-O 3.14Å; C224-R226 VanDerWaalsContact C-N 3.29Å; C224-I228 PolarHBondContact SG-O 2.92Å; C224-I228 VanDerWaalsContact SG-O 3.41Å
225P78.9Confident85Confident89 Ų8969.6 Ų69.658%0.57833%0.333SS*.THydrogen-bonded Turncis-83.95.4-12.536.3-36000113.2Y227 I228 K229 V241P225-Y227 PolarHBondContact O-N 2.9Å; P225-I228 CarbonylContact C-O 3.41Å; P225-I228 WeakPolarHBondContact CA-O 3.29Å; P225-K229 HydrophobicContact CB-CB 4.02Å; P225-K229 HydrophobicContact CB-CD 4.07Å; P225-V241 WeakPolarHBondContact O-CG2 3.28Å
226R86.3Confident85Confident180 Ų18069.4 Ų69.468%0.67933%0.332SS*.THydrogen-bonded Turntrans-64.3-40.1-163.7-171.2-179.6178168.11114.3T223 C224T223-R226 PolarHBondContact O-N 3.35Å; C224-R226 VanDerWaalsContact C-N 3.29Å
227Y91Very high85.2Confident64 Ų6466.8 Ų66.825%0.25132%0.318SS..SBendtrans-109.1-36-177.3-53.5-38.5000112.8T223 P225 V241 D242 A245 V246T223-Y227 HydrophobicContact CG2-CD2 3.44Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.44Å; T223-Y227 HydrophobicContact CG2-CE2 3.91Å; T223-Y227 HydrophobicContact CG2-CG 4.48Å; T223-Y227 PolarHBondContact O-N 2.86Å; P225-Y227 PolarHBondContact O-N 2.9Å; Y227-V241 PolarHBondContact O-N 2.91Å; Y227-D242 HydrophobicContact CD1-CB 4.26Å; Y227-D242 PolarHBondContact O-N 3.41Å; Y227-D242 VanDerWaalsContact O-N 3.13Å; Y227-A245 HydrophobicContact CD1-CB 3.32Å; Y227-A245 HydrophobicContact CD2-CB 4.44Å; Y227-A245 HydrophobicContact CE1-CB 3.61Å; Y227-A245 HydrophobicContact CG-CB 3.81Å; Y227-V246 VanDerWaalsContact O-CG2 3.32Å; Y227-V246 WeakPolarHBondContact O-CG2 3.34Å
228I94.6Very high85.4Confident0 Ų066.6 Ų66.60%032%0.317CS..EExtended strand (participates in β ladder)trans-144.6153.2177.2-157.8165.5000108.2L214 L217 L218 C224 P225 F238 K239 L240 V246L214-I228 HydrophobicContact CB-CD1 4.45Å; L214-I228 HydrophobicContact CD2-CD1 3.71Å; L217-I228 HydrophobicContact CB-CG2 4.3Å; L217-I228 HydrophobicContact CD2-CG2 4.01Å; L217-I228 HydrophobicContact CG-CG2 3.73Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.37Å; L218-I228 HydrophobicContact CD2-CB 4.44Å; L218-I228 HydrophobicContact CD2-CD1 4.39Å; L218-I228 HydrophobicContact CD2-CG1 3.93Å; L218-I228 HydrophobicContact CD2-CG2 3.92Å; L218-I228 HydrophobicContact CG-CD1 3.92Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.92Å; C224-I228 PolarHBondContact SG-O 2.92Å; C224-I228 VanDerWaalsContact SG-O 3.41Å; P225-I228 CarbonylContact C-O 3.41Å; P225-I228 WeakPolarHBondContact CA-O 3.29Å; I228-F238 HydrophobicContact CD1-CD2 3.86Å; I228-F238 HydrophobicContact CD1-CE2 4.12Å; I228-F238 HydrophobicContact CG1-CD2 4.16Å; I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.47Å; I228-L240 HydrophobicContact CD1-CD1 3.55Å; I228-L240 HydrophobicContact CD1-CG 4.2Å; I228-L240 HydrophobicContact CG1-CD1 3.92Å; I228-L240 HydrophobicContact CG1-CG 4.34Å; I228-V246 HydrophobicContact CB-CG2 4.37Å
229K92.9Very high85.6Confident95 Ų9570.3 Ų70.341%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-152.1155.8170.870176.4-169.4168.20112.4L218 P225 F238 K239 V241L218-K229 VanDerWaalsContact CD2-C 3.43Å; P225-K229 HydrophobicContact CB-CB 4.02Å; P225-K229 HydrophobicContact CB-CD 4.07Å; K229-F238 CarbonylContact O-C 3.52Å; K229-F238 VanDerWaalsContact O-CA 3.3Å; K229-F238 WeakPolarHBondContact O-CA 3.4Å; K229-F238 WeakPolarHBondContact O-CB 3.31Å; K229-K239 PolarHBondContact N-O 3.03Å; K229-K239 PolarHBondContact O-N 3.25Å; K229-V241 HydrophobicContact CD-CG2 4.26Å; K229-V241 HydrophobicContact CG-CG2 3.96Å
230W93.2Very high86Confident37 Ų3768.6 Ų68.614%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-66.3141.4163.3-64.4103.1000110L215 L218 R233 F238 F289 M292 I296L215-W230 HydrophobicContact CD1-CH2 4.14Å; L215-W230 HydrophobicContact CD1-CZ2 4.21Å; L218-W230 HydrophobicContact CB-CZ2 3.63Å; L218-W230 HydrophobicContact CD1-CD2 4.48Å; L218-W230 HydrophobicContact CD1-CH2 3.86Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.24Å; L218-W230 HydrophobicContact CD2-CD2 4.01Å; L218-W230 HydrophobicContact CD2-CG 4.08Å; L218-W230 HydrophobicContact CD2-CZ2 4.35Å; L218-W230 HydrophobicContact CG-CZ2 4.13Å; L218-W230 PolarHBondContact O-NE1 2.95Å; W230-R233 HydrophobicContact CB-CB 4.18Å; W230-R233 HydrophobicContact CD2-CB 4.35Å; W230-R233 HydrophobicContact CD2-CG 4.22Å; W230-R233 HydrophobicContact CG-CB 4.16Å; W230-R233 HydrophobicContact CG-CG 4.24Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.22Å; W230-F238 HydrophobicContact CZ3-CD1 4.32Å; W230-F289 AromaticContact CH2-CD2 3.9Å; W230-F289 HydrophobicContact CH2-CD2 3.9Å; W230-F289 AromaticContact CH2-CE2 3.82Å; W230-F289 HydrophobicContact CH2-CE2 3.82Å; W230-F289 HydrophobicContact CZ3-CD2 4.05Å; W230-F289 HydrophobicContact CZ3-CE2 4.24Å; W230-M292 HydrophobicContact CH2-CE 3.66Å; W230-M292 HydrophobicContact CH2-SD 4.15Å; W230-M292 HydrophobicContact CZ2-CE 4.11Å; W230-M292 HydrophobicContact CZ3-CE 3.97Å; W230-M292 HydrophobicContact CZ3-SD 4.32Å; W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.44Å; W230-I296 VanDerWaalsContact CZ2-CD1 3.44Å
231T92.7Very high86.6Confident59 Ų5967.9 Ų67.936%0.36232%0.323SS..EExtended strand (participates in β ladder)trans-106.3-39.7170.8-53.40000110.2I237T231-I237 PolarHBondContact N-O 3Å
232Q91.6Very high87.9Confident67 Ų6764.9 Ų64.931%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-146.793.5174-91.3158.481.700105.9E234 K235 G236 I237Q232-E234 VanDerWaalsContact C-N 3.32Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.46Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.44Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.33Å; Q232-E234 PolarHBondContact O-N 3.17Å; Q232-K235 HydrophobicContact CB-CB 4.3Å; Q232-K235 PolarHBondContact O-N 3.49Å; Q232-G236 PolarHBondContact O-N 2.61Å; Q232-I237 HydrophobicContact CB-CB 4.08Å; Q232-I237 HydrophobicContact CB-CD1 4.16Å; Q232-I237 HydrophobicContact CB-CG1 4.37Å; Q232-I237 PolarHBondContact N-O 2.82Å; Q232-I237 VanDerWaalsContact N-O 3.09Å; Q232-I237 PolarHBondContact O-N 3Å
233R88.7Confident89.4Confident77 Ų7758.3 Ų58.329%0.29128%0.28SS..THydrogen-bonded Turntrans-63.3-40.4-172.6-177.2-172.2-77.3170.1-7.5110.9W230 K235 G236 M292 I296 I299W230-R233 HydrophobicContact CB-CB 4.18Å; W230-R233 HydrophobicContact CD2-CB 4.35Å; W230-R233 HydrophobicContact CD2-CG 4.22Å; W230-R233 HydrophobicContact CG-CB 4.16Å; W230-R233 HydrophobicContact CG-CG 4.24Å; R233-K235 VanDerWaalsContact C-N 3.28Å; R233-K235 PolarHBondContact O-N 3.27Å; R233-G236 PolarHBondContact O-N 2.95Å; R233-G236 VanDerWaalsContact O-N 3.07Å; R233-M292 HydrophobicContact CG-CE 4.42Å; R233-M292 WeakPolarHBondContact O-CE 3.44Å; R233-I296 HydrophobicContact CG-CD1 4.37Å; R233-I299 VanDerWaalsContact CZ-O 3.23Å; R233-I299 PolarHBondContact NH1-O 2.79Å; R233-I299 PolarHBondContact NH2-O 3.35Å
234E89.1Confident91Very high128 Ų12864.3 Ų64.360%0.59830%0.303SS*.THydrogen-bonded Turntrans-65-27.3-18077-55.3149.400113.5Q232Q232-E234 VanDerWaalsContact C-N 3.32Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.46Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.44Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.33Å; Q232-E234 PolarHBondContact O-N 3.17Å
235K90.6Very high92.4Very high109 Ų10963.6 Ų63.647%0.47430%0.3SS..THydrogen-bonded Turntrans-99.33.8173.3-63.9174.3-153.1164.90113.2Q232 R233 I237 Q288Q232-K235 HydrophobicContact CB-CB 4.3Å; Q232-K235 PolarHBondContact O-N 3.49Å; R233-K235 VanDerWaalsContact C-N 3.28Å; R233-K235 PolarHBondContact O-N 3.27Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 3.99Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.39Å; K235-I237 PolarHBondContact O-N 3.31Å; K235-Q288 VanDerWaalsContact O-CG 3.31Å; K235-Q288 WeakPolarHBondContact O-CG 3.24Å; K235-Q288 PolarHBondContact O-NE2 3.04Å
236G92.4Very high93.2Very high0 Ų059.4 Ų59.40%027%0.272CS..THydrogen-bonded Turntrans65.922-176.400000114.8Q232 R233 Q288 F289 M292Q232-G236 PolarHBondContact O-N 2.61Å; R233-G236 PolarHBondContact O-N 2.95Å; R233-G236 VanDerWaalsContact O-N 3.07Å; G236-Q288 CarbonylContact O-C 3.55Å; G236-Q288 WeakPolarHBondContact O-CA 3.4Å; G236-F289 PolarHBondContact O-N 3.24Å; G236-M292 VanDerWaalsContact CA-SD 3.56Å
237I94.6Very high93.7Very high18 Ų1850.9 Ų50.99%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-90.1126.6-179-53.1173.4000110T231 Q232 K235 V280 V286 Y287 Q288T231-I237 PolarHBondContact N-O 3Å; Q232-I237 HydrophobicContact CB-CB 4.08Å; Q232-I237 HydrophobicContact CB-CD1 4.16Å; Q232-I237 HydrophobicContact CB-CG1 4.37Å; Q232-I237 PolarHBondContact N-O 2.82Å; Q232-I237 VanDerWaalsContact N-O 3.09Å; Q232-I237 PolarHBondContact O-N 3Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 3.99Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.39Å; K235-I237 PolarHBondContact O-N 3.31Å; I237-V280 HydrophobicContact CG2-CG2 4.05Å; I237-V286 HydrophobicContact CG2-CG1 3.58Å; I237-Y287 WeakPolarHBondContact CA-O 3.35Å; I237-Q288 HydrophobicContact CG1-CB 4.01Å; I237-Q288 HydrophobicContact CG1-CG 3.69Å
238F95.4Very high93.9Very high0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-132.8156.5179.564.9-87.7000112.3L218 I228 K229 W230 L240 L277 V286 Y287 F289L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.04Å; L218-F238 HydrophobicContact CD1-CD2 3.93Å; L218-F238 HydrophobicContact CD1-CG 3.61Å; L218-F238 HydrophobicContact CD2-CB 4.08Å; I228-F238 HydrophobicContact CD1-CD2 3.86Å; I228-F238 HydrophobicContact CD1-CE2 4.12Å; I228-F238 HydrophobicContact CG1-CD2 4.16Å; K229-F238 CarbonylContact O-C 3.52Å; K229-F238 VanDerWaalsContact O-CA 3.3Å; K229-F238 WeakPolarHBondContact O-CA 3.4Å; K229-F238 WeakPolarHBondContact O-CB 3.31Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.22Å; W230-F238 HydrophobicContact CZ3-CD1 4.32Å; F238-L240 HydrophobicContact CD2-CD1 3.89Å; F238-L240 HydrophobicContact CE2-CD1 3.65Å; F238-L277 HydrophobicContact CE1-CD2 3.65Å; F238-L277 HydrophobicContact CZ-CD1 4.46Å; F238-L277 HydrophobicContact CZ-CD2 3.83Å; F238-V286 WeakPolarHBondContact O-CA 3.42Å; F238-V286 WeakPolarHBondContact O-CG1 3.49Å; F238-Y287 HydrophobicContact CD2-CD2 4.35Å; F238-Y287 AromaticContact CE2-CD2 3.8Å; F238-Y287 HydrophobicContact CE2-CD2 3.8Å; F238-Y287 HydrophobicContact CE2-CG 4.25Å; F238-Y287 HydrophobicContact CZ-CD2 4.27Å; F238-Y287 HydrophobicContact CZ-CG 4.26Å; F238-Y287 PolarHBondContact N-O 2.91Å; F238-Y287 PolarHBondContact O-N 3.3Å; F238-F289 AromaticContact CD1-CD2 3.69Å; F238-F289 HydrophobicContact CD1-CD2 3.69Å; F238-F289 AromaticContact CD1-CE2 3.52Å; F238-F289 HydrophobicContact CD1-CE2 3.52Å; F238-F289 HydrophobicContact CD1-CZ 4.46Å; F238-F289 AromaticContact CE1-CD2 3.5Å; F238-F289 HydrophobicContact CE1-CD2 3.5Å; F238-F289 VanDerWaalsContact CE1-CD2 3.5Å; F238-F289 HydrophobicContact CE1-CE1 4.49Å; F238-F289 AromaticContact CE1-CE2 3.24Å; F238-F289 HydrophobicContact CE1-CE2 3.24Å; F238-F289 HydrophobicContact CE1-CG 4.24Å; F238-F289 AromaticContact CE1-CZ 3.8Å; F238-F289 HydrophobicContact CE1-CZ 3.8Å; F238-F289 HydrophobicContact CZ-CE2 4.08Å; F238-F289 HydrophobicContact CZ-CZ 4.25Å
239K95.3Very high93.9Very high84 Ų8457.6 Ų57.637%0.36527%0.273SS..EExtended strand (participates in β ladder)trans-120.2129.7176.6-175.3165.9-173.6177.20110.6I228 K229 V241 L285 V286I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.47Å; K229-K239 PolarHBondContact N-O 3.03Å; K229-K239 PolarHBondContact O-N 3.25Å; K239-V241 PolarHBondContact O-N 3.36Å; K239-L285 WeakPolarHBondContact CA-O 3.38Å; K239-V286 HydrophobicContact CB-CG2 3.95Å; K239-V286 HydrophobicContact CD-CG2 3.8Å; K239-V286 HydrophobicContact CG-CG2 3.76Å
240L96.3Very high94Very high0 Ų053.9 Ų53.90%026%0.257CS..EExtended strand (participates in β ladder)trans-74.5116.1161.7-87.365.2000107.4L214 I228 F238 V246 M264 L285 Y287L214-L240 HydrophobicContact CD2-CD1 4.45Å; I228-L240 HydrophobicContact CD1-CD1 3.55Å; I228-L240 HydrophobicContact CD1-CG 4.2Å; I228-L240 HydrophobicContact CG1-CD1 3.92Å; I228-L240 HydrophobicContact CG1-CG 4.34Å; F238-L240 HydrophobicContact CD2-CD1 3.89Å; F238-L240 HydrophobicContact CE2-CD1 3.65Å; L240-V246 HydrophobicContact CD2-CB 4.27Å; L240-V246 HydrophobicContact CD2-CG1 4.09Å; L240-V246 HydrophobicContact CG-CB 4.49Å; L240-V246 HydrophobicContact CG-CG1 4.39Å; L240-V246 HydrophobicContact CG-CG2 4.23Å; L240-M264 HydrophobicContact CD2-CE 3.78Å; L240-L285 HydrophobicContact CB-CB 4.15Å; L240-L285 PolarHBondContact N-O 3.23Å; L240-L285 WeakPolarHBondContact O-CB 3.26Å; L240-Y287 HydrophobicContact CD1-CD2 4.02Å; L240-Y287 HydrophobicContact CD1-CE2 3.85Å; L240-Y287 HydrophobicContact CD2-CE2 4.47Å
241V95.1Very high94.1Very high71 Ų7152.2 Ų52.243%0.4325%0.251SS..SBendtrans-84.7-47-179.1178.20000109.9P225 Y227 K229 K239P225-V241 WeakPolarHBondContact O-CG2 3.28Å; Y227-V241 PolarHBondContact O-N 2.91Å; K229-V241 HydrophobicContact CD-CG2 4.26Å; K229-V241 HydrophobicContact CG-CG2 3.96Å; K239-V241 PolarHBondContact O-N 3.36Å
242D95.5Very high94.1Very high62 Ų6257.7 Ų57.733%0.33227%0.27SS..  trans-120.496.5167.6-178.1-7.6000109.9Y227 K244 A245 V246Y227-D242 HydrophobicContact CD1-CB 4.26Å; Y227-D242 PolarHBondContact O-N 3.41Å; Y227-D242 VanDerWaalsContact O-N 3.13Å; D242-K244 PolarHBondContact O-N 2.94Å; D242-K244 WeakPolarHBondContact OD1-CA 3.4Å; D242-K244 VanDerWaalsContact OD1-CB 3.28Å; D242-K244 WeakPolarHBondContact OD1-CB 3.25Å; D242-K244 PolarHBondContact OD1-N 3.48Å; D242-A245 HydrophobicContact CB-CB 3.91Å; D242-A245 VanDerWaalsContact CG-CB 3.47Å; D242-A245 PolarHBondContact O-N 2.87Å; D242-A245 PolarHBondContact OD1-N 2.96Å; D242-A245 VanDerWaalsContact OD2-CB 3.26Å; D242-A245 WeakPolarHBondContact OD2-CB 3.41Å; D242-V246 WeakPolarHBondContact O-CG2 3.35Å; D242-V246 PolarHBondContact O-N 2.9Å
243S95.8Very high94.1Very high22 Ų2258.4 Ų58.415%0.15427%0.273CS..Hα-helixtrans-64-24.1177.260.50000113.7S247S243-S247 WeakPolarHBondContact O-CB 3.46Å; S243-S247 PolarHBondContact O-N 3.2Å; S243-S247 PolarHBondContact O-OG 3.35Å
244K95.9Very high94.3Very high157 Ų15758.2 Ų58.268%0.68327%0.274SS*.Hα-helixtrans-75.2-45175.7-58.8176.7-179174.80110D242 S247 K248D242-K244 PolarHBondContact O-N 2.94Å; D242-K244 WeakPolarHBondContact OD1-CA 3.4Å; D242-K244 VanDerWaalsContact OD1-CB 3.28Å; D242-K244 WeakPolarHBondContact OD1-CB 3.25Å; D242-K244 PolarHBondContact OD1-N 3.48Å; K244-S247 PolarHBondContact O-N 2.77Å; K244-K248 WeakPolarHBondContact O-CG 3.33Å; K244-K248 PolarHBondContact O-N 3.02Å
245A94.8Very high94.5Very high17 Ų1758.9 Ų58.914%0.1428%0.282CS..Hα-helixtrans-64.1-46.1176.200000112.6Y227 D242 S247 K248 L249Y227-A245 HydrophobicContact CD1-CB 3.32Å; Y227-A245 HydrophobicContact CD2-CB 4.44Å; Y227-A245 HydrophobicContact CE1-CB 3.61Å; Y227-A245 HydrophobicContact CG-CB 3.81Å; D242-A245 HydrophobicContact CB-CB 3.91Å; D242-A245 VanDerWaalsContact CG-CB 3.47Å; D242-A245 PolarHBondContact O-N 2.87Å; D242-A245 PolarHBondContact OD1-N 2.96Å; D242-A245 VanDerWaalsContact OD2-CB 3.26Å; D242-A245 WeakPolarHBondContact OD2-CB 3.41Å; A245-S247 VanDerWaalsContact C-N 3.28Å; A245-S247 PolarHBondContact O-N 3.16Å; A245-K248 PolarHBondContact O-N 3.23Å; A245-L249 WeakPolarHBondContact O-CB 3.44Å; A245-L249 PolarHBondContact O-N 3.17Å
246V95.9Very high94.6Very high0 Ų059.7 Ų59.70%029%0.285CS..Hα-helixtrans-58.5-41.5175.6176.20000111.1F213 L214 L217 Y227 I228 L240 D242 L249 W250 M264F213-V246 HydrophobicContact CE1-CG1 4.46Å; L214-V246 HydrophobicContact CD2-CG1 3.58Å; L217-V246 HydrophobicContact CD2-CG1 4.1Å; L217-V246 HydrophobicContact CD2-CG2 4.06Å; Y227-V246 VanDerWaalsContact O-CG2 3.32Å; Y227-V246 WeakPolarHBondContact O-CG2 3.34Å; I228-V246 HydrophobicContact CB-CG2 4.37Å; L240-V246 HydrophobicContact CD2-CB 4.27Å; L240-V246 HydrophobicContact CD2-CG1 4.09Å; L240-V246 HydrophobicContact CG-CB 4.49Å; L240-V246 HydrophobicContact CG-CG1 4.39Å; L240-V246 HydrophobicContact CG-CG2 4.23Å; D242-V246 WeakPolarHBondContact O-CG2 3.35Å; D242-V246 PolarHBondContact O-N 2.9Å; V246-L249 PolarHBondContact O-N 3.49Å; V246-W250 WeakPolarHBondContact O-CB 3.23Å; V246-W250 PolarHBondContact O-N 2.74Å; V246-M264 HydrophobicContact CB-CE 4.48Å; V246-M264 HydrophobicContact CG1-CE 3.98Å; V246-M264 HydrophobicContact CG1-SD 4.11Å
247S96.4Very high94.5Very high1 Ų164.8 Ų64.81%0.00732%0.319CS..Hα-helixtrans-65.2-42.3176.9-57.60000112.9S243 K244 A245 L249 W250 G251 M259 Y261 M264S243-S247 WeakPolarHBondContact O-CB 3.46Å; S243-S247 PolarHBondContact O-N 3.2Å; S243-S247 PolarHBondContact O-OG 3.35Å; K244-S247 PolarHBondContact O-N 2.77Å; A245-S247 VanDerWaalsContact C-N 3.28Å; A245-S247 PolarHBondContact O-N 3.16Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-W250 PolarHBondContact O-N 3.04Å; S247-G251 PolarHBondContact O-N 3.03Å; S247-M259 WeakPolarHBondContact O-CG 3.22Å; S247-Y261 WeakPolarHBondContact OG-CA 3.38Å; S247-Y261 WeakPolarHBondContact OG-CB 3.38Å; S247-Y261 PolarHBondContact OG-N 3.43Å; S247-Y261 VanDerWaalsContact OG-N 3.1Å; S247-M264 WeakPolarHBondContact OG-CE 3.2Å
248K95Very high94.5Very high151 Ų15170.2 Ų70.266%0.65735%0.348SS*.Hα-helixtrans-63.3-39.5174.8-75.5179.7176.3-175.10112K244 A245 G251 K252K244-K248 WeakPolarHBondContact O-CG 3.33Å; K244-K248 PolarHBondContact O-N 3.02Å; A245-K248 PolarHBondContact O-N 3.23Å; K248-G251 PolarHBondContact O-N 3.3Å; K248-K252 PolarHBondContact O-N 3.26Å
249L94.6Very high94.5Very high55 Ų5571.7 Ų71.729%0.28836%0.355SS..Hα-helixtrans-70.3-40.3179.3-168.464000111.6F213 L217 A245 V246 S247 G251 K252 H253F213-L249 HydrophobicContact CE2-CG 4.27Å; F213-L249 HydrophobicContact CZ-CB 4.06Å; F213-L249 HydrophobicContact CZ-CD2 4.13Å; F213-L249 HydrophobicContact CZ-CG 3.85Å; L217-L249 HydrophobicContact CD1-CD2 3.4Å; L217-L249 HydrophobicContact CD2-CD2 4.16Å; L217-L249 HydrophobicContact CG-CD2 4.44Å; A245-L249 WeakPolarHBondContact O-CB 3.44Å; A245-L249 PolarHBondContact O-N 3.17Å; V246-L249 PolarHBondContact O-N 3.49Å; S247-L249 VanDerWaalsContact C-N 3.34Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.29Å; L249-K252 WeakPolarHBondContact O-CB 3.26Å; L249-K252 PolarHBondContact O-N 3.17Å; L249-H253 PolarHBondContact O-N 3.44Å
250W95.3Very high94.6Very high17 Ų1771 Ų716%0.06436%0.355CS..Hα-helixtrans-61.4-40.3169.4176.9-129.2000112.3T208 Y209 L210 F213 V246 S247 H253 K254 M259 M264T208-W250 WeakPolarHBondContact O-CH2 3.45Å; Y209-W250 VanDerWaalsContact C-CH2 3.42Å; L210-W250 VanDerWaalsContact CA-CH2 3.45Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.78Å; L210-W250 HydrophobicContact CD1-CE3 4.33Å; L210-W250 HydrophobicContact CD1-CG 3.88Å; L210-W250 HydrophobicContact CD1-CZ2 4.28Å; L210-W250 VanDerWaalsContact N-CH2 3.33Å; F213-W250 HydrophobicContact CB-CE3 3.68Å; F213-W250 HydrophobicContact CB-CH2 4.42Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.15Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.54Å; F213-W250 HydrophobicContact CD1-CE3 3.54Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.21Å; F213-W250 AromaticContact CD2-CE3 3.89Å; F213-W250 HydrophobicContact CD2-CE3 3.89Å; F213-W250 HydrophobicContact CD2-CZ3 4.3Å; F213-W250 HydrophobicContact CE1-CB 3.67Å; F213-W250 HydrophobicContact CE1-CE3 4.15Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.44Å; F213-W250 HydrophobicContact CG-CD2 4.43Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.07Å; V246-W250 WeakPolarHBondContact O-CB 3.23Å; V246-W250 PolarHBondContact O-N 2.74Å; S247-W250 PolarHBondContact O-N 3.04Å; W250-H253 HydrophobicContact CE3-CB 4.37Å; W250-H253 AromaticContact CZ3-CD2 3.82Å; W250-H253 PolarHBondContact O-N 3.04Å; W250-K254 HydrophobicContact CD2-CD 4.43Å; W250-K254 HydrophobicContact CD2-CG 4.34Å; W250-K254 HydrophobicContact CE3-CD 4.35Å; W250-K254 HydrophobicContact CE3-CG 4.09Å; W250-K254 HydrophobicContact CH2-CD 3.38Å; W250-K254 HydrophobicContact CH2-CG 3.98Å; W250-K254 HydrophobicContact CZ2-CD 3.39Å; W250-K254 HydrophobicContact CZ2-CG 4.16Å; W250-K254 HydrophobicContact CZ3-CD 3.85Å; W250-K254 HydrophobicContact CZ3-CG 3.91Å; W250-K254 PolarHBondContact O-N 3.47Å; W250-M259 HydrophobicContact CB-CG 4.49Å; W250-M259 HydrophobicContact CG-CG 4.36Å; W250-M264 HydrophobicContact CB-SD 4.18Å; W250-M264 HydrophobicContact CG-SD 4.32Å
251G94.8Very high94.7Very high2 Ų273.7 Ų73.72%0.02137%0.366CS..Hα-helixtrans-57.5-50.1171.600000112.3S247 K248 L249 H253 K254 N255 K256S247-G251 PolarHBondContact O-N 3.03Å; K248-G251 PolarHBondContact O-N 3.3Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.29Å; G251-H253 PolarHBondContact O-N 3.06Å; G251-K254 CarbonylContact O-C 3.6Å; G251-K254 PolarHBondContact O-N 3.22Å; G251-N255 CarbonylContact O-C 3.54Å; G251-N255 WeakPolarHBondContact O-CA 3.19Å; G251-N255 PolarHBondContact O-N 2.93Å; G251-K256 CarbonylContact C-O 3.59Å; G251-K256 WeakPolarHBondContact CA-O 3.38Å; G251-K256 PolarHBondContact O-N 3.38Å
252K93.4Very high94.7Very high174 Ų17474.6 Ų74.676%0.75737%0.365SS*.Hα-helixtrans-57.7-46.1174.9-171.3-178.9178.7-174.90111.7K248 L249 K254 N255K248-K252 PolarHBondContact O-N 3.26Å; L249-K252 WeakPolarHBondContact O-CB 3.26Å; L249-K252 PolarHBondContact O-N 3.17Å; K252-K254 VanDerWaalsContact C-N 3.31Å; K252-K254 PolarHBondContact O-N 2.87Å; K252-N255 PolarHBondContact O-N 3.21Å
253H91.7Very high94.7Very high82 Ų8275.3 Ų75.338%0.3837%0.372SS..Hα-helixtrans-59.9-35.7178.8-171.180.4000113.6T208 F213 L249 W250 G251T208-H253 WeakPolarHBondContact CB-NE2 3.34Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.14Å; T208-H253 PolarHBondContact OG1-NE2 3.46Å; F213-H253 HydrophobicContact CD2-CB 4.11Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å; L249-H253 PolarHBondContact O-N 3.44Å; W250-H253 HydrophobicContact CE3-CB 4.37Å; W250-H253 AromaticContact CZ3-CD2 3.82Å; W250-H253 PolarHBondContact O-N 3.04Å; G251-H253 PolarHBondContact O-N 3.06Å
254K92.1Very high94.7Very high72 Ų7274.3 Ų74.331%0.31337%0.365SS..THydrogen-bonded Turntrans-102.711.3179.2-61-151.669.1142.40114.9N206 T208 W250 G251 K252 K256N206-K254 PolarHBondContact O-NZ 3.25Å; N206-K254 VanDerWaalsContact O-NZ 3.11Å; T208-K254 PolarHBondContact O-NZ 2.98Å; W250-K254 HydrophobicContact CD2-CD 4.43Å; W250-K254 HydrophobicContact CD2-CG 4.34Å; W250-K254 HydrophobicContact CE3-CD 4.35Å; W250-K254 HydrophobicContact CE3-CG 4.09Å; W250-K254 HydrophobicContact CH2-CD 3.38Å; W250-K254 HydrophobicContact CH2-CG 3.98Å; W250-K254 HydrophobicContact CZ2-CD 3.39Å; W250-K254 HydrophobicContact CZ2-CG 4.16Å; W250-K254 HydrophobicContact CZ3-CD 3.85Å; W250-K254 HydrophobicContact CZ3-CG 3.91Å; W250-K254 PolarHBondContact O-N 3.47Å; G251-K254 CarbonylContact O-C 3.6Å; G251-K254 PolarHBondContact O-N 3.22Å; K252-K254 VanDerWaalsContact C-N 3.31Å; K252-K254 PolarHBondContact O-N 2.87Å; K254-K256 VanDerWaalsContact C-N 3.29Å; K254-K256 HydrophobicContact CB-CG 4.48Å; K254-K256 PolarHBondContact O-N 3.19Å
255N92.9Very high94.8Very high143 Ų14366.9 Ų66.977%0.76533%0.333SS*.THydrogen-bonded Turntrans4749.1-172.3-161.830.6000113.4G251 K252G251-N255 CarbonylContact O-C 3.54Å; G251-N255 WeakPolarHBondContact O-CA 3.19Å; G251-N255 PolarHBondContact O-N 2.93Å; K252-N255 PolarHBondContact O-N 3.21Å
256K93.3Very high94.9Very high125 Ų12572.4 Ų72.454%0.54335%0.35SS..  trans-122.790.4175.3-69.6-57.3-176.9-172.80109.3G251 K254 D258 M259G251-K256 CarbonylContact C-O 3.59Å; G251-K256 WeakPolarHBondContact CA-O 3.38Å; G251-K256 PolarHBondContact O-N 3.38Å; K254-K256 VanDerWaalsContact C-N 3.29Å; K254-K256 HydrophobicContact CB-CG 4.48Å; K254-K256 PolarHBondContact O-N 3.19Å; K256-D258 VanDerWaalsContact C-N 3.26Å; K256-D258 PolarHBondContact O-N 2.95Å; K256-M259 HydrophobicContact CB-CB 4.45Å; K256-M259 HydrophobicContact CB-CE 4.17Å; K256-M259 VanDerWaalsContact O-CB 3.29Å; K256-M259 WeakPolarHBondContact O-CB 3.41Å; K256-M259 PolarHBondContact O-N 2.69Å
257P90.5Very high94.9Very high108 Ų10873.8 Ų73.870%0.70136%0.362SS*.THydrogen-bonded Turntrans-62.9-33-17625.1-33.3000112.6M259P257-M259 PolarHBondContact O-N 2.64Å; P257-M259 VanDerWaalsContact O-N 3.1Å
258D93.9Very high94.9Very high132 Ų13273.8 Ų73.871%0.70636%0.362SS*.THydrogen-bonded Turntrans-76.47.2-178-37.5-73.3000113.9K256 N260K256-D258 VanDerWaalsContact C-N 3.26Å; K256-D258 PolarHBondContact O-N 2.95Å; D258-N260 PolarHBondContact O-N 3.35Å; D258-N260 PolarHBondContact O-ND2 2.86Å
259M96.6Very high94.9Very high30 Ų3072.4 Ų72.415%0.14835%0.352CS..  trans-67.7117.7-178.2-172.362.466.100111.4S247 W250 K256 P257 T263 M264S247-M259 WeakPolarHBondContact O-CG 3.22Å; W250-M259 HydrophobicContact CB-CG 4.49Å; W250-M259 HydrophobicContact CG-CG 4.36Å; K256-M259 HydrophobicContact CB-CB 4.45Å; K256-M259 HydrophobicContact CB-CE 4.17Å; K256-M259 VanDerWaalsContact O-CB 3.29Å; K256-M259 WeakPolarHBondContact O-CB 3.41Å; K256-M259 PolarHBondContact O-N 2.69Å; P257-M259 PolarHBondContact O-N 2.64Å; P257-M259 VanDerWaalsContact O-N 3.1Å; M259-T263 HydrophobicContact SD-CG2 4.13Å; M259-M264 HydrophobicContact SD-CB 4.2Å
260N97.1Very high95Very high69 Ų6977.2 Ų77.237%0.36937%0.367SS..  trans-127.8167.9-178.363.675.5000110.5D258 E262 T263 M264D258-N260 PolarHBondContact O-N 3.35Å; D258-N260 PolarHBondContact O-ND2 2.86Å; N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 3.43Å; N260-E262 WeakPolarHBondContact OD1-CB 3.35Å; N260-E262 PolarHBondContact OD1-N 2.87Å; N260-T263 PolarHBondContact ND2-OG1 3.46Å; N260-T263 PolarHBondContact O-N 3.32Å; N260-T263 PolarHBondContact OD1-N 3.5Å; N260-T263 PolarHBondContact OD1-OG1 2.93Å; N260-M264 WeakPolarHBondContact O-CB 3.31Å; N260-M264 PolarHBondContact O-N 2.91Å
261Y97.3Very high95.1Very high57 Ų5777.1 Ų77.122%0.22437%0.367CS..Hα-helixtrans-65.2-29.9-176.1172.9-99.4000113.3S247 M264 G265 L268 L285 Y287S247-Y261 WeakPolarHBondContact OG-CA 3.38Å; S247-Y261 WeakPolarHBondContact OG-CB 3.38Å; S247-Y261 PolarHBondContact OG-N 3.43Å; S247-Y261 VanDerWaalsContact OG-N 3.1Å; Y261-M264 HydrophobicContact CD2-CE 3.97Å; Y261-G265 VanDerWaalsContact O-CA 3.28Å; Y261-G265 WeakPolarHBondContact O-CA 3.43Å; Y261-G265 PolarHBondContact O-N 3.09Å; Y261-L268 HydrophobicContact CE2-CD1 4.38Å; Y261-L285 HydrophobicContact CD2-CD2 4.45Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.67Å; Y261-Y287 PolarHBondContact OH-OH 3.11Å
262E96.1Very high95.1Very high91 Ų9180.4 Ų80.443%0.42538%0.379SS..Hα-helixtrans-71.8-32177.4-76.7-54118.200112.9N260 R266 R269N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 3.43Å; N260-E262 WeakPolarHBondContact OD1-CB 3.35Å; N260-E262 PolarHBondContact OD1-N 2.87Å; E262-R266 WeakPolarHBondContact O-CG 3.49Å; E262-R266 PolarHBondContact O-NE 3.28Å; E262-R266 VanDerWaalsContact O-NE 3.1Å; E262-R269 IonicContact OE2-NH2 2.71Å; E262-R269 PolarHBondContact OE2-NH2 3.32Å
263T95.8Very high95.1Very high76 Ų7680.7 Ų80.747%0.46638%0.384SS..Hα-helixtrans-75.3-50.6171.9-53.30000111.3M259 N260 G265 R266M259-T263 HydrophobicContact SD-CG2 4.13Å; N260-T263 PolarHBondContact ND2-OG1 3.46Å; N260-T263 PolarHBondContact O-N 3.32Å; N260-T263 PolarHBondContact OD1-N 3.5Å; N260-T263 PolarHBondContact OD1-OG1 2.93Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.07Å; T263-R266 WeakPolarHBondContact O-CB 3.16Å; T263-R266 PolarHBondContact O-N 3.33Å; T263-R266 VanDerWaalsContact O-N 3.11Å
264M96.4Very high95.2Very high2 Ų284 Ų841%0.0139%0.393CS..Hα-helixtrans-60.1-38.5177.1-173.3-178.973.800111.6L210 L240 V246 S247 W250 M259 N260 Y261 R266 A267 L268L210-M264 HydrophobicContact CD1-CG 3.73Å; L210-M264 HydrophobicContact CD1-SD 3.74Å; L210-M264 HydrophobicContact CD2-CG 3.45Å; L210-M264 VanDerWaalsContact CD2-CG 3.45Å; L210-M264 HydrophobicContact CD2-SD 4.42Å; L210-M264 HydrophobicContact CG-CG 4.25Å; L240-M264 HydrophobicContact CD2-CE 3.78Å; V246-M264 HydrophobicContact CB-CE 4.48Å; V246-M264 HydrophobicContact CG1-CE 3.98Å; V246-M264 HydrophobicContact CG1-SD 4.11Å; S247-M264 WeakPolarHBondContact OG-CE 3.2Å; W250-M264 HydrophobicContact CB-SD 4.18Å; W250-M264 HydrophobicContact CG-SD 4.32Å; M259-M264 HydrophobicContact SD-CB 4.2Å; N260-M264 WeakPolarHBondContact O-CB 3.31Å; N260-M264 PolarHBondContact O-N 2.91Å; Y261-M264 HydrophobicContact CD2-CE 3.97Å; M264-R266 PolarHBondContact O-N 3.43Å; M264-A267 WeakPolarHBondContact O-CB 3.3Å; M264-A267 PolarHBondContact O-N 3.46Å; M264-L268 PolarHBondContact O-N 3.22Å
265G96.7Very high95.3Very high1 Ų181.8 Ų81.81%0.0139%0.39CS..Hα-helixtrans-63.2-20.6176.800000114.3Y261 T263 R269Y261-G265 VanDerWaalsContact O-CA 3.28Å; Y261-G265 WeakPolarHBondContact O-CA 3.43Å; Y261-G265 PolarHBondContact O-N 3.09Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.07Å; G265-R269 VanDerWaalsContact O-CG 3.24Å; G265-R269 WeakPolarHBondContact O-CG 3.42Å; G265-R269 PolarHBondContact O-N 2.92Å
266R96.6Very high95.4Very high133 Ų13376.8 Ų76.850%0.50236%0.363SS..Hα-helixtrans-67.2-43.5169.6-52.5-51.3168.2110.2-7.9110.9E262 T263 M264 L268 R269 Y270E262-R266 WeakPolarHBondContact O-CG 3.49Å; E262-R266 PolarHBondContact O-NE 3.28Å; E262-R266 VanDerWaalsContact O-NE 3.1Å; T263-R266 WeakPolarHBondContact O-CB 3.16Å; T263-R266 PolarHBondContact O-N 3.33Å; T263-R266 VanDerWaalsContact O-N 3.11Å; M264-R266 PolarHBondContact O-N 3.43Å; R266-L268 PolarHBondContact O-N 2.95Å; R266-R269 PolarHBondContact O-N 3.41Å; R266-Y270 HydrophobicContact CB-CE2 4.24Å; R266-Y270 WeakPolarHBondContact O-CD2 3.33Å; R266-Y270 PolarHBondContact O-N 3.39Å
267A95.8Very high95.5Very high29 Ų2970.9 Ų70.924%0.2434%0.338CS..Hα-helixtrans-62.6-41.8175.400000111.7L210 M264 R269 Y270 Y271L210-A267 HydrophobicContact CB-CB 4.48Å; L210-A267 HydrophobicContact CD2-CB 3.7Å; M264-A267 WeakPolarHBondContact O-CB 3.3Å; M264-A267 PolarHBondContact O-N 3.46Å; A267-R269 PolarHBondContact O-N 2.97Å; A267-Y270 PolarHBondContact O-N 3.35Å; A267-Y271 HydrophobicContact CB-CE2 4.31Å; A267-Y271 WeakPolarHBondContact O-CD2 3.48Å; A267-Y271 VanDerWaalsContact O-CG 3.29Å; A267-Y271 PolarHBondContact O-N 3.34Å
268L96.6Very high95.8Very high1 Ų167.4 Ų67.41%0.00532%0.318CS..Hα-helixtrans-57.4-47.1172.3-64.6176.5000112.1L210 L214 Y261 M264 R266 Y270 Y271 Y272 L277 Y287L210-L268 HydrophobicContact CD2-CD2 3.89Å; L210-L268 HydrophobicContact CD2-CG 3.94Å; L214-L268 HydrophobicContact CD1-CD2 3.72Å; Y261-L268 HydrophobicContact CE2-CD1 4.38Å; M264-L268 PolarHBondContact O-N 3.22Å; R266-L268 PolarHBondContact O-N 2.95Å; L268-Y270 VanDerWaalsContact C-N 3.35Å; L268-Y270 PolarHBondContact O-N 3.14Å; L268-Y271 HydrophobicContact CD2-CD2 4.44Å; L268-Y271 WeakPolarHBondContact O-CB 3.37Å; L268-Y271 PolarHBondContact O-N 3.5Å; L268-Y271 VanDerWaalsContact O-N 3.09Å; L268-Y272 VanDerWaalsContact O-CD1 3.31Å; L268-Y272 WeakPolarHBondContact O-CD1 3.47Å; L268-Y272 WeakPolarHBondContact O-CE1 3.17Å; L268-Y272 PolarHBondContact O-N 3.32Å; L268-L277 HydrophobicContact CD2-CD1 3.66Å; L268-Y287 HydrophobicContact CB-CE1 4.43Å; L268-Y287 HydrophobicContact CD1-CE1 3.93Å; L268-Y287 HydrophobicContact CD1-CE2 4.32Å
269R96.1Very high95.9Very high121 Ų12165.8 Ų65.846%0.45731%0.305SS..Hα-helixtrans-62.4-37.7176.7-68.3170.3-156.4177.112.2112.4E262 G265 R266 A267 Y271 Y272E262-R269 IonicContact OE2-NH2 2.71Å; E262-R269 PolarHBondContact OE2-NH2 3.32Å; G265-R269 VanDerWaalsContact O-CG 3.24Å; G265-R269 WeakPolarHBondContact O-CG 3.42Å; G265-R269 PolarHBondContact O-N 2.92Å; R266-R269 PolarHBondContact O-N 3.41Å; A267-R269 PolarHBondContact O-N 2.97Å; R269-Y271 VanDerWaalsContact C-N 3.31Å; R269-Y271 PolarHBondContact O-N 3.27Å; R269-Y272 HydrophobicContact CB-CD2 4.47Å; R269-Y272 HydrophobicContact CB-CE2 4.36Å; R269-Y272 HydrophobicContact CG-CE2 4.02Å; R269-Y272 WeakPolarHBondContact O-CB 3.41Å; R269-Y272 PolarHBondContact O-N 3.35Å
270Y96.8Very high95.8Very high156 Ų15665.6 Ų65.661%0.61231%0.305SS*.Hα-helixtrans-66.1-30.4173.1-69.3-55.9000113.1R266 A267 L268 Y272 Q273 R274R266-Y270 HydrophobicContact CB-CE2 4.24Å; R266-Y270 WeakPolarHBondContact O-CD2 3.33Å; R266-Y270 PolarHBondContact O-N 3.39Å; A267-Y270 PolarHBondContact O-N 3.35Å; L268-Y270 VanDerWaalsContact C-N 3.35Å; L268-Y270 PolarHBondContact O-N 3.14Å; Y270-Y272 VanDerWaalsContact C-N 3.26Å; Y270-Y272 PolarHBondContact O-N 2.35Å; Y270-Q273 PolarHBondContact O-N 2.76Å; Y270-R274 WeakPolarHBondContact O-CG 3.31Å; Y270-R274 PolarHBondContact O-N 3.17Å
271Y96.3Very high95.7Very high16 Ų1668.5 Ų68.56%0.06332%0.317CS..Hα-helixtrans-70.2-20.5176.3-63.1-39.7000113.7L210 W211 A267 L268 R269 G275 I276 L277L210-Y271 HydrophobicContact CB-CE2 3.91Å; L210-Y271 HydrophobicContact CD2-CE2 4.24Å; L210-Y271 HydrophobicContact CG-CE2 4.28Å; L210-Y271 PolarHBondContact N-OH 3.37Å; L210-Y271 VanDerWaalsContact N-OH 3.17Å; W211-Y271 HydrophobicContact CB-CD2 4.25Å; W211-Y271 HydrophobicContact CB-CE2 3.92Å; W211-Y271 AromaticContact CD1-CE1 3.8Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; A267-Y271 HydrophobicContact CB-CE2 4.31Å; A267-Y271 WeakPolarHBondContact O-CD2 3.48Å; A267-Y271 VanDerWaalsContact O-CG 3.29Å; A267-Y271 PolarHBondContact O-N 3.34Å; L268-Y271 HydrophobicContact CD2-CD2 4.44Å; L268-Y271 WeakPolarHBondContact O-CB 3.37Å; L268-Y271 PolarHBondContact O-N 3.5Å; L268-Y271 VanDerWaalsContact O-N 3.09Å; R269-Y271 VanDerWaalsContact C-N 3.31Å; R269-Y271 PolarHBondContact O-N 3.27Å; Y271-G275 PolarHBondContact O-N 3.47Å; Y271-G275 VanDerWaalsContact O-N 3.14Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.45Å; Y271-I276 PolarHBondContact O-N 3.06Å; Y271-L277 HydrophobicContact CD2-CD1 3.86Å; Y271-L277 HydrophobicContact CG-CD1 4.37Å; Y271-L277 PolarHBondContact O-N 3.34Å
272Y95.3Very high95.5Very high70 Ų7069.8 Ų69.828%0.27535%0.347SS..Hα-helixtrans-64.1-55.2170.8-52-20.1000111.5L268 R269 Y270 R274 G275 L277 K279 Y287L268-Y272 VanDerWaalsContact O-CD1 3.31Å; L268-Y272 WeakPolarHBondContact O-CD1 3.47Å; L268-Y272 WeakPolarHBondContact O-CE1 3.17Å; L268-Y272 PolarHBondContact O-N 3.32Å; R269-Y272 HydrophobicContact CB-CD2 4.47Å; R269-Y272 HydrophobicContact CB-CE2 4.36Å; R269-Y272 HydrophobicContact CG-CE2 4.02Å; R269-Y272 WeakPolarHBondContact O-CB 3.41Å; R269-Y272 PolarHBondContact O-N 3.35Å; Y270-Y272 VanDerWaalsContact C-N 3.26Å; Y270-Y272 PolarHBondContact O-N 2.35Å; Y272-R274 PolarHBondContact O-N 2.7Å; Y272-G275 PolarHBondContact O-N 2.97Å; Y272-L277 VanDerWaalsContact CA-O 3.3Å; Y272-L277 WeakPolarHBondContact CA-O 3.3Å; Y272-L277 HydrophobicContact CD1-CB 4.36Å; Y272-K279 HydrophobicContact CE1-CB 4.01Å; Y272-K279 HydrophobicContact CE2-CB 3.96Å; Y272-K279 HydrophobicContact CE2-CD 4.28Å; Y272-Y287 HydrophobicContact CE1-CD1 4.15Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.29Å
273Q93.8Very high95.5Very high180 Ų18070.2 Ų70.284%0.84135%0.349SS*.Hα-helixtrans-66.3-29.3-179.2-168.3179.514.800112.1Y270 G275Y270-Q273 PolarHBondContact O-N 2.76Å; Q273-G275 VanDerWaalsContact C-N 3.27Å; Q273-G275 PolarHBondContact O-N 3.25Å
274R93.6Very high95.5Very high151 Ų15177.6 Ų77.657%0.5737%0.369SS*.THydrogen-bonded Turntrans-77-7.9172.1-69.8-176.164-172.7-2.7114.1Y270 Y272 I276Y270-R274 WeakPolarHBondContact O-CG 3.31Å; Y270-R274 PolarHBondContact O-N 3.17Å; Y272-R274 PolarHBondContact O-N 2.7Å; R274-I276 VanDerWaalsContact C-N 3.26Å; R274-I276 HydrophobicContact CB-CD1 4.13Å; R274-I276 HydrophobicContact CB-CG1 4.22Å; R274-I276 PolarHBondContact O-N 3.02Å
275G94.5Very high95.4Very high26 Ų2679.6 Ų79.627%0.26838%0.379SS..THydrogen-bonded Turntrans63.527.4-178.100000114.4Y271 Y272 Q273 K290Y271-G275 PolarHBondContact O-N 3.47Å; Y271-G275 VanDerWaalsContact O-N 3.14Å; Y272-G275 PolarHBondContact O-N 2.97Å; Q273-G275 VanDerWaalsContact C-N 3.27Å; Q273-G275 PolarHBondContact O-N 3.25Å; G275-K290 VanDerWaalsContact O-CB 3.26Å; G275-K290 WeakPolarHBondContact O-CB 3.41Å; G275-K290 WeakPolarHBondContact O-CD 3.04Å
276I94.3Very high95.4Very high38 Ų3879.6 Ų79.620%0.19538%0.379CS..SBendtrans-90.2-42.2175-64.6170.6000109.6W211 Y271 R274 K290W211-I276 HydrophobicContact CB-CG2 4.14Å; W211-I276 HydrophobicContact CD2-CG2 4.19Å; W211-I276 HydrophobicContact CG-CG2 3.94Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.45Å; Y271-I276 PolarHBondContact O-N 3.06Å; R274-I276 VanDerWaalsContact C-N 3.26Å; R274-I276 HydrophobicContact CB-CD1 4.13Å; R274-I276 HydrophobicContact CB-CG1 4.22Å; R274-I276 PolarHBondContact O-N 3.02Å; I276-K290 PolarHBondContact O-N 3Å
277L95.9Very high95.5Very high2 Ų273.5 Ų73.51%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-118.8153.9171.9-68.5173.1000109.7F238 L268 Y271 Y272 Q288 F289F238-L277 HydrophobicContact CE1-CD2 3.65Å; F238-L277 HydrophobicContact CZ-CD1 4.46Å; F238-L277 HydrophobicContact CZ-CD2 3.83Å; L268-L277 HydrophobicContact CD2-CD1 3.66Å; Y271-L277 HydrophobicContact CD2-CD1 3.86Å; Y271-L277 HydrophobicContact CG-CD1 4.37Å; Y271-L277 PolarHBondContact O-N 3.34Å; Y272-L277 VanDerWaalsContact CA-O 3.3Å; Y272-L277 WeakPolarHBondContact CA-O 3.3Å; Y272-L277 HydrophobicContact CD1-CB 4.36Å; L277-Q288 CarbonylContact C-O 3.59Å; L277-Q288 WeakPolarHBondContact CA-O 3.44Å; L277-F289 HydrophobicContact CD2-CD1 3.55Å; L277-F289 HydrophobicContact CD2-CD2 4.44Å; L277-F289 HydrophobicContact CD2-CE1 3.75Å; L277-F289 HydrophobicContact CD2-CG 3.93Å; L277-F289 HydrophobicContact CD2-CZ 4.29Å
278A96.2Very high95.5Very high35 Ų3575.1 Ų75.129%0.28936%0.359SS..EExtended strand (participates in β ladder)trans-112.8151.1160.200000109.7Y287 Q288A278-Y287 WeakPolarHBondContact O-CA 3.28Å; A278-Q288 HydrophobicContact CB-CB 4.4Å; A278-Q288 PolarHBondContact N-O 3.24Å; A278-Q288 PolarHBondContact O-N 3.36Å
279K95.4Very high95.4Very high97 Ų9775.4 Ų75.442%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-81.4131.3167.1179.4174161.5-126.60108.2Y272 E281Y272-K279 HydrophobicContact CE1-CB 4.01Å; Y272-K279 HydrophobicContact CE2-CB 3.96Å; Y272-K279 HydrophobicContact CE2-CD 4.28Å; K279-E281 VanDerWaalsContact CD-OE1 3.3Å; K279-E281 WeakPolarHBondContact CD-OE1 3.48Å; K279-E281 VanDerWaalsContact CE-OE1 3.31Å; K279-E281 WeakPolarHBondContact CE-OE1 2.97Å; K279-E281 WeakPolarHBondContact CE-OE2 2.71Å; K279-E281 IonicContact NZ-OE1 2.57Å; K279-E281 PolarHBondContact NZ-OE1 3.1Å; K279-E281 IonicContact NZ-OE2 3.48Å; K279-E281 PolarHBondContact NZ-OE2 3.27Å; K279-E281 PolarHBondContact O-N 2.73Å
280V95.8Very high95.1Very high26 Ų2677.3 Ų77.316%0.15837%0.371CS..  trans-81.2112.4167.6178.80000107.3I237 Q283 V286 Q288I237-V280 HydrophobicContact CG2-CG2 4.05Å; V280-Q283 HydrophobicContact CG1-CB 4.08Å; V280-Q283 HydrophobicContact CG1-CG 4.15Å; V280-Q283 PolarHBondContact O-N 3.48Å; V280-V286 HydrophobicContact CB-CB 4.16Å; V280-V286 HydrophobicContact CB-CG1 3.85Å; V280-V286 HydrophobicContact CG1-CG1 4.25Å; V280-V286 HydrophobicContact CG2-CG1 3.79Å; V280-V286 PolarHBondContact N-O 3.27Å; V280-Q288 HydrophobicContact CG2-CB 4.28Å
281E94.1Very high94.6Very high131 Ų13176.7 Ų76.761%0.61237%0.374SS*.THydrogen-bonded Turntrans-66.9154.6178-69-56.3149.600111.8K279 Q283K279-E281 VanDerWaalsContact CD-OE1 3.3Å; K279-E281 WeakPolarHBondContact CD-OE1 3.48Å; K279-E281 VanDerWaalsContact CE-OE1 3.31Å; K279-E281 WeakPolarHBondContact CE-OE1 2.97Å; K279-E281 WeakPolarHBondContact CE-OE2 2.71Å; K279-E281 IonicContact NZ-OE1 2.57Å; K279-E281 PolarHBondContact NZ-OE1 3.1Å; K279-E281 IonicContact NZ-OE2 3.48Å; K279-E281 PolarHBondContact NZ-OE2 3.27Å; K279-E281 PolarHBondContact O-N 2.73Å; E281-Q283 PolarHBondContact O-N 3.1Å
282G94.3Very high93.9Very high84 Ų8478.5 Ų78.587%0.86638%0.384SS*.THydrogen-bonded Turntrans72.1-28.1-170.600000115.3
283Q94.8Very high92.9Very high100 Ų10076 Ų7647%0.46738%0.376SS..  trans-104116.5-173.9-60.9-164.332.800113.7V280 E281 V286V280-Q283 HydrophobicContact CG1-CB 4.08Å; V280-Q283 HydrophobicContact CG1-CG 4.15Å; V280-Q283 PolarHBondContact O-N 3.48Å; E281-Q283 PolarHBondContact O-N 3.1Å; Q283-V286 HydrophobicContact CB-CB 3.75Å; Q283-V286 HydrophobicContact CB-CG1 4.44Å; Q283-V286 HydrophobicContact CB-CG2 3.71Å
284R95.4Very high91.4Very high230 Ų23076.7 Ų76.787%0.86838%0.376SS*.THydrogen-bonded Turntrans-70.5136.2175.2-64.6-174.1-178.8-166.51.8111.2V286R284-V286 PolarHBondContact O-N 3.1Å
285L96.2Very high89.8Confident44 Ų4474.3 Ų74.323%0.2338%0.375CS..THydrogen-bonded Turntrans61.620.8179.9-55.3177.6000114.8K239 L240 Y261 Y287K239-L285 WeakPolarHBondContact CA-O 3.38Å; L240-L285 HydrophobicContact CB-CB 4.15Å; L240-L285 PolarHBondContact N-O 3.23Å; L240-L285 WeakPolarHBondContact O-CB 3.26Å; Y261-L285 HydrophobicContact CD2-CD2 4.45Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.67Å; L285-Y287 VanDerWaalsContact O-CE2 3.25Å; L285-Y287 WeakPolarHBondContact O-CE2 3.44Å
286V96.6Very high88.6Confident1 Ų174.8 Ų74.81%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-111.1133.8176.8-174.60000110.4I237 F238 K239 V280 Q283 R284I237-V286 HydrophobicContact CG2-CG1 3.58Å; F238-V286 WeakPolarHBondContact O-CA 3.42Å; F238-V286 WeakPolarHBondContact O-CG1 3.49Å; K239-V286 HydrophobicContact CB-CG2 3.95Å; K239-V286 HydrophobicContact CD-CG2 3.8Å; K239-V286 HydrophobicContact CG-CG2 3.76Å; V280-V286 HydrophobicContact CB-CB 4.16Å; V280-V286 HydrophobicContact CB-CG1 3.85Å; V280-V286 HydrophobicContact CG1-CG1 4.25Å; V280-V286 HydrophobicContact CG2-CG1 3.79Å; V280-V286 PolarHBondContact N-O 3.27Å; Q283-V286 HydrophobicContact CB-CB 3.75Å; Q283-V286 HydrophobicContact CB-CG1 4.44Å; Q283-V286 HydrophobicContact CB-CG2 3.71Å; R284-V286 PolarHBondContact O-N 3.1Å
287Y96.8Very high87.1Confident6 Ų677.3 Ų77.32%0.02439%0.388CS..EExtended strand (participates in β ladder)trans-140.1158.7-174.6-45.6-92.2000109.3I237 F238 L240 Y261 L268 Y272 A278 L285I237-Y287 WeakPolarHBondContact CA-O 3.35Å; F238-Y287 HydrophobicContact CD2-CD2 4.35Å; F238-Y287 AromaticContact CE2-CD2 3.8Å; F238-Y287 HydrophobicContact CE2-CD2 3.8Å; F238-Y287 HydrophobicContact CE2-CG 4.25Å; F238-Y287 HydrophobicContact CZ-CD2 4.27Å; F238-Y287 HydrophobicContact CZ-CG 4.26Å; F238-Y287 PolarHBondContact N-O 2.91Å; F238-Y287 PolarHBondContact O-N 3.3Å; L240-Y287 HydrophobicContact CD1-CD2 4.02Å; L240-Y287 HydrophobicContact CD1-CE2 3.85Å; L240-Y287 HydrophobicContact CD2-CE2 4.47Å; Y261-Y287 PolarHBondContact OH-OH 3.11Å; L268-Y287 HydrophobicContact CB-CE1 4.43Å; L268-Y287 HydrophobicContact CD1-CE1 3.93Å; L268-Y287 HydrophobicContact CD1-CE2 4.32Å; Y272-Y287 HydrophobicContact CE1-CD1 4.15Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.29Å; A278-Y287 WeakPolarHBondContact O-CA 3.28Å; L285-Y287 VanDerWaalsContact O-CE2 3.25Å; L285-Y287 WeakPolarHBondContact O-CE2 3.44Å
288Q95.9Very high85.3Confident63 Ų6382.5 Ų82.529%0.29442%0.42SS..EExtended strand (participates in β ladder)trans-127.7132.2179.2-175.9175.118.300110.3K235 G236 I237 L277 A278 V280 K290K235-Q288 VanDerWaalsContact O-CG 3.31Å; K235-Q288 WeakPolarHBondContact O-CG 3.24Å; K235-Q288 PolarHBondContact O-NE2 3.04Å; G236-Q288 CarbonylContact O-C 3.55Å; G236-Q288 WeakPolarHBondContact O-CA 3.4Å; I237-Q288 HydrophobicContact CG1-CB 4.01Å; I237-Q288 HydrophobicContact CG1-CG 3.69Å; L277-Q288 CarbonylContact C-O 3.59Å; L277-Q288 WeakPolarHBondContact CA-O 3.44Å; A278-Q288 HydrophobicContact CB-CB 4.4Å; A278-Q288 PolarHBondContact N-O 3.24Å; A278-Q288 PolarHBondContact O-N 3.36Å; V280-Q288 HydrophobicContact CG2-CB 4.28Å; Q288-K290 PolarHBondContact O-N 3.49Å
289F95.3Very high83.6Confident6 Ų682 Ų823%0.02641%0.412CS..EExtended strand (participates in β ladder)trans-69.9124.3165.3-72.3-78.4000109.7W211 L215 L218 W230 G236 F238 L277W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; L215-F289 HydrophobicContact CB-CZ 4.2Å; L215-F289 HydrophobicContact CD1-CE2 4.15Å; L215-F289 HydrophobicContact CD1-CZ 4.21Å; L218-F289 HydrophobicContact CD1-CE2 4.18Å; W230-F289 AromaticContact CH2-CD2 3.9Å; W230-F289 HydrophobicContact CH2-CD2 3.9Å; W230-F289 AromaticContact CH2-CE2 3.82Å; W230-F289 HydrophobicContact CH2-CE2 3.82Å; W230-F289 HydrophobicContact CZ3-CD2 4.05Å; W230-F289 HydrophobicContact CZ3-CE2 4.24Å; G236-F289 PolarHBondContact O-N 3.24Å; F238-F289 AromaticContact CD1-CD2 3.69Å; F238-F289 HydrophobicContact CD1-CD2 3.69Å; F238-F289 AromaticContact CD1-CE2 3.52Å; F238-F289 HydrophobicContact CD1-CE2 3.52Å; F238-F289 HydrophobicContact CD1-CZ 4.46Å; F238-F289 AromaticContact CE1-CD2 3.5Å; F238-F289 HydrophobicContact CE1-CD2 3.5Å; F238-F289 VanDerWaalsContact CE1-CD2 3.5Å; F238-F289 HydrophobicContact CE1-CE1 4.49Å; F238-F289 AromaticContact CE1-CE2 3.24Å; F238-F289 HydrophobicContact CE1-CE2 3.24Å; F238-F289 HydrophobicContact CE1-CG 4.24Å; F238-F289 AromaticContact CE1-CZ 3.8Å; F238-F289 HydrophobicContact CE1-CZ 3.8Å; F238-F289 HydrophobicContact CZ-CE2 4.08Å; F238-F289 HydrophobicContact CZ-CZ 4.25Å; L277-F289 HydrophobicContact CD2-CD1 3.55Å; L277-F289 HydrophobicContact CD2-CD2 4.44Å; L277-F289 HydrophobicContact CD2-CE1 3.75Å; L277-F289 HydrophobicContact CD2-CG 3.93Å; L277-F289 HydrophobicContact CD2-CZ 4.29Å
290K89.8Confident81.7Confident161 Ų16182.7 Ų82.770%0.742%0.42SS*.SBendtrans-71.8-34.8-177.3-165.1-166177.7-171.50112.1G275 I276 Q288G275-K290 VanDerWaalsContact O-CB 3.26Å; G275-K290 WeakPolarHBondContact O-CB 3.41Å; G275-K290 WeakPolarHBondContact O-CD 3.04Å; I276-K290 PolarHBondContact O-N 3Å; Q288-K290 PolarHBondContact O-N 3.49Å
291E86.6Confident79.9Confident144 Ų14487.7 Ų87.767%0.67345%0.446SS*.SBendtrans-118.6124.8165.3-178.9176-175.800106.8P293E291-P293 WeakPolarHBondContact O-CD 3.06Å
292M82Confident78Confident53 Ų5388.3 Ų88.326%0.26145%0.453SS..  trans-76.2119.4179.4-172.362.1172.800109.6W230 R233 G236 K294 I296W230-M292 HydrophobicContact CH2-CE 3.66Å; W230-M292 HydrophobicContact CH2-SD 4.15Å; W230-M292 HydrophobicContact CZ2-CE 4.11Å; W230-M292 HydrophobicContact CZ3-CE 3.97Å; W230-M292 HydrophobicContact CZ3-SD 4.32Å; R233-M292 HydrophobicContact CG-CE 4.42Å; R233-M292 WeakPolarHBondContact O-CE 3.44Å; G236-M292 VanDerWaalsContact CA-SD 3.56Å; M292-K294 PolarHBondContact O-N 2.95Å; M292-I296 HydrophobicContact CE-CD1 3.56Å; M292-I296 HydrophobicContact CE-CG2 4.17Å
293P74.1Confident75.8Confident19 Ų1991.7 Ų91.712%0.12344%0.444CS..  trans-63.9125.2-177.2-25.337.6000111.8W211 L215 E291 N295 I296W211-P293 HydrophobicContact CZ3-CG 4.37Å; L215-P293 HydrophobicContact CD1-CB 4.44Å; L215-P293 HydrophobicContact CD1-CG 4.05Å; L215-P293 HydrophobicContact CD2-CB 3.68Å; L215-P293 HydrophobicContact CD2-CG 3.82Å; E291-P293 WeakPolarHBondContact O-CD 3.06Å; P293-N295 PolarHBondContact O-N 3.23Å; P293-I296 PolarHBondContact O-N 3.46Å
294K62.2Low73.4Confident193 Ų19392.4 Ų92.484%0.83946%0.461SS*.THydrogen-bonded Turntrans-68.8-3.3-170.4-60.1175.4-174.61720114.5M292M292-K294 PolarHBondContact O-N 2.95Å
295N59.7Low70.7Confident102 Ų10288.1 Ų88.155%0.54545%0.45SS..THydrogen-bonded Turntrans-10110.2-177.366.5-89.2000113.9Q219 P293 V297Q219-N295 PolarHBondContact OE1-O 3.46Å; P293-N295 PolarHBondContact O-N 3.23Å; N295-V297 PolarHBondContact O-N 3.3Å
296I68.2Low67.8Low35 Ų3590.5 Ų90.518%0.17947%0.471CS..  trans-64.3120.7176.4-169170.7000109.9Q219 W230 R233 M292 P293 V298Q219-I296 HydrophobicContact CG-CG1 4.07Å; W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.44Å; W230-I296 VanDerWaalsContact CZ2-CD1 3.44Å; R233-I296 HydrophobicContact CG-CD1 4.37Å; M292-I296 HydrophobicContact CE-CD1 3.56Å; M292-I296 HydrophobicContact CE-CG2 4.17Å; P293-I296 PolarHBondContact O-N 3.46Å; I296-V298 PolarHBondContact O-N 3.24Å
297V64.1Low64.7Low92 Ų9296.4 Ų96.456%0.55851%0.51SS*.  trans-66.5119.7171.8-179.10000108N295 I299N295-V297 PolarHBondContact O-N 3.3Å; V297-I299 HydrophobicContact CG1-CG1 4.3Å; V297-I299 PolarHBondContact O-N 3.47Å
298V57.3Low61.9Low111 Ų111102.7 Ų102.767%0.67355%0.545SS*.  trans-67.6101.8175.41800000108.3I296I296-V298 PolarHBondContact O-N 3.24Å
299I61.2Low59.4Low25 Ų25109.1 Ų109.113%0.12857%0.574CS.*  trans-95.2100.1172.4-77.2165.4000106.2Q219 K221 R233 V297 D301Q219-I299 WeakPolarHBondContact O-CD1 3.4Å; K221-I299 HydrophobicContact CD-CG2 3.99Å; K221-I299 HydrophobicContact CG-CD1 3.83Å; K221-I299 HydrophobicContact CG-CG1 4.35Å; K221-I299 HydrophobicContact CG-CG2 3.93Å; R233-I299 VanDerWaalsContact CZ-O 3.23Å; R233-I299 PolarHBondContact NH1-O 2.79Å; R233-I299 PolarHBondContact NH2-O 3.35Å; V297-I299 HydrophobicContact CG1-CG1 4.3Å; V297-I299 PolarHBondContact O-N 3.47Å; I299-D301 PolarHBondContact O-N 3.45Å
300D55Low56.7Low111 Ų111115.3 Ų115.359%0.59461%0.608SS**  trans-58.2130.9160.5-88.8-160.2000108.4K221 D302K221-D300 PolarHBondContact NZ-O 2.97Å; D300-D302 VanDerWaalsContact C-N 3.34Å
301D58Low54.4Low130 Ų130114.7 Ų114.770%0.69561%0.611SS**  trans-101.711.5173.6-122.2-113.4000110.1I299I299-D301 PolarHBondContact O-N 3.45Å
302D54.1Low51.9Low144 Ų144112.9 Ų112.977%0.7762%0.615SS**  trans-70.3146.1176.1-126.2-62.2000110.8D300D300-D302 VanDerWaalsContact C-N 3.34Å
303K49.4Very low50Low155 Ų155117.9 Ų117.967%0.67464%0.64SS**  trans63.367.4-171.5-158.2173.3-178.4-176.60115.6E305K303-E305 HydrophobicContact CD-CG 4.33Å; K303-E305 WeakPolarHBondContact CE-OE1 3.45Å; K303-E305 HydrophobicContact CG-CG 3.85Å; K303-E305 IonicContact NZ-OE1 2.69Å; K303-E305 PolarHBondContact NZ-OE1 3.28Å
304S43.9Very low48.5Very low116 Ų116122.7 Ų122.781%0.81167%0.67SS**  trans-87.9129.2131.250.20000107.9S306S304-S306 PolarHBondContact O-N 3.03Å
305E39.2Very low47.2Very low140 Ų140118.5 Ų118.565%0.65466%0.661SS**  trans-79.2123.3-166.5-71.3176.5127.900111.8K303 C307K303-E305 HydrophobicContact CD-CG 4.33Å; K303-E305 WeakPolarHBondContact CE-OE1 3.45Å; K303-E305 HydrophobicContact CG-CG 3.85Å; K303-E305 IonicContact NZ-OE1 2.69Å; K303-E305 PolarHBondContact NZ-OE1 3.28Å; E305-C307 PolarHBondContact O-N 3.17Å
306S35.2Very low45.9Very low94 Ų94120.5 Ų120.566%0.65767%0.672SS**  trans-73.6105.3166.5-176.50000108.3S304 N308S304-S306 PolarHBondContact O-N 3.03Å; S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 WeakPolarHBondContact CB-ND2 3.4Å; S306-N308 PolarHBondContact O-N 3.49Å; S306-N308 PolarHBondContact O-ND2 3.01Å; S306-N308 PolarHBondContact OG-ND2 3.11Å
307C30.8Very low44.3Very low124 Ų124125.6 Ų125.684%0.83870%0.695SS**  trans-68.483.1176.3-58.20000110.2E305 E309E305-C307 PolarHBondContact O-N 3.17Å; C307-E309 PolarHBondContact O-N 3.04Å
308N37.3Very low43Very low139 Ų139128.5 Ų128.574%0.74370%0.7SS**  trans-85.297.3170.9-66.2-94.8000107.2S306S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 WeakPolarHBondContact CB-ND2 3.4Å; S306-N308 PolarHBondContact O-N 3.49Å; S306-N308 PolarHBondContact O-ND2 3.01Å; S306-N308 PolarHBondContact OG-ND2 3.11Å
309E43.5Very low41.8Very low197 Ų197128 Ų12892%0.92170%0.702SS**  trans-92.6121.4164.6-157.3164.8126.400108.8C307C307-E309 PolarHBondContact O-N 3.04Å
310D38.1Very low40.4Very low136 Ų136134.1 Ų134.173%0.72773%0.734SS**  trans-60.7135.5-170.5-148.6-46000112.7
311L41.6Very low39.1Very low148 Ų148134.9 Ų134.978%0.77573%0.734SS**  167146115.3-87.4166.4000116
312S36Very low37.8Very low106 Ų106137.5 Ų137.574%0.74173%0.734SS**  trans65.6106.8156.359.70000120.8
313M40.8Very low36.6Very low159 Ų159136.4 Ų136.478%0.78373%0.732SS**  trans-70.8157.5136.8-74.9-76.1-64.700109.9
314P42.1Very low35.6Very low119 Ų119133.8 Ų133.877%0.77373%0.733SS**  -132.3-177.2108.938.3-30.5000114.2
315T35.8Very low34.7Very low106 Ų106136.4 Ų136.465%0.6574%0.737SS**  trans-97.5176.8-169.649.90000114.9
316D33.3Very low34.1Very low143 Ų143134.9 Ų134.977%0.76574%0.742SS**  trans72.2151.7160.5-63.1-66.8000117.6
317E33.9Very low33.8Very low142 Ų142134.2 Ų134.266%0.66474%0.742SS**  cis-148.8-163.3-27.8-144.9-151.1-173.600109.6
318K35.7Very low33.8Very low153 Ų153136.4 Ų136.467%0.66574%0.74SS**  trans-46171.4-175.5-76.2102.4155.1-173.10118.2
319S32Very low33.5Very low101 Ų101136 Ų13671%0.70674%0.738SS**  trans89.2117.1151.4-62.40000114.4
320L32.4Very low32.9Very low153 Ų153133.7 Ų133.780%0.80173%0.732SS**  81.3119.161.9-75.5169.2000113.6
321E28.2Very low32.9Very low128 Ų128134.1 Ų134.160%0.59873%0.733SS**  trans77.6127.6141.7-72.3-15811300123.1
322R30.7Very low32.5Very low184 Ų184137 Ų13769%0.69474%0.739SS**  trans83.5115.8140.2-73.1-177.1-156.698.54.9121.7
323V28Very low32.1Very low121 Ų121135.9 Ų135.973%0.73374%0.736SS**  72.699.9122.6-178.80000118.5
324S28Very low31.7Very low100 Ų100132.6 Ų132.670%0.69974%0.735SS**  15.5137.6124.5-42.10000120.2
325L26.5Very low31.4Very low171 Ų171133.2 Ų133.290%0.89574%0.736SS**  171.7165.3102.3-91.2176.8000113.8
326S25.3Very low31.1Very low108 Ų108133.3 Ų133.376%0.75574%0.741SS**  trans75.193.2150.9-159.30000121.1
327A30.7Very low31.3Very low80 Ų80130.3 Ų130.366%0.66174%0.737SS**  38.4130.5115.400000122.4
328E29.8Very low31.3Very low171 Ų171135.5 Ų135.580%0.79975%0.75SS**  trans52.1122.6144.8-57.4-171.8106.400121.4
329N30.1Very low30.9Very low130 Ų130132 Ų13270%0.69576%0.757SS**  175.3167.4100.6-100.5-76.9000115.2
330L31.2Very low30.7Very low149 Ų149130.9 Ų130.978%0.7876%0.762SS**  trans64.3114.6163.2-67146.4000117.7
331L38Very low30.8Very low144 Ų144133.2 Ų133.275%0.75477%0.765SS**  cis88.59234.8-61166.1000116.8
332K33.3Very low30.8Very low209 Ų209133.7 Ų133.791%0.90977%0.772SS**  trans179.1150.4137.3-11882.1172.3-170.70108.8
333A28.4Very low30.7Very low82 Ų82130.4 Ų130.468%0.67878%0.777SS**  cis-144.7148-11.800000107.9
334A31.5Very low30.8Very low91 Ų91129.8 Ų129.875%0.75278%0.779SS**  48.2135.5104.200000115.8
335T36.7Very low30.7Very low131 Ų131133.3 Ų133.380%0.80478%0.784SS**  cis-149.9151.837.850.80000115.5
336S29.9Very low30.8Very low109 Ų109131.9 Ų131.976%0.76278%0.776SS**  trans47.9118.9152.5-1410000119.6
337A37.1Very low30.7Very low80 Ų80131.6 Ų131.666%0.66177%0.774SS**  cis68.7143.338.100000113.9
338R34.7Very low30.5Very low251 Ų251133.6 Ų133.695%0.94778%0.782SS**  cis-163.21605.7-144.9179.2-170-164.15.2111.7
339G27.2Very low30.2Very low79 Ų79131.7 Ų131.781%0.81478%0.782SS**  trans109.6133.2161.600000114.5
340G28Very low30.1Very low78 Ų78135 Ų13580%0.80479%0.785SS**  cis-160.8173.5-0.700000113.5
341K34Very low29.9Very low201 Ų201132.2 Ų132.287%0.87477%0.774SS**  trans-84.4178.1171.3-54.2178.1179.7-178.30108.8
342N27.9Very low29.3Very low138 Ų138131.6 Ų131.674%0.73877%0.768SS**  cis-162.7153.92.324.9-86.4000110.4
343S28.9Very low29.1Very low116 Ų116129.4 Ų129.481%0.81176%0.758SS**  trans28.6110143.41790000121.6
344S29.5Very low29Very low108 Ų108131.6 Ų131.676%0.75576%0.764SS**  trans-167.3122.6130.1520000109
345Q25.2Very low28.9Very low173 Ų173134.2 Ų134.281%0.80877%0.77SS**  79.9133.770-139.8-165.312.100114.4
346L30Very low28.5Very low141 Ų141133.1 Ų133.174%0.73876%0.763SS**  trans82.2119.6161.5-55.2178.9000122.1
347S23.5Very low28.5Very low102 Ų102139.8 Ų139.871%0.71377%0.771SS**  trans57.1104.3134.764.60000122.9
348C25.2Very low28.1Very low123 Ų123141.4 Ų141.483%0.83177%0.773SS**  21.2122.9120.4-173.30000120
349T25Very low27.7Very low130 Ų130136.2 Ų136.280%0.79877%0.768SS**  trans-179.1156146.2210000108
350R27.9Very low27.8Very low199 Ų199138.6 Ų138.675%0.75176%0.763SS**  cis-168.1146.5-14.4-164.6-170.7119.7174.86.1109.3
351T25.7Very low27.8Very low91 Ų91141.9 Ų141.956%0.55876%0.76SS**  trans58128152.442.40000123.1
352E26.2Very low27.5Very low132 Ų132136.5 Ų136.562%0.61775%0.753SS**  115.9151.6111.8-98.5172.8-130.500123.4
353K29.7Very low27.7Very low162 Ų162135.4 Ų135.470%0.70476%0.757SS**  trans73.9114.4166-64.9154.4-178.791.50115.3
354T25.1Very low28.4Very low129 Ų129136 Ų13679%0.79176%0.757SS**  cis76.7104.747.1-54.30000113.8
355V29.8Very low28.4Very low145 Ų145136.3 Ų136.388%0.87976%0.755SS**  trans-148.7148.6137.8160.50000108
356T28.6Very low28.7Very low108 Ų108137.3 Ų137.366%0.66376%0.759SS**  trans-103164.9-177510000113.4
357R30.2Very low28.6Very low250 Ų250137 Ų13794%0.94376%0.758SS**  trans-161.8153.8132.2-104.3158.5-157.4-144.43.1111.5
358V27.8Very low29Very low114 Ų114138 Ų13869%0.69176%0.76SS**  trans-149.4135.1-159.4170.10000111.2N360V358-N360 HydrophobicContact CG1-CB 3.91Å
359V27Very low29.1Very low141 Ų141137.6 Ų137.686%0.85576%0.758SS**  trans-158.7118145.5178.10000104.9
360N27.7Very low29.2Very low129 Ų129136.6 Ų136.669%0.6976%0.757SS**  cis94147.217.8-157.339.8000116.4V358V358-N360 HydrophobicContact CG1-CB 3.91Å
361I29Very low29.2Very low148 Ų148133 Ų13376%0.75976%0.762SS**  trans83.3130.6173.4-50.9172.6000115.4
362A28.4Very low29.4Very low88 Ų88139.7 Ų139.773%0.72778%0.777SS**  cis-166.9160.6-24.100000109.9
363S30.8Very low29.9Very low115 Ų115138.8 Ų138.880%0.80478%0.783SS**  trans-92.2164.4160.9-50.60000110.9
364P43.3Very low30Very low128 Ų128135.2 Ų135.283%0.83178%0.778SS**  trans-130.6163.4134.137.1-28.4000113.8
365V30.4Very low30.1Very low115 Ų115135.3 Ų135.370%0.69778%0.779SS**  trans-99.3155.4176.2174.20000109.1
366H31.3Very low30.1Very low194 Ų194134.5 Ų134.590%0.89877%0.774SS**  trans-170.5165.1140.7-99.3-56.1000112.6
367D27.7Very low29.9Very low133 Ų133135.3 Ų135.371%0.71178%0.779SS**  trans-118.4169.5-161.8-89.3-67.5000114.6
368T31.3Very low29.8Very low124 Ų124129.3 Ų129.376%0.76177%0.771SS**  trans67.6108.1154.746.30000121.9
369S27.7Very low29.7Very low114 Ų114130.5 Ų130.580%0.79778%0.778SS**  87135.2124.478.50000123.4
370S28.1Very low29.8Very low109 Ų109130 Ų13076%0.76278%0.776SS**  trans83.5126.2143.8-151.40000123.2
371S28Very low30.2Very low123 Ų123129.9 Ų129.986%0.8678%0.782SS**  trans83.3164.615079.30000120.8
372R29.3Very low30.2Very low232 Ų232127.9 Ų127.988%0.87579%0.787SS**  trans-120.1163.4-158.3-140.3-179156.9-166.1-3.9108.8
373P37.8Very low30.3Very low114 Ų114129.3 Ų129.374%0.7479%0.792SS**  -149.817075.639.3-19.5000117.2
374S30.1Very low30.3Very low87 Ų87130.6 Ų130.661%0.60880%0.795SS**  trans14.3134.8155.555.40000121.9
375T28.4Very low29.6Very low131 Ų131128.5 Ų128.580%0.80479%0.788SS**  cis-144.1-118.98.4-1.80000113.6
376T28.7Very low29.8Very low127 Ų127129.2 Ų129.278%0.77980%0.795SS**  cis-159162.51.1-450000112
377T25.7Very low29.8Very low125 Ų125131.5 Ų131.577%0.76780%0.796SS**  trans-82136.3-161.4-46.50000117.7
378T26.8Very low29.9Very low125 Ų125132 Ų13277%0.76780%0.804SS**  173131114.7-66.40000111.5
379T26.7Very low29.7Very low139 Ų139132.4 Ų132.485%0.85381%0.806SS**  trans-141149-177.3-48.70000112
380V28.5Very low29.9Very low131 Ų131138.7 Ų138.779%0.79481%0.812SS**  trans-131.2136.1173.7-138.30000108.8
381P35.6Very low30Very low126 Ų126139.8 Ų139.882%0.81881%0.814SS**  trans-87.9150.2-170.233.4-35.8000114.3
382A29.9Very low30.1Very low105 Ų105138.4 Ų138.487%0.86881%0.81SS**  trans-124.2150.4166.700000109.9
383S29.4Very low30.2Very low119 Ų119135.1 Ų135.183%0.83281%0.807SS**  trans-125.9137.5-176.7178.60000110.9
384T32.4Very low30Very low142 Ų142138.4 Ų138.487%0.87181%0.812SS**  trans-147.6137.9174.9-59.20000108.4
385A27.6Very low30.2Very low84 Ų84140 Ų14069%0.69482%0.818SS**  trans-136.5138.3-178.700000111.5
386P34.2Very low30.4Very low130 Ų130139.1 Ų139.184%0.84482%0.815SS**  trans-80.5167.6-177.333.7-36.2000113.1
387R31.7Very low30.8Very low242 Ų242139.1 Ų139.191%0.91381%0.814SS**  trans-134.6133.1170.2-73.3-177.6174.1145.6-0.1110.6
388T29.5Very low31.3Very low143 Ų143139 Ų13988%0.87781%0.813SS**  trans-96.5154.4172.647.30000111.3
389V28.4Very low31.7Very low132 Ų132141.3 Ų141.380%0.882%0.817SS**  trans-125.8132178.6178.40000108.4
390R32.1Very low32.8Very low247 Ų247140.2 Ų140.293%0.93281%0.81SS**  trans-104.6132.8170-69.1-172.9178.8-174.2-0.2109.6
391V28.3Very low33.4Very low131 Ų131139.5 Ų139.579%0.79481%0.811SS**  trans-102.1133.9169.2178.70000108
392A31.3Very low33.5Very low95 Ų95141.3 Ų141.379%0.78581%0.813SS**  trans-115.6114.7169.500000108.4
393M31.5Very low34.5Very low162 Ų162140 Ų14080%0.79881%0.81SS**  trans-81.8132.6171.7-76.7172.456.200109.9
394Q34Very low34.8Very low184 Ų184141.9 Ų141.986%0.8681%0.806SS**  trans-134123.2161.5-70.2-174.5-1300107.4
395V32.8Very low34.8Very low119 Ų119143.2 Ų143.272%0.72180%0.799SS**PPolyproline II helixtrans-103.7116.7179.9179.10000108.1V397V395-V397 PolarHBondContact O-N 3.18Å
396P34.3Very low35.7Very low114 Ų114147.5 Ų147.574%0.7481%0.809SS**PPolyproline II helixtrans-73.6118.1173.5-14.329.9000110.3
397V37.1Very low35.3Very low126 Ų126146.6 Ų146.676%0.76481%0.805SS**PPolyproline II helixtrans-76.5131.3164.9177.10000108.4V395V395-V397 PolarHBondContact O-N 3.18Å
398V35.2Very low35.5Very low124 Ų124140.9 Ų140.975%0.75280%0.797SS**  trans-90.4106.5177.4-1780000109.4T400V398-T400 HydrophobicContact CG1-CG2 4.39Å
399M35.5Very low35.3Very low172 Ų172140.3 Ų140.385%0.84779%0.793SS**  trans-82.3131.7165.3-73.2-73.1-72.700109.5
400T49.3Very low35.7Very low116 Ų116137.9 Ų137.971%0.71279%0.787SS**  trans-105.9163.9177.949.90000112.8V398V398-T400 HydrophobicContact CG1-CG2 4.39Å
401S41.1Very low35.3Very low116 Ų116132.5 Ų132.581%0.81178%0.782SS**  trans91129.4163.580.60000119.3
402L38.7Very low35.1Very low164 Ų164134 Ų13486%0.85978%0.78SS**  trans41120.2142.1-153.360.3000119.7
403G49.5Very low35Very low77 Ų77135.2 Ų135.279%0.79478%0.782SS**  trans-63.1137.3-172.200000114.9
404Q35.5Very low34.9Very low160 Ų160133.8 Ų133.875%0.74878%0.782SS**  trans-125.6148.7166.1-68.2-151.928.300112.3
405K33.3Very low34.8Very low169 Ų169132.2 Ų132.274%0.73578%0.78SS**  trans-34.1149166.361.3-157.9178-730115.7S407K405-S407 PolarHBondContact O-N 2.57Å
406I46.4Very low34.5Very low175 Ų175131.1 Ų131.190%0.89778%0.783SS**  trans-50.2130.6179.6-54160.9000111.7
407S25.7Very low34.1Very low110 Ų110129.2 Ų129.277%0.76979%0.785SS**  trans-148.5153.8149.2-165.70000109.9K405K405-S407 PolarHBondContact O-N 2.57Å
408T36.2Very low33.7Very low122 Ų122129.2 Ų129.275%0.74879%0.79SS**  trans-92.9143178.8-168.90000110.8
409V24.4Very low34.2Very low131 Ų131129.1 Ų129.179%0.79479%0.792SS**  trans-131.998.4163.3-177.70000107.7
410A36.9Very low33.7Very low81 Ų81128 Ų12867%0.66979%0.789SS**  trans-80.4130163.400000108.5
411V23.7Very low33.1Very low135 Ų135130.6 Ų130.682%0.81880%0.797SS**  trans-95.9100.8165.5-174.10000107.2
412Q25.8Very low32.4Very low163 Ų163130.7 Ų130.776%0.76279%0.793SS**PPolyproline II helixtrans-70132.1169.2-66.8177.7-2.500108.9
413S28.1Very low32.1Very low119 Ų119130.3 Ų130.383%0.83279%0.791SS**PPolyproline II helixtrans-71.9135.6153.4-174.70000107.5
414V29.1Very low31.1Very low132 Ų132133 Ų13380%0.879%0.793SS**PPolyproline II helixtrans-69.4152.4-173-70.70000113.6
415N32Very low30.9Very low151 Ų151130.6 Ų130.681%0.80779%0.794SS**PPolyproline II helixtrans-46.1163173-79.31.9000115.7
416A27Very low31.4Very low96 Ų96127.9 Ų127.979%0.79379%0.793SS**  cis-169.2151.2-20.800000109.7
417G25.2Very low30.8Very low75 Ų75125.4 Ų125.477%0.77379%0.786SS**  trans-154.2119165.400000108.8
418S29.9Very low31.1Very low125 Ų125127 Ų12787%0.87479%0.791SS**  trans-71.3155.2-176.4-104.90000112.3
419P44.1Very low30.8Very low123 Ų123126 Ų12680%0.79980%0.796SS**  trans-77.8144.5-164.731.3-36.2000112.9
420L25.1Very low31.3Very low148 Ų148126.2 Ų126.278%0.77580%0.797SS**  trans-136.1122.3157.9-169.663.5000111.4T422L420-T422 HydrophobicContact CD2-CG2 4.22Å; L420-T422 HydrophobicContact CG-CG2 4.26Å
421I36.9Very low31Very low170 Ų170126.9 Ų126.987%0.87279%0.794SS**  trans-80.7111.1169.732.9169.8000109.4
422T26.1Very low31.5Very low119 Ų119125.8 Ų125.873%0.7379%0.789SS**  trans-135.8152.9165.147.30000110.5L420L420-T422 HydrophobicContact CD2-CG2 4.22Å; L420-T422 HydrophobicContact CG-CG2 4.26Å
423N33.5Very low31.6Very low155 Ų155126.2 Ų126.283%0.82979%0.789SS**  trans-111.2106.4-164.1174.482.1000111.5
424T29Very low32Very low134 Ų134125.5 Ų125.582%0.82278%0.779SS**  trans-141.9141.7166.245.60000111.5
425S30.9Very low32.1Very low110 Ų110124.5 Ų124.577%0.76977%0.773SS**  trans-97.3166.9166-52.30000108.9
426P42.8Very low32.3Very low112 Ų112123.2 Ų123.273%0.72776%0.764SS**  cis-136.4-172.95.743.4-26.1000115.4
427T35.4Very low32.5Very low122 Ų122127 Ų12775%0.74877%0.766SS**  trans64.780.7151.1-45.20000119.5
428T31.1Very low33Very low143 Ų143127.5 Ų127.588%0.87775%0.754SS**  -170.9136115.818.80000110.3
429A29.8Very low33.1Very low101 Ų101128.9 Ų128.984%0.83575%0.75SS**  trans-107.797.1-167.300000113.8
430T34.2Very low32.5Very low136 Ų136126.4 Ų126.483%0.83473%0.734SS**  trans-106.5108.5160.450.80000110
431T30.8Very low33.1Very low96 Ų96124.1 Ų124.159%0.58973%0.727SS**  trans-72.7132.1-176.2530000112.4
432P34.2Very low33.2Very low111 Ų111120.5 Ų120.572%0.72171%0.712SS**  trans-66.4140.5173.228.5-34.2000110.9
433K29.1Very low33.7Very low173 Ų173122 Ų12275%0.75271%0.713SS**  trans-112.2117.4174.7-69.9177.7-178.9172.30109.3
434V35.1Very low33.9Very low104 Ų104120.4 Ų120.463%0.6371%0.71SS**  trans-85.6129.4171.1-1790000108.7I436V434-I436 HydrophobicContact CG1-CG1 4.26Å
435V32Very low34.1Very low111 Ų111120.1 Ų120.167%0.67371%0.709SS**  trans-116119.1175.61800000108.1
436I37Very low34.5Very low123 Ų123121.2 Ų121.263%0.63172%0.717SS**  trans-100.7111.6177-57.3178.2000108.1V434V434-I436 HydrophobicContact CG1-CG1 4.26Å
437Q30.6Very low34.3Very low175 Ų175119.5 Ų119.582%0.81871%0.712SS**  trans-99.5115.6-178.3-171.3174.34.600110.1
438T36.2Very low34.8Very low87 Ų87122.6 Ų122.653%0.53472%0.718SS.*PPolyproline II helixtrans-89.4126.8176.746.40000110.9
439I32.2Very low35.6Very low153 Ų153123.2 Ų123.279%0.78572%0.716SS**PPolyproline II helixtrans-83.1130.4179.2-56.8175000109.1T441I439-T441 PolarHBondContact O-N 3.2Å
440P31.3Very low36.2Very low71 Ų71121.7 Ų121.746%0.46171%0.71SS.*PPolyproline II helixtrans-61.5128.9174.6-21.733.1000111.8M455P440-M455 HydrophobicContact CB-CE 4.16Å; P440-M455 HydrophobicContact CG-CE 4.45Å
441T37.2Very low36.7Very low101 Ų101123.5 Ų123.562%0.6271%0.714SS**PPolyproline II helixtrans-94.2120162.3-70.20000108.4I439 M443I439-T441 PolarHBondContact O-N 3.2Å; T441-M443 HydrophobicContact CG2-CG 4.46Å
442V37.9Very low37.2Very low94 Ų94127 Ų12757%0.5772%0.721SS**PPolyproline II helixtrans-85.3141.6167.7-67.50000109.5M455V442-M455 HydrophobicContact CG1-CE 4.37Å
443M36.8Very low37.7Very low150 Ų150128.7 Ų128.774%0.73972%0.723SS**  trans-128.5122.7173-82.6-87.589.800108.3T441 T445T441-M443 HydrophobicContact CG2-CG 4.46Å; M443-T445 PolarHBondContact O-N 3.03Å
444P37.9Very low38.3Very low121 Ų121125.1 Ų125.179%0.78672%0.716SS**  trans-78.1118.5170.731-30.4000109.3
445T33Very low38.3Very low128 Ų128126.1 Ų126.179%0.78572%0.715SS**  trans-96109.4167.949.70000108.5M443 A447M443-T445 PolarHBondContact O-N 3.03Å; T445-A447 PolarHBondContact O-N 3.05Å; T445-A447 VanDerWaalsContact O-N 3.14Å
446S39.5Very low38.7Very low134 Ų134128.9 Ų128.994%0.93772%0.721SS**  trans-66.1113.2172.4-171.20000109.4
447A39.9Very low38.6Very low76 Ų76129 Ų12963%0.62873%0.73SS**  trans-129.3140.1167.100000107.2T445T445-A447 PolarHBondContact O-N 3.05Å; T445-A447 VanDerWaalsContact O-N 3.14Å
448E45.2Very low39Very low186 Ų186123.3 Ų123.387%0.86971%0.713SS**SBendtrans-62.3137177.2-163.2180119.600110.2
449N47.8Very low39Very low157 Ų157128 Ų12884%0.8473%0.725SS**SBendtrans64.788.5-172.7-67.9-54000117.3
450G41.8Very low39.2Very low69 Ų69126.9 Ų126.971%0.71172%0.72SS**  trans110.6116.2144.500000116.9K452G450-K452 PolarHBondContact O-N 3.33Å
451D44.9Very low39.5Very low173 Ų173129.5 Ų129.593%0.92573%0.729SS**  trans-64.797.7176-89.1-47.4000112.7
452K42.5Very low39.4Very low169 Ų169130.2 Ų130.274%0.73573%0.733SS**  trans-115.379.7175.3-169.9171.8172.4-68.70111.8G450 T454G450-K452 PolarHBondContact O-N 3.33Å; K452-T454 HydrophobicContact CG-CG2 4.49Å; K452-T454 PolarHBondContact O-N 2.97Å
453I43Very low39.5Very low147 Ų147130.7 Ų130.775%0.75473%0.731SS**  trans-60.2107.9175.8-56.4174.7000110.3
454T42Very low39.6Very low98 Ų98127.2 Ų127.260%0.60172%0.72SS**  trans-100.2101.3173.654.60000111.3K452K452-T454 HydrophobicContact CG-CG2 4.49Å; K452-T454 PolarHBondContact O-N 2.97Å
455M35.1Very low39.8Very low126 Ų126123 Ų12362%0.62170%0.696SS**PPolyproline II helixtrans-76.9129.6166-68-152.275.100110.7P440 V442P440-M455 HydrophobicContact CB-CE 4.16Å; P440-M455 HydrophobicContact CG-CE 4.45Å; V442-M455 HydrophobicContact CG1-CE 4.37Å
456Q40.1Very low40.4Very low168 Ų168122.8 Ų122.879%0.78569%0.694SS**PPolyproline II helixtrans-89.5134.6167.1-66.1-158.49.100110.6
457P36.1Very low40.4Very low127 Ų127121.7 Ų121.783%0.82567%0.674SS**PPolyproline II helixtrans-73.3128178.829.3-33.7000111.3K459P457-K459 PolarHBondContact O-N 3.14Å
458A38.1Very low40.6Very low55 Ų55122.4 Ų122.446%0.45567%0.667SS.*PPolyproline II helixtrans-69.3125.217700000111.3I460A458-I460 PolarHBondContact O-N 2.92Å
459K35.8Very low40.5Very low185 Ų185119.1 Ų119.180%0.80466%0.66SS**  trans-86.5103178.1-170.8174-176.3177.30110.5P457 I461P457-K459 PolarHBondContact O-N 3.14Å; K459-I461 PolarHBondContact O-N 3.04Å
460I36.3Very low40.1Very low129 Ų129119 Ų11966%0.66265%0.654SS**  trans-65.4128.1173.6-56.8174.3000109.2A458A458-I460 PolarHBondContact O-N 2.92Å
461I38.2Very low40Very low127 Ų127119.4 Ų119.465%0.65165%0.645SS**  trans-111.5106.9175.3-57.1178.1000108.4K459 I463K459-I461 PolarHBondContact O-N 3.04Å; I461-I463 HydrophobicContact CG2-CG1 4.19Å
462T35.5Very low39.5Very low116 Ų116119 Ų11971%0.71264%0.638SS**  trans-92.1110.7175.8-54.20000109.7
463I40.4Very low39.3Very low103 Ų103118.5 Ų118.553%0.52864%0.642SS.*  trans-91.3127.6176.8-57.5178.8000109.2I461 Q467I461-I463 HydrophobicContact CG2-CG1 4.19Å; I463-Q467 HydrophobicContact CG2-CB 3.92Å
464P38.2Very low38.8Very low78 Ų78119.8 Ų119.851%0.50665%0.645SS.*  trans-63.5138.4172.4-21.433.4000111.6T466 Q467P464-T466 PolarHBondContact O-N 3.48Å; P464-Q467 WeakPolarHBondContact O-CB 3.36Å; P464-Q467 PolarHBondContact O-N 3.48Å
465A43.3Very low38.5Very low33 Ų33121.3 Ų121.327%0.27365%0.654SS.*Hα-helixtrans-56.6-28.6-177.300000113.7Q467 L468A465-Q467 VanDerWaalsContact C-N 3.29Å; A465-Q467 PolarHBondContact O-N 3.06Å; A465-L468 VanDerWaalsContact O-CB 3.32Å; A465-L468 WeakPolarHBondContact O-CB 3.46Å; A465-L468 PolarHBondContact O-N 2.6Å; A465-L468 VanDerWaalsContact O-N 3.16Å
466T44Very low38.1Very low123 Ų123124.4 Ų124.476%0.75566%0.664SS**Hα-helixtrans-67.1-21.5175.847.60000114.7P464P464-T466 PolarHBondContact O-N 3.48Å
467Q40Very low38Very low110 Ų110123.2 Ų123.251%0.51467%0.669SS.*Hα-helixtrans-83.6-20.4173.4-69.6-73.4-17.100112.2I463 P464 A465 T469 Q470I463-Q467 HydrophobicContact CG2-CB 3.92Å; P464-Q467 WeakPolarHBondContact O-CB 3.36Å; P464-Q467 PolarHBondContact O-N 3.48Å; A465-Q467 VanDerWaalsContact C-N 3.29Å; A465-Q467 PolarHBondContact O-N 3.06Å; Q467-T469 PolarHBondContact O-N 3.41Å; Q467-Q470 PolarHBondContact O-N 3.46Å
468L44.8Very low38.2Very low92 Ų92120.1 Ų120.148%0.48266%0.66SS.*Hα-helixtrans-70.8-33.9-171.7-138.6160.8000111.8A465 Q470 C471A465-L468 VanDerWaalsContact O-CB 3.32Å; A465-L468 WeakPolarHBondContact O-CB 3.46Å; A465-L468 PolarHBondContact O-N 2.6Å; A465-L468 VanDerWaalsContact O-N 3.16Å; L468-Q470 VanDerWaalsContact C-N 3.26Å; L468-Q470 PolarHBondContact O-N 3Å; L468-C471 PolarHBondContact O-N 3.43Å
469T41.9Very low37.9Very low117 Ų117126 Ų12672%0.71868%0.683SS**THydrogen-bonded Turntrans-66.5-22.3179.3-31.50000113.9Q467Q467-T469 PolarHBondContact O-N 3.41Å
470Q39.5Very low38.1Very low154 Ų154124.3 Ų124.372%0.7269%0.688SS**THydrogen-bonded Turntrans-85.2-14.7177.7-164.4166.95.200112.6Q467 L468 Q472Q467-Q470 PolarHBondContact O-N 3.46Å; L468-Q470 VanDerWaalsContact C-N 3.26Å; L468-Q470 PolarHBondContact O-N 3Å; Q470-Q472 PolarHBondContact O-N 3.38Å
471C39.6Very low38.1Very low78 Ų78121.7 Ų121.753%0.52769%0.693SS.*  trans-81.860.6172.7-67.70000112L468 L473L468-C471 PolarHBondContact O-N 3.43Å; C471-L473 PolarHBondContact O-N 3.37Å
472Q35.9Very low38.2Very low165 Ų165121.3 Ų121.377%0.77170%0.701SS**  trans-64.9108.8170.9-78-167.3-600110.9Q470 Q474Q470-Q472 PolarHBondContact O-N 3.38Å; Q472-Q474 PolarHBondContact O-N 3.45Å
473L38.1Very low38.1Very low158 Ų158119.1 Ų119.183%0.82770%0.702SS**  trans-70.189.5169.2-75.2166.8000109.7C471 T475C471-L473 PolarHBondContact O-N 3.37Å; L473-T475 PolarHBondContact O-N 3.39Å
474Q32.2Very low37.9Very low173 Ų173118.4 Ų118.481%0.80871%0.706SS**  trans-76.773.4177.6-166.6172.9103.300111.3Q472 K476Q472-Q474 PolarHBondContact O-N 3.45Å; Q474-K476 PolarHBondContact O-N 3.34Å
475T35.5Very low37.7Very low130 Ų130118.5 Ų118.580%0.79870%0.701SS**  trans-7687.1174.453.60000110.7L473L473-T475 PolarHBondContact O-N 3.39Å
476K27.1Very low37.3Very low191 Ų191123.2 Ų123.283%0.8372%0.722SS**  trans-98.5127.5165.5-155.2168-172.8175.90109.6Q474Q474-K476 PolarHBondContact O-N 3.34Å
477T38.1Very low36.9Very low144 Ų144122.5 Ų122.588%0.88371%0.713SS**  trans-76.2121.1-167.546.80000113
478G39.1Very low37Very low61 Ų61124.2 Ų124.263%0.62973%0.73SS**  trans158.7126.9169.500000113
479L32.3Very low36.7Very low180 Ų180123.2 Ų123.294%0.94274%0.742SS**SBendtrans64.4163.8-179.9-75.376.3000116.2
480T39.9Very low36.4Very low149 Ų149122.5 Ų122.591%0.91474%0.738SS**SBendtrans-107.6113.5-162.234.70000113.4
481G36Very low36.1Very low74 Ų74120.3 Ų120.376%0.76374%0.737SS**  trans119.7147.8155.600000116.7
482S39.8Very low35.8Very low118 Ų118121.5 Ų121.583%0.82574%0.738SS**  trans62.875.6167.8-168.80000117.7
483G34.6Very low35.8Very low71 Ų71117.4 Ų117.473%0.73273%0.732SS**  trans-77.7125.8152.900000110.6
484S35Very low35.6Very low88 Ų88111.6 Ų111.662%0.61570%0.703SS**  trans-103.8146.5179.154.50000112.2
485I35.8Very low35.8Very low79 Ų79112.4 Ų112.441%0.40570%0.699SS.*EExtended strand (participates in β ladder)trans-103.6105.2-178.5-31.7175.1000109I487 V494I485-I487 HydrophobicContact CG2-CG1 4.48Å; I485-I487 PolarHBondContact O-N 3.25Å; I485-V494 HydrophobicContact CD1-CB 4.33Å; I485-V494 HydrophobicContact CD1-CG2 4.13Å
486N33.8Very low35.6Very low132 Ų132108.8 Ų108.871%0.70668%0.682SS**EExtended strand (participates in β ladder)trans-8997176.3-78.1-57.3000110.7
487I36.9Very low35.9Very low108 Ų108104 Ų10455%0.55467%0.665SS**EExtended strand (participates in β ladder)trans-90.2133.1166-60.9174.6000107.6I485 G489 T490I485-I487 HydrophobicContact CG2-CG1 4.48Å; I485-I487 PolarHBondContact O-N 3.25Å; I487-G489 PolarHBondContact O-N 3.47Å; I487-T490 PolarHBondContact O-N 3.24Å
488V40.8Very low35.7Very low146 Ų146102.8 Ų102.889%0.88566%0.658SS**THydrogen-bonded Turntrans-61.8106-178.7178.60000110
489G39.7Very low35.5Very low71 Ų71104.5 Ų104.573%0.73266%0.658SS**THydrogen-bonded Turntrans140.7-36.8175.500000114.7I487I487-G489 PolarHBondContact O-N 3.47Å
490T34.5Very low35.6Very low102 Ų102100.4 Ų100.463%0.62664%0.64SS**EExtended strand (participates in β ladder)trans-164.8136.6179.28.60000111.9I487 L492I487-T490 PolarHBondContact O-N 3.24Å; T490-L492 PolarHBondContact O-N 3.28Å
491P32.7Very low35.4Very low109 Ų10998.9 Ų98.971%0.70864%0.635SS**EExtended strand (participates in β ladder)trans-78.4119.2177.130.6-33.2000111.8
492L33Very low35.4Very low102 Ų102101.7 Ų101.753%0.53463%0.632SS.*EExtended strand (participates in β ladder)trans-102.9110173.1-96.2144.5000110.3T490 V494T490-L492 PolarHBondContact O-N 3.28Å; L492-V494 PolarHBondContact O-N 3.46Å; L492-V494 VanDerWaalsContact O-N 3.14Å
493A36Very low35.4Very low80 Ų8099.9 Ų99.966%0.66162%0.624SS**  trans-79.991.3176.900000111.1P514A493-P514 WeakPolarHBondContact O-CD 3.32Å
494V34.2Very low35.8Very low36 Ų36105.4 Ų105.422%0.21863%0.631CS.*  trans-93.8129.5174.7-172.50000109.5I485 L492 L511I485-V494 HydrophobicContact CD1-CB 4.33Å; I485-V494 HydrophobicContact CD1-CG2 4.13Å; L492-V494 PolarHBondContact O-N 3.46Å; L492-V494 VanDerWaalsContact O-N 3.14Å; V494-L511 HydrophobicContact CG1-CB 3.95Å; V494-L511 HydrophobicContact CG1-CD1 4.4Å; V494-L511 HydrophobicContact CG1-CD2 4.07Å; V494-L511 HydrophobicContact CG1-CG 4.36Å
495R36.9Very low36.3Very low189 Ų189104.9 Ų104.971%0.71364%0.639SS**EExtended strand (participates in β ladder)trans-100.6115.4178.5-159.2173.1-171.4171.53.1109.8S512R495-S512 PolarHBondContact N-O 2.93Å; R495-S512 PolarHBondContact O-N 3.05Å; R495-S512 PolarHBondContact O-OG 3.32Å
496A30.5Very low36.2Very low55 Ų55106.4 Ų106.446%0.45565%0.652SS.*EExtended strand (participates in β ladder)trans-71.2135.8169.200000110M509 L511A496-M509 HydrophobicContact CB-CE 3.69Å; A496-L511 HydrophobicContact CB-CD2 4.37Å
497L33.4Very low36.2Very low90 Ų90105.6 Ų105.647%0.47165%0.654SS.*PPolyproline II helixtrans-103.8161.2169-64.2177.1000110.1R510L497-R510 PolarHBondContact N-O 2.96Å
498T35.1Very low36Very low119 Ų119105.2 Ų105.273%0.7366%0.657SS**PPolyproline II helixtrans-57.1135.8-179.246.30000111.6V500T498-V500 PolarHBondContact O-N 3.14Å
499P34Very low35.7Very low96 Ų96104.6 Ų104.662%0.62365%0.645SS**PPolyproline II helixtrans-64.9135.5-179.727.8-34.5000110.6
500V34.9Very low35.4Very low95 Ų95108.8 Ų108.858%0.57664%0.639SS**BIsolated β-bridgetrans-95.1119.3171.2174.70000107.6T498 I502T498-V500 PolarHBondContact O-N 3.14Å; V500-I502 HydrophobicContact CG1-CG1 4.48Å
501S35.5Very low35.3Very low116 Ų116108.2 Ų108.281%0.81163%0.632SS**PPolyproline II helixtrans-76.4127.2173-169.20000109.8
502I37.3Very low35.4Very low133 Ų133105.3 Ų105.368%0.68261%0.614SS**  trans-115.6140.4164.5-58.2178.9000105.6V500V500-I502 HydrophobicContact CG1-CG1 4.48Å
503A39.5Very low35.6Very low81 Ų81105.7 Ų105.767%0.66962%0.621SS**SBendtrans-55.8143.3-16900000112.9
504H42.4Very low35.5Very low187 Ų187105.6 Ų105.687%0.86661%0.613SS**SBendtrans74.155.3-175.1-46.2116.7000116.3T506H504-T506 PolarHBondContact O-N 3.46Å
505G45.9Very low35.5Very low77 Ų77108.2 Ų108.279%0.79464%0.639SS**SBend87.314.7125.400000119
506T33.4Very low35.5Very low111 Ų111108.8 Ų108.868%0.68165%0.649SS**  trans-128.7121.1171.4-37.50000111.9H504 V508H504-T506 PolarHBondContact O-N 3.46Å; T506-V508 PolarHBondContact O-N 3.48Å
507P33Very low35.7Very low115 Ų115115 Ų11575%0.74767%0.669SS**  trans-76113.3-178.629.3-33.2000111.7
508V32.8Very low35.5Very low100 Ų100115.5 Ų115.561%0.60669%0.686SS**BIsolated β-bridgetrans-88.7112176.3-178.30000110.1T506T506-V508 PolarHBondContact O-N 3.48Å
509M35.3Very low35.3Very low132 Ų132116 Ų11665%0.6570%0.695SS**  trans-86.5112.8-179.1-167.1173.3-170.800111.4A496 L511A496-M509 HydrophobicContact CB-CE 3.69Å; M509-L511 HydrophobicContact CE-CD2 4.24Å; M509-L511 HydrophobicContact CG-CD2 4.37Å
510R32.5Very low34.9Very low160 Ų160114.7 Ų114.760%0.60470%0.698SS**  trans-91.8107.4-179-160.2172.9-169.6161.41.1110.7L497L497-R510 PolarHBondContact N-O 2.96Å
511L33.6Very low34.6Very low90 Ų90119.7 Ų119.747%0.47172%0.715SS.*EExtended strand (participates in β ladder)trans-92.7133.6175.1-59.5177.3000110.2V494 A496 M509V494-L511 HydrophobicContact CG1-CB 3.95Å; V494-L511 HydrophobicContact CG1-CD1 4.4Å; V494-L511 HydrophobicContact CG1-CD2 4.07Å; V494-L511 HydrophobicContact CG1-CG 4.36Å; A496-L511 HydrophobicContact CB-CD2 4.37Å; M509-L511 HydrophobicContact CE-CD2 4.24Å; M509-L511 HydrophobicContact CG-CD2 4.37Å
512S34.4Very low34.5Very low48 Ų48120.3 Ų120.334%0.33672%0.715SS.*EExtended strand (participates in β ladder)trans-114.9136.4167.958.20000110.9R495R495-S512 PolarHBondContact N-O 2.93Å; R495-S512 PolarHBondContact O-N 3.05Å; R495-S512 PolarHBondContact O-OG 3.32Å
513V36.3Very low34.1Very low110 Ų110119.5 Ų119.567%0.66772%0.718SS**PPolyproline II helixtrans-96118.5171-179.30000106.9
514P33.7Very low33.7Very low78 Ų78121.4 Ų121.451%0.50672%0.723SS.*PPolyproline II helixtrans-67.9138.9173.629-33.1000109.8A493 Q516A493-P514 WeakPolarHBondContact O-CD 3.32Å; P514-Q516 PolarHBondContact O-N 3.37Å
515A35.3Very low33Very low91 Ų91123.9 Ų123.975%0.75273%0.725SS**PPolyproline II helixtrans-64.2133.7170.800000109.7Q517A515-Q517 PolarHBondContact O-N 3.3Å
516Q35.9Very low32.1Very low201 Ų201126.9 Ų126.994%0.93973%0.728SS**  trans-68.3101.9169.5-76.7-175.1-65.700108.9P514P514-Q516 PolarHBondContact O-N 3.37Å
517Q35.3Very low31.8Very low185 Ų185128.3 Ų128.386%0.86473%0.73SS**  trans-66.2130.5164.8-65.4-179.9-6600108.7A515 S519A515-Q517 PolarHBondContact O-N 3.3Å; Q517-S519 PolarHBondContact O-N 3.16Å
518A29.2Very low31.3Very low100 Ų100128.6 Ų128.683%0.82674%0.735SS**  trans-62133.2159.200000108.2G520A518-G520 PolarHBondContact O-N 3.48Å
519S30.1Very low31.1Very low131 Ų131127.9 Ų127.992%0.91674%0.739SS**SBendtrans-72101.6-174.252.50000111.3Q517Q517-S519 PolarHBondContact O-N 3.16Å
520G27.2Very low30.7Very low68 Ų68128 Ų12870%0.70175%0.747SS**  trans-154.676-175.800000113.5A518A518-G520 PolarHBondContact O-N 3.48Å
521Q28.4Very low30.5Very low199 Ų199128 Ų12893%0.9376%0.757SS**  trans64.6150.9175.3-64.4-171.6-12.100118.1
522T32.4Very low30Very low130 Ų130133 Ų13380%0.79878%0.775SS**PPolyproline II helixtrans-97.7137.8-17848.30000111.4
523P28.9Very low29.6Very low116 Ų116135.9 Ų135.975%0.75380%0.795SS**PPolyproline II helixtrans-72.3133.2172.330.1-33.6000111R525P523-R525 PolarHBondContact O-N 3.37Å
524P30.7Very low29.5Very low120 Ų120136.9 Ų136.978%0.77980%0.804SS**PPolyproline II helixtrans-70.1126.3171.828.6-32.7000110.3V526P524-V526 PolarHBondContact O-N 3.48Å
525R29.7Very low29Very low239 Ų239139.8 Ų139.890%0.90281%0.811SS**  trans-72.8113.1167.1-81.8173.8149.6-172.2-8109.3P523P523-R525 PolarHBondContact O-N 3.37Å
526V25Very low28.8Very low140 Ų140142.3 Ų142.385%0.84882%0.817SS**  trans-81.9122.1160.2-179.20000108.1P524P524-V526 PolarHBondContact O-N 3.48Å
527I28.2Very low28.4Very low141 Ų141140 Ų14072%0.72380%0.804SS**  trans-87128.3174.3-62.3171000107.4A529I527-A529 HydrophobicContact CG2-CB 4.44Å; I527-A529 PolarHBondContact O-N 3.18Å
528S23Very low28.1Very low122 Ų122136.3 Ų136.385%0.85380%0.798SS**  trans-75.4109.7168.4-170.20000109
529A27.3Very low28Very low84 Ų84138.3 Ų138.369%0.69480%0.795SS**  trans-138.4108.1175.200000109.1I527I527-A529 HydrophobicContact CG2-CB 4.44Å; I527-A529 PolarHBondContact O-N 3.18Å
530V27.6Very low27.9Very low135 Ų135137.8 Ų137.882%0.81879%0.786SS**  trans-77.7120.7172.3172.20000108.8
531I27.6Very low27.9Very low161 Ų161139 Ų13983%0.82679%0.79SS**  trans-156.3115.5155.3-97.4137.6000110.1
532K24.2Very low28Very low193 Ų193134.2 Ų134.284%0.83978%0.784SS**  trans40.2124.1137.4-142.7169-173.7175.20120.8
533S25.7Very low27.9Very low110 Ų110136.2 Ų136.277%0.76979%0.789SS**  trans-59.9164.2166.5-35.30000113.8
534P34.3Very low27.9Very low131 Ų131140 Ų14085%0.85179%0.793SS**  -129.4169.5110.138.2-32.8000115.1
535E23.7Very low27.7Very low139 Ų139142 Ų14265%0.6579%0.793SS**  trans-88.9142.7-178.4174.8-157.5141.800112.8K537E535-K537 IonicContact OE1-NZ 2.61Å; E535-K537 PolarHBondContact OE1-NZ 3.29Å
536V29.9Very low27.7Very low143 Ų143136.5 Ų136.587%0.86778%0.777SS**  trans-146.1154.4142.5179.80000108.8
537K27.7Very low28Very low154 Ų154137.9 Ų137.967%0.6777%0.767SS**  trans-102.4-174.8-169.5-58.9176.8170.579.10114.1E535E535-K537 IonicContact OE1-NZ 2.61Å; E535-K537 PolarHBondContact OE1-NZ 3.29Å
538S30.3Very low28Very low107 Ų107138 Ų13875%0.74877%0.765SS**  trans76.5144.5145.337.50000120
539D25.7Very low28.3Very low141 Ų141137.1 Ų137.175%0.75475%0.754SS**  cis-165.8165.1-20.8-147.1-55.4000111.1
540T28.5Very low28.4Very low120 Ų120142.4 Ų142.474%0.73676%0.761SS**  trans57.1153.7149.7-30000125
541A27.8Very low28.4Very low94 Ų94140.7 Ų140.778%0.77775%0.751SS**  trans88.1101.5141.900000119.5
542A30.6Very low28.6Very low98 Ų98140.5 Ų140.581%0.8175%0.751SS**  trans-75165.9161.200000112.7
543L29.3Very low28.7Very low172 Ų172139 Ų13990%0.90175%0.747SS**  trans-145.2155.1151.7-113170.1000111
544K28.5Very low28.6Very low195 Ų195140 Ų14085%0.84874%0.743SS**  trans-96.6167.9173.5-55.2174.7-179.1177.50108.9
545Q27.9Very low28.2Very low163 Ų163138.9 Ų138.976%0.76273%0.733SS**  176.8164.6106.7-164.815015.800112.9
546E28.6Very low28.3Very low124 Ų124139.1 Ų139.158%0.57974%0.735SS**  trans-58.4-177.2174.2-44.7149.476.100114.5
547R31.3Very low28.1Very low168 Ų168139.7 Ų139.763%0.63473%0.728SS**  cis-142.8-138.23.4-142.3176.6-69.8111.32.4108.5
548E28.9Very low28Very low144 Ų144138.6 Ų138.667%0.67373%0.725SS**  cis-145.7-176.93.5-160.7134.4103.700112.3
549V29Very low28.3Very low103 Ų103141.1 Ų141.162%0.62472%0.722SS**  trans-109.7148.2-167.9172.60000112.2
550K29.8Very low29.1Very low196 Ų196138.9 Ų138.985%0.85272%0.716SS**  trans-177.5158.4140-97.3144.2-169.6165.20112.4
551T27.7Very low29.3Very low99 Ų99137.4 Ų137.461%0.60772%0.716SS**  -169.4116.6-58.1-900000109.6
552L30.7Very low29.4Very low156 Ų156141 Ų14182%0.81772%0.722SS**  trans57.6165157.7-62.9178000119.4
553Q26Very low29.4Very low161 Ų161139.7 Ų139.775%0.75272%0.717SS**  cis-130.3-143.10.3-140.9171.3-17.400108.7
554L24.6Very low29.4Very low132 Ų132134.8 Ų134.869%0.69171%0.709SS**  cis-159.2151.44-167.656.6000109.8
555V25.8Very low29.7Very low107 Ų107135.2 Ų135.265%0.64871%0.711SS**  trans44.9110.9157.5161.70000119.2
556Q25.9Very low29.8Very low145 Ų145134.2 Ų134.268%0.67872%0.716SS**  75.1137.876.9-91.8177.7-8400114.6
557E25.8Very low30Very low154 Ų154133.6 Ų133.672%0.7272%0.72SS**  cis-163.81700.1-149.8146.640.500108.7
558E25.8Very low29.8Very low132 Ų132131.8 Ų131.862%0.61773%0.728SS**  cis-129.6-85.50.9-151-106.3147.800112.4
559K36.8Very low29.7Very low159 Ų159132.2 Ų132.269%0.69173%0.73SS**  trans-177.9-167.9-152.6-117.2169.861.2-140.90110.6
560P42.3Very low29.6Very low94 Ų94133.2 Ų133.261%0.6174%0.736SS**  cis-134.1-179.8-27.134.6-17.2000115.2
561A31.8Very low29.4Very low89 Ų89129.2 Ų129.274%0.73673%0.727SS**  trans67.5117.1153.200000118
562D29.6Very low29.3Very low171 Ų171130.7 Ų130.791%0.91474%0.736SS**  cis81.3143.639-163.329.3000114.7
563G31.1Very low29Very low69 Ų69128.4 Ų128.471%0.71173%0.728SS**  trans133.448.7-168.300000113.1
564G30.6Very low29Very low70 Ų70126.2 Ų126.272%0.72273%0.731SS**  trans-70.5171.6-161.700000118.4
565K33.8Very low29.3Very low204 Ų204125.9 Ų125.989%0.88774%0.735SS**  trans-135.8132.6164.3-63.3-175.2-177.5-178.30108.8
566T31.1Very low30.1Very low141 Ų141126.3 Ų126.387%0.86574%0.739SS**  trans-80.1130.1-17642.90000111.9
567V31Very low30.2Very low111 Ų111125.1 Ų125.167%0.67375%0.747SS**  trans-134.4118.4168-175.90000109.4H569V567-H569 PolarHBondContact O-N 3.41Å; V567-H569 VanDerWaalsContact O-N 3.11Å
568T27.5Very low30.4Very low131 Ų131121.8 Ų121.880%0.80475%0.746SS**  trans-82.587.1-172.2-48.80000111.9V570T568-V570 HydrophobicContact CG2-CG2 4.43Å; T568-V570 PolarHBondContact O-N 3.07Å
569H28.1Very low30.7Very low152 Ų152123.6 Ų123.670%0.70476%0.758SS**  trans-88.1103171.2-75.2-79.5000111.6V567 V571V567-H569 PolarHBondContact O-N 3.41Å; V567-H569 VanDerWaalsContact O-N 3.11Å; H569-V571 HydrophobicContact CB-CG2 4.32Å; H569-V571 PolarHBondContact O-N 3.02Å
570V26.2Very low30.4Very low124 Ų124120.3 Ų120.375%0.75276%0.761SS**  trans-76.790.4171.3-178.90000109.5T568 V572T568-V570 HydrophobicContact CG2-CG2 4.43Å; T568-V570 PolarHBondContact O-N 3.07Å; V570-V572 HydrophobicContact CG1-CG2 4.2Å
571V25.1Very low29.8Very low112 Ų112123.6 Ų123.668%0.67977%0.772SS**  trans-96.5101.2175.2176.90000109.2H569 V573H569-V571 HydrophobicContact CB-CG2 4.32Å; H569-V571 PolarHBondContact O-N 3.02Å; V571-V573 HydrophobicContact CG1-CG2 3.83Å; V571-V573 PolarHBondContact O-N 2.89Å
572V26.5Very low30.1Very low130 Ų130124.9 Ų124.979%0.78877%0.773SS**  trans-84.797.2172.4-177.80000109.1V570V570-V572 HydrophobicContact CG1-CG2 4.2Å
573V24.6Very low30.1Very low108 Ų108122.7 Ų122.766%0.65577%0.765SS**  trans-112.5137.4165.5169.30000108.4V571V571-V573 HydrophobicContact CG1-CG2 3.83Å; V571-V573 PolarHBondContact O-N 2.89Å
574S25.4Very low30.2Very low115 Ų115125.7 Ų125.780%0.80477%0.77SS**  trans-142.7143.4166.1-750000109.6
575T31.5Very low30.2Very low126 Ų126130.1 Ų130.177%0.77377%0.774SS**  trans-101.6164.2-15739.90000113
576P42.7Very low30.2Very low115 Ų115128.8 Ų128.875%0.74777%0.768SS**  trans-93.5171.3-16537.1-37.4000114.7
577S26.7Very low30.4Very low120 Ų120128 Ų12884%0.83976%0.764SS**  trans113.2153.4168.3-54.60000114.3
578A31.1Very low30.5Very low84 Ų84130.1 Ų130.169%0.69477%0.766SS**  cis-171.3139-29.800000108.7
579I30.8Very low30.8Very low170 Ų170127.8 Ų127.887%0.87277%0.768SS**  trans-165.4100.8165.6-99.1140.4000105.8
580A30.8Very low31.2Very low90 Ų90127.9 Ų127.974%0.74477%0.772SS**  82.294.68900000113.8
581L30.1Very low31.7Very low163 Ų163129.8 Ų129.885%0.85378%0.776SS**  trans-95.4123.7169.2-72.4170.7000110.3V583L581-V583 PolarHBondContact O-N 2.98Å
582P38.3Very low32.3Very low116 Ų116130 Ų13075%0.75378%0.778SS**  trans-81.3100.8168.331.2-31.1000110.4T584P582-T584 PolarHBondContact O-N 3.04Å
583V29.1Very low32.7Very low125 Ų125130.2 Ų130.276%0.75878%0.784SS**PPolyproline II helixtrans-76.6117.1166.3174.20000108.8L581L581-V583 PolarHBondContact O-N 2.98Å
584T33.2Very low33.3Very low132 Ų132132.6 Ų132.681%0.8179%0.788SS**PPolyproline II helixtrans-102.2122167.346.30000110P582P582-T584 PolarHBondContact O-N 3.04Å
585M31.7Very low33.9Very low164 Ų164139.1 Ų139.181%0.80880%0.801SS**PPolyproline II helixtrans-80.1146.7-179.1-58.3174.273.700110.8
586K32.8Very low34Very low175 Ų175139.8 Ų139.876%0.76180%0.803SS**  trans-120115.7161.8-168.2172.8-172.3-86.80109.1E588K586-E588 IonicContact NZ-OE1 2.6Å; K586-E588 PolarHBondContact NZ-OE1 3.41Å
587T34.6Very low33.5Very low125 Ų125141.1 Ų141.177%0.76781%0.806SS**  trans-96.4115.4-170.2-51.10000111.5
588E34Very low33.9Very low156 Ų156142.2 Ų142.273%0.72980%0.804SS**  trans-144.8133.2166.9-68.9-176.3-149.700111.5K586K586-E588 IonicContact NZ-OE1 2.6Å; K586-E588 PolarHBondContact NZ-OE1 3.41Å
589G34.3Very low34.1Very low81 Ų81145.6 Ų145.684%0.83581%0.81SS**  trans83.985154.400000119.4
590I35.3Very low34.3Very low155 Ų155144.1 Ų144.180%0.79581%0.807SS**  trans-85.8131.3150.4-65.6172.7000108.3T592I590-T592 HydrophobicContact CG2-CG2 4.23Å
591I38.2Very low34.5Very low164 Ų164147.7 Ų147.784%0.84181%0.811SS**  trans-133.9120.9150.5-58.5-177.4000108.2
592T37.2Very low34.8Very low116 Ų116146.6 Ų146.671%0.71281%0.808SS**  trans-85.4140.8174.345.40000111.8I590I590-T592 HydrophobicContact CG2-CG2 4.23Å
593C34.3Very low34.6Very low134 Ų134149 Ų14991%0.90581%0.812SS**  trans-137.3123.4145.7-82.50000107.9
594E38.3Very low35Very low158 Ų158151 Ų15174%0.73882%0.816SS**  trans-99.2144.3168.8-167.2-150.8122.500108.7
595K36.4Very low35.2Very low252 Ų252152.7 Ų152.7100%1.09682%0.817SS**  trans780163.7-123.1-175.8-145.389.80117.5

Retrieved 595 of 595 residues in 84.5 ms (Link to these results)