A0A5K4F3C2_SCHMA Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3C2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low36Very low243 Ų243145.2 Ų145.2100%1.19786%0.86SS**  0101.20-95.1169.4149.700107.3
2S38.1Very low36.1Very low117 Ų117146.3 Ų146.382%0.81886%0.859SS**  trans62.298.4153.2-41.50000120
3D31.8Very low35.9Very low156 Ų156141.5 Ų141.583%0.83484%0.838SS**  trans-57.5156151.2-59.1-58.8000112.1
4L39.6Very low36.1Very low165 Ų165147.3 Ų147.386%0.86485%0.848SS**  trans-155.8104.3153.2-102152.7000109.9
5S29.7Very low35.8Very low109 Ų109147.9 Ų147.976%0.76285%0.847SS**  trans-86.4147.5163.752.70000111
6C36.8Very low35.6Very low121 Ų121148 Ų14882%0.81884%0.844SS**  trans-138.9114.1160.5-39.50000110.1
7N31.6Very low35.5Very low168 Ų168145.8 Ų145.890%0.89883%0.834SS**  trans-87.3157.4160.5-81.6-31.8000109.8
8A39.9Very low35.6Very low103 Ų103146.8 Ų146.885%0.85183%0.831SS**  trans-149116.9154.300000110.3
9D32.2Very low35.3Very low153 Ų153146.4 Ų146.482%0.81883%0.826SS**  trans-85153167.5-111.5-31.2000110.4
10V42.5Very low35.3Very low146 Ų146147.3 Ų147.389%0.88583%0.827SS**  trans-144.9112.8152.7-179.10000109.7
11T33.1Very low35.2Very low116 Ų116145 Ų14571%0.71282%0.818SS**  trans-94.3147.1161.343.40000110.4
12D37Very low35Very low158 Ų158140.4 Ų140.485%0.84580%0.797SS**  trans-157.4161.2135.5-133.5-21.5000113.7
13S33.3Very low34.9Very low84 Ų84140 Ų14059%0.58779%0.792SS**  trans-117.5156.4-145.2-260000111.6
14F38.9Very low35Very low223 Ų223139.2 Ų139.298%0.97879%0.787SS**  trans-161.3123.4142.7-96.2-68.9000112.9
15N31.2Very low35Very low156 Ų156136.4 Ų136.483%0.83478%0.781SS**  trans-91.5151.9176.2-95.7-29.3000112.1
16N33.6Very low35.4Very low150 Ų150137.9 Ų137.980%0.80278%0.78SS**  -178.1113118.4-123.7-11.7000114.9
17T33.8Very low35.1Very low110 Ų110140.7 Ų140.768%0.67578%0.779SS**  48.4119.2125.5-420000122
18Q36.4Very low35.1Very low165 Ų165138.2 Ų138.277%0.77177%0.77SS**  168.8121.296-146.2162.434.300114.3
19N31.1Very low34.6Very low139 Ų139141.1 Ų141.174%0.74377%0.771SS**  trans41.2131.4147-56.7-19.1000121.1
20I34.5Very low34.5Very low164 Ų164141.9 Ų141.984%0.84177%0.774SS**  -168.9153.871.1-78173.6000109.5
21P33.5Very low33.8Very low99 Ų99142.3 Ų142.364%0.64377%0.771SS**  trans-108.7150.4-153.522.4-3.2000118.9
22I36.8Very low33.8Very low147 Ų147144.3 Ų144.375%0.75478%0.777SS**  trans42.2149.3130.1-26.2158.2000117.3
23P35.7Very low33.5Very low109 Ų109142.3 Ų142.371%0.70877%0.771SS**  cis-159.6156.33842.1-16.6000124.6
24N33.6Very low33.6Very low139 Ų139146.4 Ų146.474%0.74378%0.784SS**  trans72.4121.2131.2-62.4-6.2000124.9
25S39.7Very low33.3Very low105 Ų105141.2 Ų141.273%0.73477%0.77SS**  157132.7119.945.30000109
26D38.1Very low33.4Very low140 Ų140142.1 Ų142.175%0.74977%0.77SS**  cis-155.1131.86.2-91.2-33.9000112.2
27F31.1Very low33.3Very low181 Ų181141.2 Ų141.279%0.79477%0.765SS**  trans25.1111.2142.4-70.8-96.3000121.7
28T30.7Very low33.5Very low115 Ų115144.1 Ų144.171%0.70677%0.771SS**  60.8108.779.9650000115.9
29L29.2Very low33.4Very low165 Ų165142.4 Ų142.486%0.86477%0.767SS**  50.1117.393.9-88.6176000115.6
30L31.3Very low33.6Very low168 Ų168143 Ų14388%0.8877%0.77SS**  trans-143.2102.3156.6-142110.8000110
31N27.6Very low33.4Very low155 Ų155140.1 Ų140.183%0.82976%0.763SS**  trans-132.4102.5151.9-98-20.7000103.7
32D32.8Very low33.4Very low158 Ų158142.3 Ų142.385%0.84577%0.769SS**  trans-146.3143.1157.8-101.9-29.9000112
33V30.3Very low33.2Very low116 Ų116139.7 Ų139.770%0.70376%0.764SS**  trans-67.8138.3-169.3170.30000112.5V35V33-V35 HydrophobicContact CG1-CG2 4.07Å
34I35.8Very low33Very low171 Ų171140 Ų14088%0.87777%0.767SS**  trans-136.2119.6144.5-58.8-176.7000109
35V32.2Very low33.2Very low113 Ų113139.2 Ų139.269%0.68577%0.768SS**  trans-94129.4169.11670000107.5V33V33-V35 HydrophobicContact CG1-CG2 4.07Å
36E34.6Very low33Very low176 Ų176143.5 Ų143.582%0.82278%0.776SS**  trans-168122.3137.3-116.3177.8166.800113.7
37N31.7Very low32.9Very low130 Ų130140 Ų14070%0.69577%0.774SS**  trans5.2130.6148.7-57.8-37.1000119.6
38H37.9Very low33.3Very low172 Ų172137.7 Ų137.780%0.79678%0.776SS**  174.9150.289.6-124.7-80.5000111.6
39N33.1Very low33.4Very low129 Ų129137.4 Ų137.469%0.6978%0.779SS**  trans-54.1144.6-179.2-49.1-52.3000115
40D34.9Very low33.9Very low152 Ų152136 Ų13681%0.81378%0.777SS**  172.3140.3103.1-107.9-31.8000114.4
41C31.6Very low34.3Very low102 Ų102137.1 Ų137.169%0.68978%0.775SS**  trans56120.1149.9-90.30000123.5
42D33.5Very low34.7Very low146 Ų146138.7 Ų138.778%0.78177%0.774SS**  55.1144.2126.8-67.6-15.2000120.9
43S32.3Very low34.6Very low91 Ų91137.4 Ų137.464%0.63678%0.775SS**  cis-176.2161.7-19.748.90000105.2
44C31.2Very low34.8Very low115 Ų115141.8 Ų141.878%0.77778%0.779SS**  trans78.8132.3173.5-46.80000115.2
45T38Very low34.5Very low123 Ų123142.2 Ų142.276%0.75578%0.782SS**  cis-167.8133.925-210000109.6
46Q34.9Very low34.6Very low195 Ų195144.9 Ų144.991%0.91179%0.785SS**  trans51112.2151.3-68.8-17515.900122
47G36.4Very low34.4Very low68 Ų68145.3 Ų145.370%0.70179%0.787SS**  trans-145.3146.7155.800000110.1
48P38.8Very low34.4Very low131 Ų131146.9 Ų146.985%0.85179%0.789SS**  trans-71.3137.4-159.628.7-33.5000113.2V50P48-V50 PolarHBondContact O-N 3.31Å
49S33.7Very low33.9Very low110 Ų110146.8 Ų146.877%0.76979%0.79SS**  trans-61.6109.3-177.4-174.30000112.7K51S49-K51 PolarHBondContact O-N 2.74Å; S49-K51 VanDerWaalsContact O-N 3.14Å
50V40Very low34Very low135 Ų135146.7 Ų146.782%0.81879%0.789SS**  trans-69.8103.9163.2-177.70000108.1P48 K52P48-V50 PolarHBondContact O-N 3.31Å; V50-K52 PolarHBondContact O-N 3.19Å
51K38.2Very low33.9Very low191 Ų191145.4 Ų145.483%0.8379%0.787SS**  trans-66.6100.8175-71.7-180178.4177.10109.5S49S49-K51 PolarHBondContact O-N 2.74Å; S49-K51 VanDerWaalsContact O-N 3.14Å
52K36.2Very low33.9Very low188 Ų188148 Ų14882%0.81779%0.792SS**  trans-61.1130.8157.9-89.5175.2175170.50108.4V50 R54V50-K52 PolarHBondContact O-N 3.19Å; K52-R54 PolarHBondContact O-N 3.24Å
53P32.4Very low33.7Very low131 Ų131146.6 Ų146.685%0.85179%0.792SS**  trans-67.2108.817326.4-29.3000108.6
54R33.6Very low33.8Very low209 Ų209148.3 Ų148.379%0.78980%0.799SS**  trans-81.7110.7164-78.5-174.8176.2179.6-0.8107.1K52 F56K52-R54 PolarHBondContact O-N 3.24Å; R54-F56 HydrophobicContact CB-CD2 4.32Å; R54-F56 HydrophobicContact CB-CE2 4.18Å; R54-F56 PolarHBondContact O-N 3.17Å
55L29.9Very low33.9Very low179 Ų179151 Ų15194%0.93781%0.805SS**  trans-62.3111.9161.5-94.1163.3000107.5
56F33.1Very low33.6Very low170 Ų170150 Ų15075%0.74680%0.795SS**  trans-89.5123.5165.2-86.9-86.3000108R54 Q58R54-F56 HydrophobicContact CB-CD2 4.32Å; R54-F56 HydrophobicContact CB-CE2 4.18Å; R54-F56 PolarHBondContact O-N 3.17Å; F56-Q58 PolarHBondContact O-N 3.12Å
57E31.2Very low33.7Very low185 Ų185148.1 Ų148.186%0.86479%0.791SS**  trans-75.599.2170.8-170.4161.5-178.500107.8Q59E57-Q59 PolarHBondContact O-N 2.91Å
58Q30.7Very low33.4Very low162 Ų162149 Ų14976%0.75780%0.8SS**  trans-80106.1173.2-173.7171.8-18.900108.5F56 D60F56-Q58 PolarHBondContact O-N 3.12Å; Q58-D60 PolarHBondContact NE2-OD2 3.03Å; Q58-D60 PolarHBondContact O-N 2.83Å
59Q28Very low33.1Very low171 Ų171151.5 Ų151.580%0.79980%0.798SS**  trans-67.9111.6160.3-79.4159.9-7.300108E57E57-Q59 PolarHBondContact O-N 2.91Å
60D35.6Very low33.1Very low127 Ų127155.4 Ų155.468%0.67980%0.801SS**  trans-152.1100152.8-88.2-41.8000110.5Q58Q58-D60 PolarHBondContact NE2-OD2 3.03Å; Q58-D60 PolarHBondContact O-N 2.83Å
61T31.8Very low32.9Very low124 Ų124155.8 Ų155.876%0.76180%0.799SS**  trans-5.3119.7144.9-11.70000117.6
62I33.2Very low32.7Very low158 Ų158149.6 Ų149.681%0.8179%0.79SS**  159.2128.9112.6-79.4160.3000110.8
63C29.7Very low32.5Very low115 Ų115152 Ų15278%0.77780%0.795SS**  trans-72.2152.1-172-49.50000114.5
64T32.3Very low32.7Very low128 Ų128152.5 Ų152.579%0.78579%0.791SS**  trans-150.795.6134.8-39.70000109.9
65L34.5Very low32.8Very low171 Ų171151 Ų15190%0.89580%0.797SS**  trans-95.1105.2164.1-95.3160.9000107.5N67L65-N67 PolarHBondContact O-N 3.02Å
66N31Very low33.4Very low103 Ų103147.7 Ų147.755%0.55179%0.788SS**  trans-74.8113.2161.9-77.3-22.1000107.6
67N37.2Very low33.7Very low154 Ų154147.2 Ų147.282%0.82479%0.793SS**  trans-175134.6135.4-88.5-10.5000109.8L65 F69L65-N67 PolarHBondContact O-N 3.02Å; N67-F69 PolarHBondContact O-N 2.79Å
68G30.1Very low34.3Very low87 Ų87147.6 Ų147.690%0.89779%0.792SS**  trans-61.4116.7-168.700000113.7
69F32.6Very low35.3Very low184 Ų184146.7 Ų146.781%0.80779%0.786SS**  trans-133.9100.1156.6-155.5-97.6000107.1N67 D71N67-F69 PolarHBondContact O-N 2.79Å; F69-D71 HydrophobicContact CE1-CB 4.43Å; F69-D71 PolarHBondContact O-N 3.1Å
70K34.4Very low36.6Very low191 Ų191141.3 Ų141.383%0.8377%0.767SS**  trans-73.2116.1159.2-77.4-166.9174.4-173.70105.4
71D35.2Very low37.5Very low143 Ų143142.2 Ų142.277%0.76577%0.771SS**  trans174.3132.9135.2-83.3-20000111.6F69F69-D71 HydrophobicContact CE1-CB 4.43Å; F69-D71 PolarHBondContact O-N 3.1Å
72G33.5Very low39.2Very low62 Ų62140.2 Ų140.264%0.63976%0.76SS**  trans6997.914600000118.3N74G72-N74 PolarHBondContact O-N 3.35Å
73Y32.2Very low40.6Very low237 Ų237137.7 Ų137.793%0.92975%0.745SS**  trans-51.5104.9158.9-42-88.3000110.3
74N37.8Very low42.5Very low142 Ų142135.8 Ų135.876%0.75973%0.727SS**  trans-133.7104.2156.3-86.3-57.9000107.3G72 C76G72-N74 PolarHBondContact O-N 3.35Å; N74-C76 PolarHBondContact O-N 3.4Å
75L34.4Very low44.5Very low178 Ų178135.1 Ų135.193%0.93272%0.715SS**  trans-49.2102.8168.2-17071.2000107.9N77L75-N77 PolarHBondContact O-N 3.27Å; L75-N77 VanDerWaalsContact O-N 3.07Å
76C42.3Very low46.7Very low109 Ų109132 Ų13274%0.73670%0.695SS**  trans-59.2117.6-177.3-38.80000108N74 F78N74-C76 PolarHBondContact O-N 3.4Å; C76-F78 PolarHBondContact O-N 3.46Å
77N40Very low48.9Very low160 Ų160131.5 Ų131.586%0.85669%0.69SS**  trans-47.6114168.7-125.1-21.3000108.3L75 K79L75-N77 PolarHBondContact O-N 3.27Å; L75-N77 VanDerWaalsContact O-N 3.07Å; N77-K79 PolarHBondContact O-N 3.34Å
78F44.6Very low51.1Low194 Ų194131.1 Ų131.185%0.85168%0.681SS**  trans-59.2104.6171.4-85.6-89.1000107C76 S80C76-F78 PolarHBondContact O-N 3.46Å; F78-S80 PolarHBondContact O-N 3.33Å
79K51.9Low53.8Low143 Ų143131.4 Ų131.462%0.62266%0.658SS**  trans-53.2137.6166.4-75.2-177.4177.2-177.80107.3N77 L81N77-K79 PolarHBondContact O-N 3.34Å; K79-L81 PolarHBondContact O-N 3.5Å
80S53.6Low56.3Low58 Ų58129.1 Ų129.141%0.40665%0.647SS.*  trans-53.7138.2-174.663.90000110.2F78 E83 L84F78-S80 PolarHBondContact O-N 3.33Å; S80-E83 PolarHBondContact N-OE2 2.97Å; S80-E83 PolarHBondContact O-N 3.23Å; S80-E83 PolarHBondContact OG-OE2 2.98Å; S80-L84 PolarHBondContact O-N 2.92Å
81L55.1Low58.9Low146 Ų146124.4 Ų124.476%0.76464%0.635SS**Hα-helixtrans-41.6-39.4177.5-171.965.4000114.6K79 Q85K79-L81 PolarHBondContact O-N 3.5Å; L81-Q85 PolarHBondContact O-N 3.27Å
82P67.2Low61.5Low81 Ų81126.2 Ų126.253%0.52663%0.631SS.*Hα-helixtrans-66.6-34174.922.3-33.4000115Q85 E86P82-Q85 PolarHBondContact O-N 2.79Å; P82-E86 PolarHBondContact O-N 3.41Å; P82-E86 VanDerWaalsContact O-N 3.16Å
83E62.8Low64.1Low106 Ų106129 Ų12950%0.49563%0.63SS.*Hα-helixtrans-70.6-37.2177.2-74169142.200111.8S80 Q85 E86 E87S80-E83 PolarHBondContact N-OE2 2.97Å; S80-E83 PolarHBondContact O-N 3.23Å; S80-E83 PolarHBondContact OG-OE2 2.98Å; E83-Q85 VanDerWaalsContact C-N 3.31Å; E83-Q85 PolarHBondContact O-N 2.92Å; E83-E86 PolarHBondContact O-N 3.01Å; E83-E87 WeakPolarHBondContact O-CG 3.34Å; E83-E87 PolarHBondContact O-N 3.06Å
84L69.3Low66.7Low75 Ų75120.5 Ų120.539%0.39361%0.605SS.*Hα-helixtrans-62.5-39.4173.2-99164000111.6S80 E87 F88S80-L84 PolarHBondContact O-N 2.92Å; L84-E87 PolarHBondContact O-N 2.68Å; L84-F88 HydrophobicContact CD2-CE2 4.07Å; L84-F88 WeakPolarHBondContact O-CD2 2.92Å; L84-F88 PolarHBondContact O-N 2.9Å
85Q74.9Confident69.2Low114 Ų114119.7 Ų119.753%0.53360%0.595SS.*Hα-helixtrans-65.4-39.1177.3-168.5-179.1-18.400112.2L81 P82 E83 F88 K89L81-Q85 PolarHBondContact O-N 3.27Å; P82-Q85 PolarHBondContact O-N 2.79Å; E83-Q85 VanDerWaalsContact C-N 3.31Å; E83-Q85 PolarHBondContact O-N 2.92Å; Q85-F88 PolarHBondContact O-N 3.46Å; Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 3.17Å
86E79.8Confident71.7Confident104 Ų104115 Ų11549%0.48657%0.57SS.*Hα-helixtrans-67-39.6173.8-73.1-5513300112.4P82 E83 F88 K89 K90P82-E86 PolarHBondContact O-N 3.41Å; P82-E86 VanDerWaalsContact O-N 3.16Å; E83-E86 PolarHBondContact O-N 3.01Å; E86-F88 PolarHBondContact O-N 3.34Å; E86-K89 PolarHBondContact O-N 3.3Å; E86-K89 IonicContact OE1-NZ 2.75Å; E86-K89 PolarHBondContact OE1-NZ 3.3Å; E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 PolarHBondContact O-N 2.81Å
87E78Confident74Confident94 Ų94113.5 Ų113.544%0.43956%0.562SS.*Hα-helixtrans-62.2-42.1173-73.2-61.1145.200111.7E83 L84 K89 K90 V91E83-E87 WeakPolarHBondContact O-CG 3.34Å; E83-E87 PolarHBondContact O-N 3.06Å; L84-E87 PolarHBondContact O-N 2.68Å; E87-K89 PolarHBondContact O-N 2.9Å; E87-K90 PolarHBondContact O-N 2.94Å; E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.34Å
88F83Confident76.3Confident146 Ų146109 Ų10964%0.6454%0.535SS*.Hα-helixtrans-62.5-39.6174-79.4-62.4000112.9L84 Q85 E86 V91 R92L84-F88 HydrophobicContact CD2-CE2 4.07Å; L84-F88 WeakPolarHBondContact O-CD2 2.92Å; L84-F88 PolarHBondContact O-N 2.9Å; Q85-F88 PolarHBondContact O-N 3.46Å; E86-F88 PolarHBondContact O-N 3.34Å; F88-V91 PolarHBondContact O-N 3Å; F88-R92 WeakPolarHBondContact O-CB 3.34Å; F88-R92 PolarHBondContact O-N 3.19Å
89K86.9Confident78.6Confident93 Ų93103.4 Ų103.440%0.40451%0.513SS..Hα-helixtrans-62.1-43.9174.1-73.6176-172.5170.80111.3Q85 E86 E87 R92 L93Q85-K89 WeakPolarHBondContact O-CG 3.34Å; Q85-K89 PolarHBondContact O-N 3.17Å; E86-K89 PolarHBondContact O-N 3.3Å; E86-K89 IonicContact OE1-NZ 2.75Å; E86-K89 PolarHBondContact OE1-NZ 3.3Å; E87-K89 PolarHBondContact O-N 2.9Å; K89-R92 PolarHBondContact O-N 3.06Å; K89-L93 WeakPolarHBondContact O-CB 3.47Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.16Å
90K86.2Confident80.5Confident135 Ų135104.3 Ų104.359%0.58752%0.517SS*.Hα-helixtrans-63.2-42.2178-173.3179.9177.7-174.30112E86 E87 L93 C94E86-K90 WeakPolarHBondContact O-CB 3.44Å; E86-K90 PolarHBondContact O-N 2.81Å; E87-K90 PolarHBondContact O-N 2.94Å; K90-L93 PolarHBondContact O-N 2.96Å; K90-C94 VanDerWaalsContact O-CB 3.3Å; K90-C94 WeakPolarHBondContact O-CB 3.44Å; K90-C94 PolarHBondContact O-N 3.42Å
91V89.2Confident82.3Confident93 Ų93107.1 Ų107.156%0.56453%0.527SS*.Hα-helixtrans-62.8-45.3174.8171.80000110.9E87 F88 C94 F95E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.34Å; F88-V91 PolarHBondContact O-N 3Å; V91-C94 PolarHBondContact O-N 2.89Å; V91-F95 WeakPolarHBondContact O-CB 3.26Å; V91-F95 PolarHBondContact O-N 3.03Å
92R89Confident84Confident180 Ų180101.4 Ų101.468%0.67950%0.5SS*.Hα-helixtrans-61-47.3176.6-176.9177.8-81.8158-5.1111.6F88 K89 C94 F95 D96F88-R92 WeakPolarHBondContact O-CB 3.34Å; F88-R92 PolarHBondContact O-N 3.19Å; K89-R92 PolarHBondContact O-N 3.06Å; R92-C94 VanDerWaalsContact C-N 3.32Å; R92-C94 PolarHBondContact O-N 3.39Å; R92-F95 PolarHBondContact O-N 3.42Å; R92-D96 WeakPolarHBondContact O-CB 3.49Å; R92-D96 VanDerWaalsContact O-CG 3.24Å; R92-D96 PolarHBondContact O-N 2.87Å
93L88.2Confident85.1Confident120 Ų120102.1 Ų102.163%0.62850%0.499SS*.Hα-helixtrans-61.2-38.9176.7-75167.9000112.5K89 K90 S97K89-L93 WeakPolarHBondContact O-CB 3.47Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.16Å; K90-L93 PolarHBondContact O-N 2.96Å; L93-S97 VanDerWaalsContact O-CB 3.28Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 3.31Å
94C86Confident86.6Confident60 Ų60104.4 Ų104.441%0.40551%0.508SS..Hα-helixtrans-64.7-45.9175.5-176.70000111.5K90 V91 R92 S97 K98K90-C94 VanDerWaalsContact O-CB 3.3Å; K90-C94 WeakPolarHBondContact O-CB 3.44Å; K90-C94 PolarHBondContact O-N 3.42Å; V91-C94 PolarHBondContact O-N 2.89Å; R92-C94 VanDerWaalsContact C-N 3.32Å; R92-C94 PolarHBondContact O-N 3.39Å; C94-S97 PolarHBondContact O-N 2.93Å; C94-K98 WeakPolarHBondContact O-CB 3.4Å; C94-K98 WeakPolarHBondContact O-CG 3.5Å; C94-K98 PolarHBondContact O-N 3.07Å
95F92Very high87.7Confident125 Ų125107.6 Ų107.655%0.54852%0.521SS..Hα-helixtrans-60.3-49.9175.8176.5-95.5000111.4V91 R92 S97 K98 L99V91-F95 WeakPolarHBondContact O-CB 3.26Å; V91-F95 PolarHBondContact O-N 3.03Å; R92-F95 PolarHBondContact O-N 3.42Å; F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 3.22Å; F95-K98 PolarHBondContact O-N 3.27Å; F95-L99 HydrophobicContact CE1-CD2 3.86Å; F95-L99 HydrophobicContact CZ-CD2 4.15Å; F95-L99 VanDerWaalsContact O-CB 3.29Å; F95-L99 WeakPolarHBondContact O-CB 3.29Å; F95-L99 PolarHBondContact O-N 3.36Å
96D86.6Confident88.5Confident78 Ų78108.4 Ų108.442%0.41752%0.522SS..Hα-helixtrans-60.8-41.5-179.3-69.2-17.9000111.4R92 K100R92-D96 WeakPolarHBondContact O-CB 3.49Å; R92-D96 VanDerWaalsContact O-CG 3.24Å; R92-D96 PolarHBondContact O-N 2.87Å; D96-K100 WeakPolarHBondContact O-CB 3.45Å; D96-K100 PolarHBondContact O-N 2.63Å
97S89.2Confident89.2Confident79 Ų79108.3 Ų108.355%0.55253%0.525SS*.Hα-helixtrans-64-46.7176.7-174.90000112.1L93 C94 F95 K100 L101L93-S97 VanDerWaalsContact O-CB 3.28Å; L93-S97 WeakPolarHBondContact O-CB 3.47Å; L93-S97 PolarHBondContact O-N 3.31Å; C94-S97 PolarHBondContact O-N 2.93Å; F95-S97 VanDerWaalsContact C-N 3.31Å; F95-S97 PolarHBondContact O-N 3.22Å; S97-K100 PolarHBondContact O-N 3.12Å; S97-L101 WeakPolarHBondContact O-CB 3.32Å; S97-L101 PolarHBondContact O-N 2.72Å
98K90Very high89.9Confident66 Ų66107.3 Ų107.329%0.28753%0.528SS..Hα-helixtrans-66.1-42.2178.4-73.9-176.6-179.5-174.20112.3C94 F95 L101 A102 N299C94-K98 WeakPolarHBondContact O-CB 3.4Å; C94-K98 WeakPolarHBondContact O-CG 3.5Å; C94-K98 PolarHBondContact O-N 3.07Å; F95-K98 PolarHBondContact O-N 3.27Å; K98-L101 PolarHBondContact O-N 2.79Å; K98-A102 WeakPolarHBondContact O-CB 3.39Å; K98-A102 PolarHBondContact O-N 3.49Å; K98-N299 VanDerWaalsContact CE-OD1 3.27Å; K98-N299 WeakPolarHBondContact CE-OD1 3.08Å; K98-N299 PolarHBondContact NZ-ND2 3.11Å; K98-N299 PolarHBondContact NZ-OD1 2.82Å
99L92.5Very high90.3Very high76 Ų76107.8 Ų107.840%0.39853%0.53SS..Hα-helixtrans-62.4-46.4176.2-179.363.7000110.5F95 L101 A102 L103F95-L99 HydrophobicContact CE1-CD2 3.86Å; F95-L99 HydrophobicContact CZ-CD2 4.15Å; F95-L99 VanDerWaalsContact O-CB 3.29Å; F95-L99 WeakPolarHBondContact O-CB 3.29Å; F95-L99 PolarHBondContact O-N 3.36Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 3.04Å; L99-A102 PolarHBondContact O-N 3.23Å; L99-L103 HydrophobicContact CD1-CD1 4.17Å; L99-L103 HydrophobicContact CD1-CG 4.36Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 3.22Å
100K91.4Very high90.6Very high161 Ų161109.8 Ų109.870%0.754%0.536SS*.Hα-helixtrans-61.3-41.4177.1-174.8175.3-178.6176.50111.9D96 S97 K104D96-K100 WeakPolarHBondContact O-CB 3.45Å; D96-K100 PolarHBondContact O-N 2.63Å; S97-K100 PolarHBondContact O-N 3.12Å; K100-K104 VanDerWaalsContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CB 3.38Å; K100-K104 PolarHBondContact O-N 3.44Å
101L91.2Very high91Very high117 Ų117107.8 Ų107.861%0.61353%0.531SS*.Hα-helixtrans-66.2-46.9178.1-169.269.5000111.6S97 K98 L99 L103 K104 E105S97-L101 WeakPolarHBondContact O-CB 3.32Å; S97-L101 PolarHBondContact O-N 2.72Å; K98-L101 PolarHBondContact O-N 2.79Å; L99-L101 VanDerWaalsContact C-N 3.34Å; L99-L101 PolarHBondContact O-N 3.04Å; L101-L103 PolarHBondContact O-N 3.01Å; L101-K104 PolarHBondContact O-N 2.87Å; L101-E105 PolarHBondContact O-N 3.34Å
102A90.1Very high91.2Very high26 Ų26106.3 Ų106.322%0.21552%0.524CS..Hα-helixtrans-63.3-41.1178.500000112.3K98 L99 E105 K106 F297K98-A102 WeakPolarHBondContact O-CB 3.39Å; K98-A102 PolarHBondContact O-N 3.49Å; L99-A102 PolarHBondContact O-N 3.23Å; A102-E105 PolarHBondContact O-N 3.19Å; A102-K106 WeakPolarHBondContact O-CB 3.44Å; A102-K106 WeakPolarHBondContact O-CG 3.26Å; A102-K106 PolarHBondContact O-N 3.48Å; A102-F297 HydrophobicContact CB-CE1 3.95Å; A102-F297 HydrophobicContact CB-CZ 3.64Å
103L91.9Very high91.4Very high96 Ų96103.8 Ų103.850%0.50352%0.519SS..Hα-helixtrans-62.8-44.9173.3-75.9170.1000111.3L99 L101 E105 K106 L107L99-L103 HydrophobicContact CD1-CD1 4.17Å; L99-L103 HydrophobicContact CD1-CG 4.36Å; L99-L103 HydrophobicContact CG-CD1 3.99Å; L99-L103 WeakPolarHBondContact O-CB 3.29Å; L99-L103 VanDerWaalsContact O-CG 3.32Å; L99-L103 WeakPolarHBondContact O-CG 3.36Å; L99-L103 PolarHBondContact O-N 3.22Å; L101-L103 PolarHBondContact O-N 3.01Å; L103-E105 PolarHBondContact O-N 3.37Å; L103-K106 PolarHBondContact O-N 2.93Å; L103-L107 VanDerWaalsContact O-CB 3.28Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.35Å
104K93.6Very high91.7Very high155 Ų155103.1 Ų103.167%0.67452%0.515SS*.Hα-helixtrans-61.7-44.1177.9-173.2-178.3178.3-174.60111.7K100 L101 S108K100-K104 VanDerWaalsContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CB 3.38Å; K100-K104 PolarHBondContact O-N 3.44Å; L101-K104 PolarHBondContact O-N 2.87Å; K104-S108 WeakPolarHBondContact O-CB 2.94Å; K104-S108 PolarHBondContact O-N 2.86Å
105E93.2Very high92.1Very high141 Ų141105 Ų10566%0.65952%0.517SS*.Hα-helixtrans-63.8-47.3178.4-171.2-172.8162.200111.5L101 A102 L103 S108 K109L101-E105 PolarHBondContact O-N 3.34Å; A102-E105 PolarHBondContact O-N 3.19Å; L103-E105 PolarHBondContact O-N 3.37Å; E105-S108 PolarHBondContact O-N 3.43Å; E105-K109 PolarHBondContact O-N 2.98Å
106K90.9Very high92.1Very high131 Ų131102.6 Ų102.657%0.5751%0.513SS*.Hα-helixtrans-63.3-46.8177.9-73.1-69.8-174.8178.30111.9A102 L103 K109 Y110A102-K106 WeakPolarHBondContact O-CB 3.44Å; A102-K106 WeakPolarHBondContact O-CG 3.26Å; A102-K106 PolarHBondContact O-N 3.48Å; L103-K106 PolarHBondContact O-N 2.93Å; K106-K109 PolarHBondContact O-N 2.74Å; K106-Y110 WeakPolarHBondContact O-CD2 3.42Å; K106-Y110 PolarHBondContact O-N 3.46Å
107L94.6Very high92.5Very high102 Ų102101.6 Ų101.653%0.53451%0.51SS..Hα-helixtrans-62.9-43177.2-74.5166.7000111.4L103 K109 Y110 I111L103-L107 VanDerWaalsContact O-CB 3.28Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.19Å; L103-L107 PolarHBondContact O-N 3.35Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.42Å; L107-Y110 PolarHBondContact O-N 2.86Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.49Å
108S92.2Very high92.7Very high74 Ų74103.9 Ų103.952%0.51751%0.512SS..Hα-helixtrans-59.4-40.4175.8-175.80000112K104 E105 S112K104-S108 WeakPolarHBondContact O-CB 2.94Å; K104-S108 PolarHBondContact O-N 2.86Å; E105-S108 PolarHBondContact O-N 3.43Å; S108-S112 WeakPolarHBondContact O-CB 3.43Å; S108-S112 PolarHBondContact O-N 3.25Å
109K92Very high92.9Very high156 Ų156107.7 Ų107.768%0.67853%0.529SS*.Hα-helixtrans-65.6-43.4175.8-172.7176.2-178.6176.60111.8E105 K106 L107 S112 F113E105-K109 PolarHBondContact O-N 2.98Å; K106-K109 PolarHBondContact O-N 2.74Å; L107-K109 VanDerWaalsContact C-N 3.29Å; L107-K109 PolarHBondContact O-N 3.42Å; K109-S112 PolarHBondContact O-N 3.19Å; K109-F113 PolarHBondContact O-N 3.13Å
110Y93.7Very high93Very high135 Ų135107.9 Ų107.953%0.52953%0.533SS..Hα-helixtrans-64.3-44.2176.7-80.5-64.9000112.3K106 L107 S112 F113 I114K106-Y110 WeakPolarHBondContact O-CD2 3.42Å; K106-Y110 PolarHBondContact O-N 3.46Å; L107-Y110 PolarHBondContact O-N 2.86Å; Y110-S112 PolarHBondContact O-N 3.24Å; Y110-F113 PolarHBondContact O-N 3.34Å; Y110-I114 VanDerWaalsContact O-CG1 3.31Å; Y110-I114 WeakPolarHBondContact O-CG1 3.38Å; Y110-I114 PolarHBondContact O-N 2.71Å
111I94.7Very high93.1Very high92 Ų92104.3 Ų104.347%0.47252%0.524SS..Hα-helixtrans-60.4-46.9176.9-68.6166000110.3L107 F113 I114 E115L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.49Å; I111-F113 VanDerWaalsContact C-N 3.3Å; I111-F113 PolarHBondContact O-N 3.45Å; I111-I114 PolarHBondContact O-N 3.14Å; I111-I114 VanDerWaalsContact O-N 3.15Å; I111-E115 HydrophobicContact CG2-CG 4.41Å; I111-E115 WeakPolarHBondContact O-CG 3.5Å; I111-E115 PolarHBondContact O-N 3.08Å
112S92.7Very high93.2Very high62 Ų62102.7 Ų102.743%0.43452%0.519SS..Hα-helixtrans-61.2-37.3177.61780000113S108 K109 Y110 T116S108-S112 WeakPolarHBondContact O-CB 3.43Å; S108-S112 PolarHBondContact O-N 3.25Å; K109-S112 PolarHBondContact O-N 3.19Å; Y110-S112 PolarHBondContact O-N 3.24Å; S112-T116 WeakPolarHBondContact O-CB 3.34Å; S112-T116 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact O-OG1 3.37Å
113F93.9Very high93.4Very high127 Ų127103 Ų10356%0.55753%0.525SS*.Hα-helixtrans-67-41.8174.8-176.8-97.8000112K109 Y110 I111 T116 T117K109-F113 PolarHBondContact O-N 3.13Å; Y110-F113 PolarHBondContact O-N 3.34Å; I111-F113 VanDerWaalsContact C-N 3.3Å; I111-F113 PolarHBondContact O-N 3.45Å; F113-T116 PolarHBondContact O-N 2.72Å; F113-T117 WeakPolarHBondContact O-CB 3.47Å; F113-T117 PolarHBondContact O-N 2.93Å; F113-T117 PolarHBondContact O-OG1 3.5Å
114I94.3Very high93.6Very high106 Ų106103 Ų10354%0.54453%0.526SS..Hα-helixtrans-61.6-48175.2-68.5165.3000110.2Y110 I111 T116 T117 E118Y110-I114 VanDerWaalsContact O-CG1 3.31Å; Y110-I114 WeakPolarHBondContact O-CG1 3.38Å; Y110-I114 PolarHBondContact O-N 2.71Å; I111-I114 PolarHBondContact O-N 3.14Å; I111-I114 VanDerWaalsContact O-N 3.15Å; I114-T116 VanDerWaalsContact C-N 3.29Å; I114-T116 PolarHBondContact O-N 3.26Å; I114-T117 PolarHBondContact O-N 3.34Å; I114-T117 VanDerWaalsContact O-N 3.15Å; I114-E118 WeakPolarHBondContact O-CB 3.43Å; I114-E118 PolarHBondContact O-N 3.45Å
115E93.2Very high93.8Very high99 Ų99103.1 Ų103.146%0.46353%0.526SS..Hα-helixtrans-60.4-37.8177.1-72.3175.9-18000112.5I111 K119I111-E115 HydrophobicContact CG2-CG 4.41Å; I111-E115 WeakPolarHBondContact O-CG 3.5Å; I111-E115 PolarHBondContact O-N 3.08Å; E115-K119 WeakPolarHBondContact O-CG 3.48Å; E115-K119 PolarHBondContact O-N 3.12Å; E115-K119 VanDerWaalsContact O-N 3.09Å
116T93Very high93.9Very high76 Ų76102.5 Ų102.547%0.46652%0.523SS..Hα-helixtrans-67-42.9176.3-57.30000110.8S112 F113 I114 K119 T120S112-T116 WeakPolarHBondContact O-CB 3.34Å; S112-T116 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact O-OG1 3.37Å; F113-T116 PolarHBondContact O-N 2.72Å; I114-T116 VanDerWaalsContact C-N 3.29Å; I114-T116 PolarHBondContact O-N 3.26Å; T116-K119 PolarHBondContact O-N 3.14Å; T116-T120 PolarHBondContact O-N 3.27Å; T116-T120 VanDerWaalsContact O-N 3.07Å
117T93.4Very high94.1Very high57 Ų57102.2 Ų102.235%0.3552%0.524SS..Hα-helixtrans-67.5-37.7177.8-52.80000111.4F113 I114 K119 T120 V121F113-T117 WeakPolarHBondContact O-CB 3.47Å; F113-T117 PolarHBondContact O-N 2.93Å; F113-T117 PolarHBondContact O-OG1 3.5Å; I114-T117 PolarHBondContact O-N 3.34Å; I114-T117 VanDerWaalsContact O-N 3.15Å; T117-K119 VanDerWaalsContact C-N 3.34Å; T117-K119 PolarHBondContact O-N 3.41Å; T117-T120 WeakPolarHBondContact CA-OG1 3.36Å; T117-T120 PolarHBondContact O-N 2.94Å; T117-T120 PolarHBondContact O-OG1 3.36Å; T117-V121 WeakPolarHBondContact O-CB 3.4Å; T117-V121 VanDerWaalsContact O-CG2 3.26Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.29Å
118E94.1Very high94.2Very high127 Ų127102.5 Ų102.559%0.59353%0.525SS*.Hα-helixtrans-62.1-43.6174.6-171.7178.2179.700110.9I114 T120 V121 T122I114-E118 WeakPolarHBondContact O-CB 3.43Å; I114-E118 PolarHBondContact O-N 3.45Å; E118-T120 PolarHBondContact O-N 2.78Å; E118-V121 PolarHBondContact O-N 3.49Å; E118-T122 WeakPolarHBondContact O-CG2 3.25Å; E118-T122 PolarHBondContact O-N 3Å; E118-T122 PolarHBondContact O-OG1 3.04Å
119K94.9Very high94.4Very high146 Ų146102.4 Ų102.464%0.63552%0.524SS*.Hα-helixtrans-60-45.1174.6-74.1172.2-176.61720112.3E115 T116 T117 V121 T122 G123E115-K119 WeakPolarHBondContact O-CG 3.48Å; E115-K119 PolarHBondContact O-N 3.12Å; E115-K119 VanDerWaalsContact O-N 3.09Å; T116-K119 PolarHBondContact O-N 3.14Å; T117-K119 VanDerWaalsContact C-N 3.34Å; T117-K119 PolarHBondContact O-N 3.41Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-V121 PolarHBondContact O-N 3.26Å; K119-T122 WeakPolarHBondContact CA-OG1 3.41Å; K119-T122 PolarHBondContact O-N 2.8Å; K119-T122 PolarHBondContact O-OG1 2.99Å; K119-G123 PolarHBondContact O-N 2.94Å
120T93.4Very high94.6Very high79 Ų79101.3 Ų101.349%0.48552%0.521SS..Hα-helixtrans-65.4-39.2177.958.20000111.8T116 T117 E118 T122 G123 L124T116-T120 PolarHBondContact O-N 3.27Å; T116-T120 VanDerWaalsContact O-N 3.07Å; T117-T120 WeakPolarHBondContact CA-OG1 3.36Å; T117-T120 PolarHBondContact O-N 2.94Å; T117-T120 PolarHBondContact O-OG1 3.36Å; E118-T120 PolarHBondContact O-N 2.78Å; T120-T122 PolarHBondContact O-N 3.09Å; T120-G123 PolarHBondContact O-N 3.22Å; T120-L124 WeakPolarHBondContact O-CG 3.48Å; T120-L124 PolarHBondContact O-N 2.92Å
121V94.7Very high94.7Very high86 Ų86100.2 Ų100.252%0.52152%0.524SS..Hα-helixtrans-62-41.9174.21700000111.3T117 E118 K119 G123 L124 K125T117-V121 WeakPolarHBondContact O-CB 3.4Å; T117-V121 VanDerWaalsContact O-CG2 3.26Å; T117-V121 WeakPolarHBondContact O-CG2 3.35Å; T117-V121 PolarHBondContact O-N 3.29Å; E118-V121 PolarHBondContact O-N 3.49Å; K119-V121 VanDerWaalsContact C-N 3.35Å; K119-V121 PolarHBondContact O-N 3.26Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 3.18Å; V121-L124 PolarHBondContact O-N 3.02Å; V121-K125 WeakPolarHBondContact O-CB 3.02Å; V121-K125 PolarHBondContact O-N 3.07Å
122T93.7Very high94.8Very high83 Ų8399.2 Ų99.251%0.50952%0.522SS..Hα-helixtrans-64.9-36.4175.259.40000112.8E118 K119 T120 K125 E126E118-T122 WeakPolarHBondContact O-CG2 3.25Å; E118-T122 PolarHBondContact O-N 3Å; E118-T122 PolarHBondContact O-OG1 3.04Å; K119-T122 WeakPolarHBondContact CA-OG1 3.41Å; K119-T122 PolarHBondContact O-N 2.8Å; K119-T122 PolarHBondContact O-OG1 2.99Å; T120-T122 PolarHBondContact O-N 3.09Å; T122-K125 WeakPolarHBondContact O-CB 3.45Å; T122-K125 PolarHBondContact O-N 3.05Å; T122-E126 PolarHBondContact O-N 3.22Å; T122-E126 VanDerWaalsContact O-N 3.14Å
123G94.1Very high95Very high33 Ų3398.2 Ų98.234%0.3452%0.522SS..Hα-helixtrans-64.8-48.2174.100000112.4K119 T120 V121 K125 E126 E127K119-G123 PolarHBondContact O-N 2.94Å; T120-G123 PolarHBondContact O-N 3.22Å; V121-G123 VanDerWaalsContact C-N 3.34Å; V121-G123 PolarHBondContact O-N 3.18Å; G123-K125 VanDerWaalsContact C-N 3.26Å; G123-K125 PolarHBondContact O-N 3.09Å; G123-E126 WeakPolarHBondContact O-CB 3.35Å; G123-E126 PolarHBondContact O-N 3.2Å; G123-E126 VanDerWaalsContact O-N 3.12Å; G123-E127 PolarHBondContact O-N 3.28Å
124L96.1Very high95.1Very high97 Ų9799.9 Ų99.951%0.50852%0.524SS..Hα-helixtrans-60.8-36.6175.7-70.5174.4000112T120 V121 E126 E127 I128T120-L124 WeakPolarHBondContact O-CG 3.48Å; T120-L124 PolarHBondContact O-N 2.92Å; V121-L124 PolarHBondContact O-N 3.02Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.28Å; L124-E127 PolarHBondContact O-N 2.67Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 2.76Å
125K96.3Very high95.2Very high156 Ų156101 Ų10168%0.67853%0.529SS*.Hα-helixtrans-62.3-40.9175.2-175.7-178.3176.7-174.90112V121 T122 G123 S129V121-K125 WeakPolarHBondContact O-CB 3.02Å; V121-K125 PolarHBondContact O-N 3.07Å; T122-K125 WeakPolarHBondContact O-CB 3.45Å; T122-K125 PolarHBondContact O-N 3.05Å; G123-K125 VanDerWaalsContact C-N 3.26Å; G123-K125 PolarHBondContact O-N 3.09Å; K125-S129 WeakPolarHBondContact O-CB 3.46Å; K125-S129 PolarHBondContact O-N 3.19Å
126E95.6Very high95.4Very high129 Ų129100.6 Ų100.660%0.60353%0.53SS*.Hα-helixtrans-66.1-43.2176.1-175.258.4-153.900111.4T122 G123 L124 I128 S129 Q130T122-E126 PolarHBondContact O-N 3.22Å; T122-E126 VanDerWaalsContact O-N 3.14Å; G123-E126 WeakPolarHBondContact O-CB 3.35Å; G123-E126 PolarHBondContact O-N 3.2Å; G123-E126 VanDerWaalsContact O-N 3.12Å; L124-E126 VanDerWaalsContact C-N 3.34Å; L124-E126 PolarHBondContact O-N 3.28Å; E126-I128 PolarHBondContact O-N 3.21Å; E126-S129 WeakPolarHBondContact O-CB 3.36Å; E126-S129 PolarHBondContact O-N 3.14Å; E126-Q130 PolarHBondContact O-N 3.4Å
127E96.2Very high95.5Very high125 Ų125103.9 Ų103.958%0.58454%0.538SS*.Hα-helixtrans-61.5-42.5176-70-176.7-173.400112.3G123 L124 S129 Q130 L131G123-E127 PolarHBondContact O-N 3.28Å; L124-E127 PolarHBondContact O-N 2.67Å; E127-S129 VanDerWaalsContact C-N 3.33Å; E127-S129 PolarHBondContact O-N 3.16Å; E127-Q130 PolarHBondContact O-N 2.6Å; E127-L131 WeakPolarHBondContact O-CB 3.18Å; E127-L131 PolarHBondContact O-N 2.8Å
128I96.8Very high95.7Very high107 Ų107106.4 Ų106.455%0.54955%0.548SS..Hα-helixtrans-63.6-40.2175.4-70.7167.8000110.9L124 E126 L131 T132L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 2.76Å; E126-I128 PolarHBondContact O-N 3.21Å; I128-L131 PolarHBondContact O-N 2.97Å; I128-T132 WeakPolarHBondContact O-CB 3.27Å; I128-T132 PolarHBondContact O-N 2.92Å; I128-T132 PolarHBondContact O-OG1 3.28Å
129S94.8Very high95.8Very high73 Ų73104.9 Ų104.951%0.5154%0.541SS..Hα-helixtrans-60.9-47175.7-173.30000111.3K125 E126 E127 L131 T132 G133K125-S129 WeakPolarHBondContact O-CB 3.46Å; K125-S129 PolarHBondContact O-N 3.19Å; E126-S129 WeakPolarHBondContact O-CB 3.36Å; E126-S129 PolarHBondContact O-N 3.14Å; E127-S129 VanDerWaalsContact C-N 3.33Å; E127-S129 PolarHBondContact O-N 3.16Å; S129-L131 PolarHBondContact O-N 2.86Å; S129-T132 PolarHBondContact O-N 3.48Å; S129-G133 PolarHBondContact O-N 2.89Å
130Q96.1Very high95.7Very high132 Ų132100.9 Ų100.962%0.61753%0.532SS*.Hα-helixtrans-62.8-43.1176.5-172-177.157.200112.1E126 E127 T132 G133 R134E126-Q130 PolarHBondContact O-N 3.4Å; E127-Q130 PolarHBondContact O-N 2.6Å; Q130-T132 VanDerWaalsContact C-N 3.33Å; Q130-G133 PolarHBondContact O-N 3.48Å; Q130-R134 WeakPolarHBondContact O-CG 3.49Å; Q130-R134 PolarHBondContact O-N 3.49Å; Q130-R134 VanDerWaalsContact O-N 3.11Å
131L97.3Very high95.8Very high112 Ų11299.5 Ų99.559%0.58653%0.525SS*.Hα-helixtrans-64-40.1177.8-176.361.3000111.6E127 I128 S129 R134 M135E127-L131 WeakPolarHBondContact O-CB 3.18Å; E127-L131 PolarHBondContact O-N 2.8Å; I128-L131 PolarHBondContact O-N 2.97Å; S129-L131 PolarHBondContact O-N 2.86Å; L131-R134 PolarHBondContact O-N 2.89Å; L131-M135 PolarHBondContact O-N 3.44Å
132T96.5Very high95.8Very high71 Ų7198.5 Ų98.544%0.43652%0.522SS..Hα-helixtrans-60.1-47.6175.2-56.40000110.6I128 S129 Q130 R134 M135 D136I128-T132 WeakPolarHBondContact O-CB 3.27Å; I128-T132 PolarHBondContact O-N 2.92Å; I128-T132 PolarHBondContact O-OG1 3.28Å; S129-T132 PolarHBondContact O-N 3.48Å; Q130-T132 VanDerWaalsContact C-N 3.33Å; T132-R134 VanDerWaalsContact C-N 3.28Å; T132-R134 PolarHBondContact O-N 3.28Å; T132-M135 WeakPolarHBondContact O-CB 3.41Å; T132-M135 PolarHBondContact O-N 2.94Å; T132-D136 PolarHBondContact O-N 3.21Å
133G95.7Very high95.8Very high41 Ų41100.3 Ų100.342%0.42352%0.523SS..Hα-helixtrans-61.1-33.9176.500000113.8S129 Q130 F137S129-G133 PolarHBondContact O-N 2.89Å; Q130-G133 PolarHBondContact O-N 3.48Å; G133-F137 PolarHBondContact O-N 2.67Å; G133-F137 VanDerWaalsContact O-N 3.16Å
134R97Very high95.7Very high162 Ų162103.3 Ų103.361%0.61153%0.531SS*.Hα-helixtrans-69.8-39.3173.6-69.7174.465.9178.10112.1Q130 L131 T132 F137 I138Q130-R134 WeakPolarHBondContact O-CG 3.49Å; Q130-R134 PolarHBondContact O-N 3.49Å; Q130-R134 VanDerWaalsContact O-N 3.11Å; L131-R134 PolarHBondContact O-N 2.89Å; T132-R134 VanDerWaalsContact C-N 3.28Å; T132-R134 PolarHBondContact O-N 3.28Å; R134-F137 PolarHBondContact O-N 2.79Å; R134-I138 VanDerWaalsContact O-CG1 3.29Å; R134-I138 WeakPolarHBondContact O-CG1 3.46Å; R134-I138 PolarHBondContact O-N 2.88Å
135M97.1Very high95.5Very high130 Ų130103.6 Ų103.664%0.6453%0.532SS*.Hα-helixtrans-60.6-47.7175.5-170.881.6160.300110.6L131 T132 F137 I138 E139L131-M135 PolarHBondContact O-N 3.44Å; T132-M135 WeakPolarHBondContact O-CB 3.41Å; T132-M135 PolarHBondContact O-N 2.94Å; M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 PolarHBondContact O-N 2.73Å; M135-I138 PolarHBondContact O-N 3.24Å; M135-E139 PolarHBondContact O-N 2.88Å
136D96Very high95.2Very high91 Ų9199.5 Ų99.549%0.48752%0.521SS..Hα-helixtrans-60.7-41.2178.4-67.1-22.4000111.9T132 E139 S140T132-D136 PolarHBondContact O-N 3.21Å; D136-E139 PolarHBondContact O-N 3Å; D136-S140 WeakPolarHBondContact O-CB 3.3Å; D136-S140 PolarHBondContact O-N 2.76Å
137F96Very high94.9Very high145 Ų14599 Ų9964%0.63652%0.517SS*.Hα-helixtrans-63.7-42.3176.3-176.7-92.4000112.4G133 R134 M135 S140 S141G133-F137 PolarHBondContact O-N 2.67Å; G133-F137 VanDerWaalsContact O-N 3.16Å; R134-F137 PolarHBondContact O-N 2.79Å; M135-F137 VanDerWaalsContact C-N 3.33Å; M135-F137 PolarHBondContact O-N 2.73Å; F137-S140 PolarHBondContact O-N 2.85Å; F137-S141 WeakPolarHBondContact O-CB 3.45Å; F137-S141 PolarHBondContact O-N 2.96Å; F137-S141 PolarHBondContact O-OG 3.02Å
138I96.8Very high94.4Very high110 Ų11097.9 Ų97.956%0.56451%0.514SS*.Hα-helixtrans-64.8-42.4176.1-68.7165.9000110.2R134 M135 S141 S142R134-I138 VanDerWaalsContact O-CG1 3.29Å; R134-I138 WeakPolarHBondContact O-CG1 3.46Å; R134-I138 PolarHBondContact O-N 2.88Å; M135-I138 PolarHBondContact O-N 3.24Å; I138-S141 PolarHBondContact O-N 3.32Å; I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 2.89Å
139E95.8Very high93.9Very high94 Ų9498 Ų9844%0.43952%0.515SS..Hα-helixtrans-62.7-44.2177.4-168.2-174.3152.500111.5M135 D136 S142 K143M135-E139 PolarHBondContact O-N 2.88Å; D136-E139 PolarHBondContact O-N 3Å; E139-S142 WeakPolarHBondContact O-CB 3.47Å; E139-S142 PolarHBondContact O-N 3.22Å; E139-K143 WeakPolarHBondContact O-CG 3.36Å; E139-K143 PolarHBondContact O-N 2.94Å; E139-K143 VanDerWaalsContact OE1-CE 3.26Å; E139-K143 WeakPolarHBondContact OE1-CE 3.28Å; E139-K143 IonicContact OE1-NZ 2.68Å; E139-K143 PolarHBondContact OE1-NZ 2.91Å
140S94.8Very high93.2Very high63 Ų63100.7 Ų100.744%0.44152%0.523SS..Hα-helixtrans-60.4-46.3174.3-168.10000111.5D136 F137 S142 K143 D144D136-S140 WeakPolarHBondContact O-CB 3.3Å; D136-S140 PolarHBondContact O-N 2.76Å; F137-S140 PolarHBondContact O-N 2.85Å; S140-S142 VanDerWaalsContact C-N 3.28Å; S140-S142 PolarHBondContact O-N 2.83Å; S140-K143 PolarHBondContact O-N 2.91Å; S140-D144 PolarHBondContact O-N 2.89Å
141S94.7Very high92.1Very high50 Ų50100.4 Ų100.435%0.3552%0.522SS..Hα-helixtrans-61.6-36.4178.6-59.10000112.2F137 I138 L145F137-S141 WeakPolarHBondContact O-CB 3.45Å; F137-S141 PolarHBondContact O-N 2.96Å; F137-S141 PolarHBondContact O-OG 3.02Å; I138-S141 PolarHBondContact O-N 3.32Å; S141-L145 WeakPolarHBondContact O-CB 3.49Å; S141-L145 PolarHBondContact O-N 2.71Å
142S94.1Very high90.4Very high65 Ų65104.7 Ų104.746%0.45553%0.53SS..Hα-helixtrans-66.6-41.4175.5-177.20000112.2I138 E139 S140 L145 T146I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 2.89Å; E139-S142 WeakPolarHBondContact O-CB 3.47Å; E139-S142 PolarHBondContact O-N 3.22Å; S140-S142 VanDerWaalsContact C-N 3.28Å; S140-S142 PolarHBondContact O-N 2.83Å; S142-L145 PolarHBondContact O-N 2.63Å; S142-T146 WeakPolarHBondContact O-CB 3.48Å; S142-T146 PolarHBondContact O-N 3.47Å; S142-T146 PolarHBondContact O-OG1 3.23Å
143K93.7Very high88.7Confident121 Ų121107.8 Ų107.853%0.52654%0.543SS..Hα-helixtrans-63.3-43.5175.2-72.1172.3-175.51640111.5E139 S140 T146 K147E139-K143 WeakPolarHBondContact O-CG 3.36Å; E139-K143 PolarHBondContact O-N 2.94Å; E139-K143 VanDerWaalsContact OE1-CE 3.26Å; E139-K143 WeakPolarHBondContact OE1-CE 3.28Å; E139-K143 IonicContact OE1-NZ 2.68Å; E139-K143 PolarHBondContact OE1-NZ 2.91Å; S140-K143 PolarHBondContact O-N 2.91Å; K143-T146 PolarHBondContact O-N 2.94Å; K143-K147 PolarHBondContact O-N 2.85Å
144D92.1Very high86.8Confident95 Ų95111.7 Ų111.751%0.50856%0.561SS.*Hα-helixtrans-63.2-42.7176.7-72.1-23.7000112S140 K147 L148S140-D144 PolarHBondContact O-N 2.89Å; D144-K147 PolarHBondContact O-N 2.81Å; D144-L148 PolarHBondContact O-N 2.93Å
145L92.7Very high84.8Confident103 Ų103111.5 Ų111.554%0.53957%0.571SS.*Hα-helixtrans-62.8-42.6174.6-177.464.6000111.8S141 S142 K147 L148 I149S141-L145 WeakPolarHBondContact O-CB 3.49Å; S141-L145 PolarHBondContact O-N 2.71Å; S142-L145 PolarHBondContact O-N 2.63Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 2.81Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 3.32Å; L145-I149 HydrophobicContact CD1-CD1 4.5Å; L145-I149 HydrophobicContact CG-CD1 4.1Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.19Å
146T89.4Confident82.8Confident71 Ų71110.9 Ų110.944%0.43658%0.577SS.*Hα-helixtrans-62.4-41.1177.5-57.20000111.1S142 K143 I149 N150S142-T146 WeakPolarHBondContact O-CB 3.48Å; S142-T146 PolarHBondContact O-N 3.47Å; S142-T146 PolarHBondContact O-OG1 3.23Å; K143-T146 PolarHBondContact O-N 2.94Å; T146-I149 PolarHBondContact O-N 3.05Å; T146-N150 PolarHBondContact O-N 3.45Å
147K89.3Confident81Confident119 Ų119110.3 Ų110.352%0.51758%0.584SS.*Hα-helixtrans-61.6-45.1173.9-174.3-178.9174.7-175.10111.5K143 D144 L145 I149 N150 E151K143-K147 PolarHBondContact O-N 2.85Å; D144-K147 PolarHBondContact O-N 2.81Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 2.81Å; K147-I149 VanDerWaalsContact C-N 3.31Å; K147-I149 PolarHBondContact O-N 2.82Å; K147-N150 PolarHBondContact O-N 2.85Å; K147-E151 WeakPolarHBondContact CE-OE1 3.31Å; K147-E151 HydrophobicContact CG-CG 4.28Å; K147-E151 IonicContact NZ-OE1 3.88Å; K147-E151 WeakPolarHBondContact O-CB 3.42Å; K147-E151 WeakPolarHBondContact O-CG 3.35Å; K147-E151 PolarHBondContact O-N 2.77Å
148L86.7Confident79Confident101 Ų101109 Ų10953%0.52959%0.591SS.*Hα-helixtrans-61.2-37.1176.4-84.3163.6000113.1D144 L145 R152D144-L148 PolarHBondContact O-N 2.93Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 3.32Å; L148-R152 WeakPolarHBondContact O-CB 3.16Å; L148-R152 WeakPolarHBondContact O-CG 3.08Å; L148-R152 PolarHBondContact O-N 2.78Å; L148-R152 VanDerWaalsContact O-N 3.1Å
149I85.5Confident77.1Confident110 Ų110110.1 Ų110.156%0.56460%0.603SS**Hα-helixtrans-68.5-44176.8-68.4165.2000110.4L145 T146 K147L145-I149 HydrophobicContact CD1-CD1 4.5Å; L145-I149 HydrophobicContact CG-CD1 4.1Å; L145-I149 WeakPolarHBondContact O-CG1 3.26Å; L145-I149 PolarHBondContact O-N 3.19Å; T146-I149 PolarHBondContact O-N 3.05Å; K147-I149 VanDerWaalsContact C-N 3.31Å; K147-I149 PolarHBondContact O-N 2.82Å
150N80.6Confident75Confident128 Ų128113.5 Ų113.568%0.68462%0.624SS**Hα-helixtrans-71.9-33.2179.9-70.7-19000113T146 K147T146-N150 PolarHBondContact O-N 3.45Å; K147-N150 PolarHBondContact O-N 2.85Å
151E72.7Confident73Confident127 Ų127113.5 Ų113.559%0.59363%0.634SS**Hα-helixtrans-83.4-13.3178.2-74.7-173.5174.900113.6K147 I153K147-E151 WeakPolarHBondContact CE-OE1 3.31Å; K147-E151 HydrophobicContact CG-CG 4.28Å; K147-E151 IonicContact NZ-OE1 3.88Å; K147-E151 WeakPolarHBondContact O-CB 3.42Å; K147-E151 WeakPolarHBondContact O-CG 3.35Å; K147-E151 PolarHBondContact O-N 2.77Å; E151-I153 PolarHBondContact O-N 2.71Å
152R61.8Low70.7Confident202 Ų202119.6 Ų119.676%0.76266%0.661SS**SBendtrans-71.983.7170.7-87.1-169-176.8-162.54.2110.6L148L148-R152 WeakPolarHBondContact O-CB 3.16Å; L148-R152 WeakPolarHBondContact O-CG 3.08Å; L148-R152 PolarHBondContact O-N 2.78Å; L148-R152 VanDerWaalsContact O-N 3.1Å
153I60.8Low68.3Low135 Ų135119.5 Ų119.569%0.69267%0.67SS**  trans39.3113.5137.3-53.6164.4000114.1E151 L155E151-I153 PolarHBondContact O-N 2.71Å; I153-L155 PolarHBondContact O-N 3.35Å
154P55.4Low66.3Low123 Ų123121.3 Ų121.380%0.79968%0.68SS**PPolyproline II helixtrans-53.3119.7166.6-15.827.4000108.1
155L54.9Low63.9Low158 Ų158122.9 Ų122.983%0.82770%0.699SS**PPolyproline II helixtrans-48.7129.6171.4-72.7165000107.5I153 A157I153-L155 PolarHBondContact O-N 3.35Å; L155-A157 PolarHBondContact O-N 3.28Å
156P54.6Low62Low117 Ų117127.6 Ų127.676%0.7671%0.71SS**PPolyproline II helixtrans-55.1129177.921.5-30.4000108.1
157A59.8Low60.2Low79 Ų79130.5 Ų130.565%0.65373%0.727SS**PPolyproline II helixtrans-51.4141.1178.200000109.2L155 T159L155-A157 PolarHBondContact O-N 3.28Å; A157-T159 PolarHBondContact O-N 3.22Å
158P53.7Low58Low118 Ų118133.7 Ų133.777%0.76675%0.749SS**  trans-61.1110.3177.9-9.222.7000107.4D160P158-D160 PolarHBondContact O-N 3.08Å
159T57Low56.1Low134 Ų134134.1 Ų134.182%0.82276%0.761SS**  trans-68.7115.9171.7-480000106.8A157 G161A157-T159 PolarHBondContact O-N 3.22Å; T159-G161 PolarHBondContact O-N 3.5Å
160D51.1Low54.5Low165 Ų165134.2 Ų134.288%0.88277%0.771SS**  trans-6279.7168.7-76.1-44.4000109.6P158P158-D160 PolarHBondContact O-N 3.08Å
161G51.6Low52.9Low63 Ų63137.2 Ų137.265%0.64978%0.781SS**  trans-109.589.6179.800000110T159 G163T159-G161 PolarHBondContact O-N 3.5Å; G161-G163 PolarHBondContact O-N 2.68Å
162I48Very low51.9Low178 Ų178135.3 Ų135.391%0.91379%0.787SS**  trans-53.7122.2168.2-72.8159.4000109.8
163G43.1Very low51.6Low63 Ų63132.1 Ų132.165%0.64979%0.792SS**  trans90.2104.9153.300000116.4G161G161-G163 PolarHBondContact O-N 2.68Å
164Q50.6Low50.9Low159 Ų159137.3 Ų137.374%0.74380%0.803SS**  179.8108.2112.8-95.3176.813.400109.8R166Q164-R166 PolarHBondContact O-N 2.75Å
165S42.7Very low50.9Low128 Ų128139 Ų13990%0.89580%0.804SS**  trans-57.7117.3166.8-54.90000110.2
166R53Low50.6Low202 Ų202137.5 Ų137.576%0.76280%0.804SS**  trans-136.9102.4163.9-72.9-168.9-179.6167.13.1111.1Q164Q164-R166 PolarHBondContact O-N 2.75Å
167T50.8Low50Low131 Ų131140.3 Ų140.380%0.80481%0.812SS**  trans34.1109.214252.80000118.5S169T167-S169 PolarHBondContact O-N 2.8Å; T167-S169 VanDerWaalsContact O-N 3.12Å
168L43.2Very low49.2Very low186 Ų186142 Ų14297%0.97482%0.819SS**  trans-52108.7162.9-67.8165.6000110.3
169S47.3Very low48.8Very low111 Ų111140.5 Ų140.578%0.77681%0.811SS**  trans-104.9111170.2-170.90000109.4T167T167-S169 PolarHBondContact O-N 2.8Å; T167-S169 VanDerWaalsContact O-N 3.12Å
170S51.3Low48.3Very low111 Ų111142.9 Ų142.978%0.77681%0.813SS**  trans-72.5113177.451.50000111.5
171Q47.5Very low48.1Very low192 Ų192140.5 Ų140.590%0.89781%0.809SS**  trans-154.479.9161.9-111.31693.900109.9
172A52.4Low47.8Very low87 Ų87142.9 Ų142.972%0.71981%0.813SS**  trans-108.7128.9163.700000108.3R174A172-R174 PolarHBondContact O-N 2.81Å
173P54.4Low47.5Very low134 Ų134141.3 Ų141.387%0.8781%0.805SS**PPolyproline II helixtrans-63.7125.1-179.2-18.630.7000111.5
174R47.6Very low47.4Very low245 Ų245145.3 Ų145.393%0.92582%0.817SS**PPolyproline II helixtrans-77.2123.4178.2-72.9178168.7-108.30.7110.7A172A172-R174 PolarHBondContact O-N 2.81Å
175L54.3Low47Very low157 Ų157142.4 Ų142.482%0.82281%0.814SS**PPolyproline II helixtrans-82.9140.4162.7-71.3165.5000109.7L177L175-L177 PolarHBondContact O-N 2.86Å
176P48.7Very low46.9Very low127 Ų127141 Ų14183%0.82581%0.81SS**PPolyproline II helixtrans-79.3121.7-177.329.6-30.5000111.5
177L42Very low46.8Very low176 Ų176137.6 Ų137.692%0.92182%0.815SS**PPolyproline II helixtrans-85.4122.5164.6-84.591.7000109.4L175L175-L177 PolarHBondContact O-N 2.86Å
178S43.6Very low46Very low115 Ų115139 Ų13980%0.80482%0.817SS**PPolyproline II helixtrans-97127.1161.3-1780000109.2
179S44.1Very low45.9Very low87 Ų87141.3 Ų141.361%0.60881%0.813SS**PPolyproline II helixtrans-52.2139.6176.8470000114.1
180H46.8Very low45.4Very low184 Ų184140 Ų14085%0.85280%0.803SS**  -179.5107.2119.5-80.5-57.2000109.4
181S46.7Very low44.6Very low115 Ų115142.8 Ų142.880%0.80481%0.807SS**  trans-80.4179.7161.9-46.80000109
182P46.2Very low44.1Very low112 Ų112143 Ų14373%0.72781%0.808SS**  cis-154.5177.818.243.6-21.2000119.4
183L41.8Very low43.1Very low145 Ų145144.7 Ų144.776%0.75981%0.809SS**  trans66118.1140.6-120.972.6000120.6
184V41.2Very low42.5Very low148 Ų148145 Ų14590%0.89781%0.808SS**  -152.8133.6108.1173.20000109
185S42.3Very low41.9Very low97 Ų97140.3 Ų140.368%0.67880%0.802SS**  trans-90.1150.3-173.6-48.50000113.1
186A39Very low41.1Very low99 Ų99138 Ų13882%0.81880%0.795SS**  trans-110.4149157.600000109.5
187P52.4Low40.5Very low131 Ų131139.9 Ų139.985%0.85180%0.798SS**  trans-120.8135.6160.534.1-20.3000112.7
188D33.5Very low40.2Very low160 Ų160138.4 Ų138.486%0.85679%0.791SS**  trans-83.2138.5167.6-133.7-23.1000110
189R39.9Very low39.7Very low234 Ų234143.7 Ų143.788%0.88379%0.793SS**  trans-174.1113.2142.2-120.3-174.2164.4166.2-4.7115.4
190S36.7Very low39.2Very low83 Ų83147.4 Ų147.458%0.5880%0.801SS**  60.5119.9124.271.10000123
191M35.3Very low38.7Very low171 Ų171144.2 Ų144.284%0.84280%0.797SS**  70.2108.3125.4-61.5-73-114.700119.8
192Q37.1Very low38.1Very low197 Ų197146.2 Ų146.292%0.92180%0.798SS**  -162.9124.1120.9-115.5168.719.400113.1
193T32.3Very low37.5Very low122 Ų122148.8 Ų148.875%0.74881%0.805SS**  trans-81.5125.9170.4-58.10000110
194V40.8Very low36.9Very low139 Ų139148.7 Ų148.784%0.84281%0.811SS**  trans-145.7141.3152.5-175.80000110
195N35.7Very low36.5Very low148 Ų148146.7 Ų146.779%0.79180%0.803SS**  trans-66.2171.1-161.9-95.6-18.8000119.3
196P38Very low36Very low107 Ų107147.7 Ų147.770%0.69581%0.81SS**  trans-102.7147.1-16738.4-30000114
197L34.9Very low35.8Very low168 Ų168149.9 Ų149.988%0.8881%0.808SS**  trans-175.9127147-148.566.9000112.2
198N36.3Very low34.7Very low144 Ų144149.2 Ų149.277%0.7781%0.807SS**  trans127.497.1160.2-89.5-20.8000111.6
199R33.1Very low34.5Very low226 Ų226148.1 Ų148.185%0.85381%0.806SS**  68.398.871.6-161.9-173.1-84.8-119.25.8111.9
200Q33.9Very low33.8Very low165 Ų165142.2 Ų142.277%0.77180%0.8SS**  trans135.1120.1131.9-157.4168-6.500113.4
201P35.3Very low33.5Very low118 Ų118143.4 Ų143.477%0.76681%0.809SS**PPolyproline II helixtrans-92.5129.9173.833.9-26.4000110.5
202N35Very low33.1Very low156 Ų156146.8 Ų146.883%0.83481%0.812SS**PPolyproline II helixtrans-102.4120.6166-97.6-11.5000109.5
203L32Very low32.6Very low167 Ų167145.6 Ų145.687%0.87481%0.811SS**PPolyproline II helixtrans-71124.9169.8-69.5143.1000109.6
204T29.6Very low32.5Very low143 Ų143146.1 Ų146.188%0.87781%0.813SS**  trans-170.8107.214645.30000108.8
205S33.7Very low31.8Very low105 Ų105144.4 Ų144.473%0.73481%0.808SS**  trans-145.296.915859.70000108.7N207S205-N207 PolarHBondContact O-N 3.32Å
206S32.4Very low31.4Very low119 Ų119144.1 Ų144.183%0.83281%0.811SS**  trans-67.7111.9167.648.70000109.7
207N33.8Very low30.9Very low145 Ų145145.6 Ų145.678%0.77581%0.812SS**  trans-107.4111.3167-78.3-16.5000109.4S205S205-N207 PolarHBondContact O-N 3.32Å
208S30.4Very low30.7Very low117 Ų117143 Ų14382%0.81881%0.805SS**  trans-53.8129.9165.1170.20000110.8
209V27.3Very low30.3Very low137 Ų137145.9 Ų145.983%0.8381%0.811SS**  trans-119.8113.2166.5-164.90000107.5
210S26.7Very low30.2Very low110 Ų110141.2 Ų141.277%0.76981%0.808SS**  trans-107.4123175.7-175.20000108.2
211S30.6Very low29.9Very low108 Ų108142.5 Ų142.576%0.75581%0.812SS**  trans-143.7135.4165.650.40000110.7
212R26.3Very low29.5Very low242 Ų242145.5 Ų145.591%0.91382%0.815SS**  trans-78.9127.9-166.6-62.3175.6-171.4-144.20.6111.4
213L27Very low29.3Very low172 Ų172145.7 Ų145.790%0.90182%0.815SS**  trans-76.6126.7163-64.9173.3000109.2
214V29.1Very low29Very low132 Ų132145.7 Ų145.780%0.881%0.81SS**  trans-107.494.5162.6-176.60000107.1
215S26.9Very low29Very low104 Ų104145.2 Ų145.273%0.72781%0.811SS**  trans-76.9122.1171.659.80000109.7
216V26.4Very low28.8Very low142 Ų142146 Ų14686%0.86181%0.811SS**  trans-107.983.7160.6-173.70000107.2
217L28.6Very low28.9Very low137 Ų137145.9 Ų145.972%0.71781%0.808SS**PPolyproline II helixtrans-88.8128.8172.3-167.676.3000108.3
218P29.7Very low29Very low113 Ų113143.5 Ų143.573%0.73480%0.8SS**PPolyproline II helixtrans-75.9127.8161.66.79.4000108.6T220P218-T220 PolarHBondContact O-N 3.48Å
219K28.6Very low29Very low205 Ų205146.4 Ų146.489%0.89180%0.801SS**PPolyproline II helixtrans-54.8122.8179.2-72.5170.2174.9172.60111.6
220T30.3Very low29Very low128 Ų128146.6 Ų146.679%0.78580%0.802SS**PPolyproline II helixtrans-72.8131.4169-45.10000110.2P218P218-T220 PolarHBondContact O-N 3.48Å
221F29.1Very low29.2Very low193 Ų193145.8 Ų145.885%0.84680%0.802SS**PPolyproline II helixtrans-69.9122.5165.4-111.5-99.9000109.3
222E25.4Very low28.9Very low180 Ų180147.2 Ų147.284%0.84181%0.812SS**PPolyproline II helixtrans-69.9126.6167.3-73.1-171.2149.800110.2
223I31.9Very low28.9Very low161 Ų161138.9 Ų138.983%0.82680%0.802SS**  trans-134.3115.8148.7-58.9-177.6000108.8
224Q25.1Very low28.9Very low167 Ų167136.7 Ų136.778%0.7880%0.796SS**  trans-75.5128.4-179.7176.1165.2-16.300111.8
225C30Very low28.7Very low132 Ų132137.3 Ų137.389%0.89280%0.8SS**  trans-156.3107153.9-100.20000110
226V29.1Very low28.6Very low123 Ų123139.2 Ų139.275%0.74580%0.801SS**  trans-90.7146.4171.4-178.50000107.9
227P34.5Very low28.5Very low116 Ų116137 Ų13775%0.75380%0.798SS**  -153.3-178.810439.8-20.5000113.8
228P35.4Very low28.4Very low94 Ų94137.2 Ų137.261%0.6180%0.798SS**  -122.9151.7-64.734.5-18.9000113.2
229Q31Very low28.2Very low179 Ų179140.1 Ų140.184%0.83680%0.802SS**  trans54117.3143.6-56.5179.198.400117.8
230T28.1Very low28.3Very low141 Ų141134.6 Ų134.687%0.86579%0.785SS**  179.1147.479.6-60.90000109.4
231A29.5Very low28.5Very low93 Ų93134.3 Ų134.377%0.76978%0.779SS**  trans91.9104.1167.500000117.7G233A231-G233 PolarHBondContact O-N 3.15Å; A231-G233 VanDerWaalsContact O-N 3.15Å
232S24.9Very low29.7Very low137 Ų137128.4 Ų128.496%0.95876%0.756SS**  trans-48.6112.3154.7-71.90000109.9
233G26.7Very low30.7Very low68 Ų68123.2 Ų123.270%0.70174%0.736SS**  trans-124.9105.617500000109.2A231A231-G233 PolarHBondContact O-N 3.15Å; A231-G233 VanDerWaalsContact O-N 3.15Å
234T26.7Very low32.4Very low126 Ų126116.6 Ų116.677%0.77370%0.702SS**  trans-39.8137.2165.9-26.70000110.7L236T234-L236 PolarHBondContact O-N 2.93Å
235V24.7Very low34.3Very low145 Ų145111.5 Ų111.588%0.87968%0.681SS**  trans-61.490.4168.3179.30000107.6A237V235-A237 PolarHBondContact O-N 3.47Å
236L24.5Very low35.9Very low143 Ų143107.3 Ų107.375%0.74965%0.649SS**  trans-80.1110.1164.8-78.7165.1000105.7T234 I238T234-L236 PolarHBondContact O-N 2.93Å; L236-I238 VanDerWaalsContact C-N 3.35Å; L236-I238 WeakPolarHBondContact O-CG1 3.22Å; L236-I238 PolarHBondContact O-N 3.07Å
237A24.6Very low37.1Very low97 Ų97105.4 Ų105.480%0.80264%0.638SS**  trans-56.4103.1162.400000107.3V235 Q239V235-A237 PolarHBondContact O-N 3.47Å; A237-Q239 PolarHBondContact O-N 2.73Å
238I26.7Very low37.5Very low141 Ų141103.2 Ų103.272%0.72363%0.625SS**  trans-84.5100.1172.6-47.4-177.3000106.1L236 V240L236-I238 VanDerWaalsContact C-N 3.35Å; L236-I238 WeakPolarHBondContact O-CG1 3.22Å; L236-I238 PolarHBondContact O-N 3.07Å; I238-V240 HydrophobicContact CB-CG2 4.32Å; I238-V240 HydrophobicContact CG2-CG2 3.33Å; I238-V240 PolarHBondContact O-N 3.33Å; I238-V240 VanDerWaalsContact O-N 3.09Å
239Q25.7Very low37.6Very low174 Ų174106.6 Ų106.681%0.81364%0.638SS**  trans-69.194.4164.5-173.6171-4.100107.3A237A237-Q239 PolarHBondContact O-N 2.73Å
240V30.3Very low37.9Very low88 Ų88102.7 Ų102.753%0.53363%0.627SS.*  trans-110.4115.9167-170.90000107.7I238 D242I238-V240 HydrophobicContact CB-CG2 4.32Å; I238-V240 HydrophobicContact CG2-CG2 3.33Å; I238-V240 PolarHBondContact O-N 3.33Å; I238-V240 VanDerWaalsContact O-N 3.09Å; V240-D242 VanDerWaalsContact C-N 3.29Å; V240-D242 PolarHBondContact O-N 3.42Å
241N34.7Very low38Very low123 Ų123102.3 Ų102.366%0.65862%0.619SS**  trans-71.569.8-175.3-71.838.2000112.8T243N241-T243 PolarHBondContact O-N 3.09Å
242D53.9Low38.1Very low69 Ų69103.5 Ų103.537%0.36961%0.612SS.*  trans-99.674165.7-70.6-10.5000108.9V240 C435V240-D242 VanDerWaalsContact C-N 3.29Å; V240-D242 PolarHBondContact O-N 3.42Å; D242-C435 PolarHBondContact O-SG 2.92Å
243T47.3Very low38.4Very low70 Ų70104 Ų10443%0.42960%0.599SS.*EExtended strand (participates in β ladder)trans-86115.1175.2-65.60000109.1N241 T436 T438N241-T243 PolarHBondContact O-N 3.09Å; T243-T436 WeakPolarHBondContact CA-O 3.13Å; T243-T438 HydrophobicContact CG2-CG2 3.3Å; T243-T438 WeakPolarHBondContact CG2-OG1 3.32Å
244I66.7Low38.6Very low22 Ų22107.1 Ų107.111%0.11360%0.599CS.*EExtended strand (participates in β ladder)trans-94.2131.3172-60.7170.3000108.3I401 V423 V426 C435 T436 L437 T438I244-I401 HydrophobicContact CD1-CD1 3.65Å; I244-V423 VanDerWaalsContact CG2-O 3.25Å; I244-V423 WeakPolarHBondContact CG2-O 3.37Å; I244-V426 HydrophobicContact CD1-CG1 4.03Å; I244-C435 WeakPolarHBondContact CD1-SG 3.18Å; I244-T436 PolarHBondContact N-O 3.37Å; I244-L437 HydrophobicContact CB-CD2 3.56Å; I244-L437 HydrophobicContact CD1-CD2 3.74Å; I244-L437 HydrophobicContact CG1-CD2 4.13Å; I244-L437 HydrophobicContact CG2-CD2 3.95Å; I244-T438 PolarHBondContact O-N 2.73Å; I244-T438 PolarHBondContact O-OG1 3.13Å
245D66.2Low38.9Very low61 Ų61104.8 Ų104.833%0.32659%0.593SS.*EExtended strand (participates in β ladder)trans-99.7114.7177.7179.40.3000110.1T247 S248 H439D245-T247 VanDerWaalsContact CG-OG1 3.26Å; D245-T247 PolarHBondContact O-N 3.38Å; D245-T247 WeakPolarHBondContact OD1-CB 3.44Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 2.84Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å; D245-S248 PolarHBondContact O-OG 3.07Å; D245-H439 VanDerWaalsContact CG-ND1 3.33Å; D245-H439 VanDerWaalsContact OD1-CB 3.26Å; D245-H439 WeakPolarHBondContact OD1-CB 3.42Å; D245-H439 IonicContact OD1-CG 3.43Å; D245-H439 IonicContact OD1-ND1 2.74Å; D245-H439 PolarHBondContact OD1-ND1 3.31Å; D245-H439 IonicContact OD2-ND1 3.16Å
246L62.9Low39.4Very low44 Ų44105.4 Ų105.423%0.2358%0.58CS.*THydrogen-bonded Turntrans-75.5-5.5179.8-63-175.7000114.1V423 T438 V440 Y446L246-V423 HydrophobicContact CD2-CB 3.71Å; L246-V423 HydrophobicContact CD2-CG1 3.61Å; L246-V423 HydrophobicContact CD2-CG2 4.38Å; L246-T438 PolarHBondContact N-O 2.8Å; L246-V440 HydrophobicContact CD1-CB 4.17Å; L246-V440 HydrophobicContact CD1-CG1 4.01Å; L246-V440 HydrophobicContact CD1-CG2 3.76Å; L246-Y446 HydrophobicContact CD1-CE1 4.28Å
247T54.3Low39.7Very low83 Ų83106.3 Ų106.351%0.50958%0.58SS.*THydrogen-bonded Turntrans-90.9-5.1-17765.70000114.1D245 D249 H439D245-T247 VanDerWaalsContact CG-OG1 3.26Å; D245-T247 PolarHBondContact O-N 3.38Å; D245-T247 WeakPolarHBondContact OD1-CB 3.44Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 2.84Å; D245-T247 PolarHBondContact OD2-OG1 2.9Å; T247-D249 PolarHBondContact O-N 2.95Å; T247-H439 HydrophobicContact CG2-CB 3.63Å
248S43.3Very low39.9Very low70 Ų70110.5 Ų110.549%0.4958%0.583SS.*  trans-78.8106.917564.70000110.3D245 T250D245-S248 PolarHBondContact O-OG 3.07Å; S248-T250 PolarHBondContact O-N 3.17Å
249D37.6Very low39.9Very low165 Ų165113.2 Ų113.288%0.88259%0.592SS**  trans-6471.7163.9-73.1-36.3000109.2T247 N251T247-D249 PolarHBondContact O-N 2.95Å; D249-N251 PolarHBondContact O-N 2.85Å
250T37.4Very low40Very low97 Ų97112.5 Ų112.560%0.59559%0.594SS**  trans-74.890.5156.156.50000106.3S248 I252S248-T250 PolarHBondContact O-N 3.17Å; T250-I252 PolarHBondContact O-N 3.28Å
251N29.1Very low40Very low132 Ų132115.2 Ų115.271%0.70661%0.61SS**  trans-57.588.1168.1-128.4-10.6000108.4D249 E253D249-N251 PolarHBondContact O-N 2.85Å; N251-E253 VanDerWaalsContact C-N 3.28Å
252I32.6Very low39.6Very low118 Ų118115.2 Ų115.261%0.60562%0.619SS**  trans-101.363.5157.8-50179.6000105.5T250 A255T250-I252 PolarHBondContact O-N 3.28Å; I252-A255 HydrophobicContact CG2-CB 4.36Å
253E30.9Very low38.4Very low148 Ų148115.5 Ų115.569%0.69264%0.639SS**  trans-62.6128.7152.7-96.2-178.214700106.9N251N251-E253 VanDerWaalsContact C-N 3.28Å
254N30.9Very low37.4Very low133 Ų133117.1 Ų117.171%0.71165%0.653SS**  trans77.782.4172.7-44.5-32000116
255A31.9Very low35.7Very low78 Ų78121.9 Ų121.965%0.64568%0.683SS**SBendtrans-118.112158.800000113.3I252I252-A255 HydrophobicContact CG2-CB 4.36Å
256W35.9Very low33.8Very low157 Ų157125.9 Ų125.960%0.59571%0.705SS**SBendtrans-111.2-1.3173-67.8111.4000114P350 P351 L418W256-P350 HydrophobicContact CZ2-CB 4.36Å; W256-P351 HydrophobicContact CH2-CB 3.93Å; W256-P351 HydrophobicContact CH2-CG 4.25Å; W256-P351 VanDerWaalsContact CH2-O 3.29Å; W256-P351 WeakPolarHBondContact CH2-O 3.21Å; W256-P351 HydrophobicContact CZ3-CB 4.28Å; W256-L418 HydrophobicContact CZ2-CD2 4.41Å
257E30.4Very low32.3Very low162 Ų162130.1 Ų130.176%0.75773%0.733SS**SBendtrans-133.4150.6168.1-64.8-157.5174.800108.8
258E29.3Very low31.2Very low185 Ų185135.8 Ų135.886%0.86475%0.75SS**  trans88.675.4-178.2-50.6-157.8169.700117.7
259H26.9Very low30.5Very low198 Ų198141.8 Ų141.892%0.91777%0.767SS**  trans-129.253.5143.1-125.6-64.3000110
260L27.5Very low30.3Very low160 Ų160142.3 Ų142.384%0.83877%0.768SS**SBendtrans-144.9118.5166.5-74.2178000110.3
261V31.5Very low29.8Very low144 Ų144144.4 Ų144.487%0.87378%0.776SS**  trans93.1108.3159.6-1660000118.6
262S25.6Very low29.9Very low123 Ų123145.9 Ų145.986%0.8678%0.776SS**  trans-45.2150.9164.5-55.80000117
263G27.7Very low29.8Very low75 Ų75147.1 Ų147.177%0.77378%0.779SS**  trans157.577.9150.600000118.7
264S26.4Very low29.6Very low105 Ų105145.3 Ų145.373%0.73478%0.783SS**  trans29.3119137.1-154.40000121.2
265T30.9Very low29.5Very low122 Ų122143.8 Ų143.875%0.74879%0.789SS**  159.7126.3103.141.80000114.2
266N26.4Very low29.2Very low145 Ų145146.5 Ų146.578%0.77580%0.798SS**  trans15.4132.6146.7-65.4-55.2000121.3
267T31.2Very low28.9Very low133 Ų133144.1 Ų144.182%0.81680%0.802SS**  175.8129.995.535.10000115.3
268K31.3Very low28.7Very low201 Ų201143.9 Ų143.987%0.87481%0.805SS**  trans63.5109.4134.2-117.3171.8-177.8178.90123.1
269K28.9Very low28.4Very low197 Ų197139.4 Ų139.486%0.85779%0.794SS**  trans-4140.7140.4-76.8176.1171.8175.20118.2
270I33.6Very low28.4Very low175 Ų175136.8 Ų136.890%0.89779%0.787SS**  -153.5133119.8-89.1139.3000110.8
271N27.1Very low28.3Very low141 Ų141136.5 Ų136.575%0.75479%0.786SS**  trans-63151.2172.7-98.8-14.7000114
272K30.8Very low28.2Very low163 Ų163137.8 Ų137.871%0.70978%0.782SS**  152.4140.6108.1-106.5163.2172.7-1650117
273H32Very low28.4Very low144 Ų144139.4 Ų139.467%0.66778%0.781SS**  trans72.198146.5-58.5-47.3000117.9
274S24.9Very low28.5Very low110 Ų110137 Ų13777%0.76976%0.756SS**  76.2109.180.969.40000115.5
275A29.6Very low28.8Very low102 Ų102137.9 Ų137.984%0.84375%0.751SS**  trans-169.7114.7141.900000110.1
276T25.8Very low29.1Very low135 Ų135133 Ų13383%0.82872%0.72SS**  trans-72.9153.4152.1390000108.4
277P30.1Very low29.7Very low106 Ų106129.4 Ų129.469%0.68871%0.707SS**  -155.7151.195.134.2-12.5000117.9
278L24.5Very low30Very low157 Ų157125.5 Ų125.582%0.82269%0.688SS**  trans63.1120.8135.3-82.596.2000122.9
279S24.6Very low30.3Very low91 Ų91120 Ų12064%0.63667%0.667SS**  trans61.8115.913166.30000120.2
280N26.2Very low31Very low144 Ų144114.8 Ų114.877%0.7765%0.649SS**  -172.6116.2109-84.7-22.4000110.3Q282N280-Q282 PolarHBondContact O-N 3.25Å
281L25.2Very low31.2Very low153 Ų153108.7 Ų108.780%0.80162%0.619SS**  trans-76.6107.2162.7-92.4144000107.1
282Q29.9Very low31.6Very low171 Ų171106.4 Ų106.480%0.79961%0.612SS**  trans-110.6116.3171-162.196.58.400107.4N280 G284N280-Q282 PolarHBondContact O-N 3.25Å; Q282-G284 PolarHBondContact O-N 2.95Å; Q282-G284 VanDerWaalsContact O-N 3.12Å
283N28.8Very low31.8Very low158 Ų158104 Ų10485%0.84561%0.613SS**  trans-66.7105.4177.6-64.2-10.9000109.6
284G31Very low31.6Very low23 Ų23101.7 Ų101.724%0.23761%0.613CS.*PPolyproline II helixtrans-98.3129.9170.300000110.5Q282 S471Q282-G284 PolarHBondContact O-N 2.95Å; Q282-G284 VanDerWaalsContact O-N 3.12Å; G284-S471 WeakPolarHBondContact CA-O 3.46Å
285I33Very low31.6Very low125 Ų125105.8 Ų105.864%0.64162%0.618SS**PPolyproline II helixtrans-76.2121.2170.9-60.4173.7000108S471I285-S471 WeakPolarHBondContact CA-OG 3.47Å; I285-S471 PolarHBondContact N-OG 2.96Å; I285-S471 PolarHBondContact O-OG 3.36Å
286I35.8Very low31.5Very low19 Ų19107.8 Ų107.810%0.09762%0.619CS.*EExtended strand (participates in β ladder)trans-100.4124.1180-65.6160.4000110.3E375 G379 V380 A468 Y469 V470I286-E375 HydrophobicContact CB-CG 4.41Å; I286-G379 WeakPolarHBondContact CD1-O 3.47Å; I286-V380 HydrophobicContact CD1-CG2 3.77Å; I286-V380 HydrophobicContact CG2-CG2 4.43Å; I286-A468 HydrophobicContact CG2-CB 3.78Å; I286-Y469 VanDerWaalsContact CA-O 3.27Å; I286-Y469 WeakPolarHBondContact CA-O 3.33Å; I286-V470 HydrophobicContact CD1-CG2 4.49Å; I286-V470 HydrophobicContact CG1-CG1 4.4Å; I286-V470 HydrophobicContact CG1-CG2 4.23Å
287S38.9Very low31.5Very low70 Ų70107.7 Ų107.749%0.4961%0.608SS.*EExtended strand (participates in β ladder)trans-103.9118.7172-66.90000110.2A468 Y469S287-A468 WeakPolarHBondContact O-CA 3.37Å; S287-Y469 PolarHBondContact N-O 2.89Å; S287-Y469 PolarHBondContact O-N 3.35Å
288A37.7Very low31.3Very low51 Ų51110 Ų11042%0.42161%0.614SS.*EExtended strand (participates in β ladder)trans-94131.2178.800000111.6I373A288-I373 HydrophobicContact CB-CG2 3.6Å
289I38.9Very low31.8Very low86 Ų86107.2 Ų107.244%0.44160%0.6SS.*EExtended strand (participates in β ladder)trans-127.2124.1172.7-48.6170000108.8N467I289-N467 VanDerWaalsContact CB-OD1 3.25Å; I289-N467 WeakPolarHBondContact CB-OD1 3.07Å; I289-N467 PolarHBondContact N-O 3.41Å; I289-N467 VanDerWaalsContact N-O 3.17Å; I289-N467 PolarHBondContact N-OD1 2.88Å; I289-N467 PolarHBondContact O-N 3.46Å; I289-N467 PolarHBondContact O-ND2 2.94Å; I289-N467 PolarHBondContact O-OD1 3.42Å
290N42Very low32.1Very low87 Ų87106.2 Ų106.247%0.46560%0.604SS.*EExtended strand (participates in β ladder)trans-87.3119.9174.7-133.956.7000108.8N464 V466N290-N464 PolarHBondContact ND2-ND2 3.35Å; N290-V466 WeakPolarHBondContact OD1-CG1 3.47Å
291V38.3Very low32.6Very low46 Ų46104.6 Ų104.628%0.27960%0.604SS.*EExtended strand (participates in β ladder)trans-105.1113.5178-176.20000109V346 V465 N467V291-V346 HydrophobicContact CG1-CG2 4.4Å; V291-V465 PolarHBondContact N-O 3.38Å; V291-N467 VanDerWaalsContact CG2-ND2 3.31Å; V291-N467 WeakPolarHBondContact CG2-ND2 3.4Å
292P36.6Very low32.8Very low93 Ų93100.9 Ų100.960%0.60460%0.603SS**  trans-71.2139.7170.926.5-29.7000110.3S294P292-S294 PolarHBondContact O-N 3.17Å; P292-S294 VanDerWaalsContact O-N 3.11Å; P292-S294 PolarHBondContact O-OG 3.37Å
293P33Very low32.9Very low112 Ų112100 Ų10073%0.72760%0.602SS**  trans-63.9116.4170.926.7-31.2000108.5F295P293-F295 PolarHBondContact O-N 3.42Å
294S28Very low33.2Very low96 Ų9699.1 Ų99.167%0.67160%0.598SS**  trans-82.5102.4-172.2-38.50000110.9P292P292-S294 PolarHBondContact O-N 3.17Å; P292-S294 VanDerWaalsContact O-N 3.11Å; P292-S294 PolarHBondContact O-OG 3.37Å
295F26.5Very low33.1Very low197 Ų197105.1 Ų105.186%0.86462%0.624SS**  trans-157.298.5146.9-65.6-67.6000110.2P293P293-F295 PolarHBondContact O-N 3.42Å
296T25.8Very low33.1Very low143 Ų143104.1 Ų104.188%0.87762%0.623SS**  trans-133.3117.915836.40000109D298T296-D298 PolarHBondContact O-N 2.95Å
297F27.1Very low32.7Very low134 Ų134110.4 Ų110.459%0.58866%0.657SS**  trans-81.3107.3166.9-84-90.5000107.9A102A102-F297 HydrophobicContact CB-CE1 3.95Å; A102-F297 HydrophobicContact CB-CZ 3.64Å
298D26.3Very low32.4Very low153 Ų153112.3 Ų112.382%0.81867%0.67SS**  trans-76.8133.2165.6-162.82.1000109T296T296-D298 PolarHBondContact O-N 2.95Å
299N34.6Very low32Very low99 Ų99118.7 Ų118.753%0.52969%0.689SS.*  trans-146.969.7179.6-134.991000109.4K98K98-N299 VanDerWaalsContact CE-OD1 3.27Å; K98-N299 WeakPolarHBondContact CE-OD1 3.08Å; K98-N299 PolarHBondContact NZ-ND2 3.11Å; K98-N299 PolarHBondContact NZ-OD1 2.82Å
300G29.8Very low31.7Very low70 Ų70122.8 Ų122.872%0.72271%0.706SS**  trans-68.6129.7165.700000111.9
301S37.2Very low31.1Very low110 Ų110123.7 Ų123.777%0.76972%0.719SS**  trans-160.8110.5150.662.30000111.8
302G30Very low30.5Very low75 Ų75130.7 Ų130.777%0.77374%0.742SS**  trans65.5149.2152.500000117.2
303I32.8Very low30.3Very low153 Ų153131.9 Ų131.979%0.78574%0.741SS**  cis-171.6137.721.3-9.7173.4000102
304D34.1Very low30Very low140 Ų140132.4 Ų132.475%0.74974%0.738SS**  177155.562.3-93.3-45.6000109.7
305N29.7Very low30.1Very low149 Ų149136.2 Ų136.280%0.79775%0.749SS**  trans99.2112.7139.3-111.7-1.2000123.8
306V32Very low30.1Very low103 Ų103130.7 Ų130.762%0.62474%0.74SS**  trans91.9106.3137.3-167.10000121.2
307N27.1Very low30.1Very low152 Ų152128.9 Ų128.981%0.81373%0.733SS**  trans54.7111140-58.4-17.9000121.2
308S33.9Very low30.3Very low109 Ų109131.3 Ų131.376%0.76275%0.751SS**  170.3112.593.2-175.10000111.3
309K29Very low30.3Very low185 Ų185128.9 Ų128.980%0.80475%0.747SS**  trans22.7120.3140.3-62.2179.7178.5177.30118.7
310Q31.8Very low30Very low172 Ų172132.9 Ų132.980%0.80476%0.762SS**  162.1128.398.5-154.47718.600112.7
311S30.2Very low29.9Very low106 Ų106133.7 Ų133.774%0.74176%0.762SS**  trans70.1110.2152.2-155.60000120.1
312Y25.9Very low29.8Very low194 Ų194137.4 Ų137.476%0.76177%0.767SS**  59117.463.5-140.7-125.1000110.5
313M31Very low29.6Very low118 Ų118141.3 Ų141.358%0.58177%0.77SS**  cis-164.8152.346.4-96.4-63.3-120.400116.5
314D27.1Very low29.8Very low123 Ų123142.1 Ų142.166%0.65877%0.774SS**  trans9.3134.5148.4-94.1-34.5000123.9
315L29.7Very low29.5Very low175 Ų175141.1 Ų141.192%0.91677%0.774SS**  trans-142.475.7145.9-91172.8000110
316A26.4Very low29.4Very low81 Ų81139.1 Ų139.167%0.66977%0.767SS**  trans-109.295.2156.900000107.6
317S27.7Very low29.4Very low105 Ų105140.2 Ų140.273%0.73477%0.769SS**  trans176.2101.3165.1-78.40000109.9
318L30.1Very low29.6Very low185 Ų185140.8 Ų140.897%0.96977%0.767SS**  trans-171.568149.7-101142.1000109.4
319S25.8Very low29.4Very low103 Ų103142.9 Ų142.972%0.7277%0.767SS**  trans-107.2134.7151.459.20000107.5
320Q29.7Very low29.3Very low183 Ų183139.6 Ų139.686%0.85576%0.762SS**  trans111.4111.1166.3-63.8177.421.300117.2
321A27.8Very low29.2Very low87 Ų87139 Ų13972%0.71976%0.764SS**  trans81.7118.5131.700000118.6
322Q33.4Very low29.1Very low187 Ų187139.5 Ų139.587%0.87477%0.768SS**  174.7140.490.9-90.3177.1-23.800112
323N27Very low29.5Very low158 Ų158137.4 Ų137.485%0.84577%0.769SS**  trans-61.7133168-69.6-44000111.6
324I36.4Very low29.4Very low169 Ų169137.6 Ų137.687%0.86778%0.782SS**  trans-142.7117.8149.2-58.3-177.2000109.3
325T27.4Very low29.7Very low120 Ų120141.6 Ų141.674%0.73679%0.79SS**  trans-80.4150.7173.2-46.20000110.7
326T29.1Very low29.9Very low106 Ų106138.6 Ų138.665%0.6578%0.783SS**  trans122.6105.8133.3-41.20000117
327N30.6Very low30.3Very low126 Ų126140.3 Ų140.367%0.67479%0.785SS**  trans88.3121.2136.3-69.6-6.1000124
328Q32.3Very low31.1Very low164 Ų164142.1 Ų142.177%0.76679%0.785SS**  trans74.9139.5145-63.3172.144.500116
329M28.2Very low31.7Very low153 Ų153136.5 Ų136.575%0.75476%0.76SS**  cis-165.1146.36.5-132.1167.1176.200106.3
330T27.3Very low32.4Very low117 Ų117138 Ų13872%0.71876%0.76SS**  trans50.5101.9151.454.30000119.4
331D30.9Very low33.4Very low158 Ų158131.8 Ų131.885%0.84573%0.734SS**  -170.9134.9117.3-96.8-19.8000111.8L333D331-L333 PolarHBondContact O-N 2.87Å
332S27.8Very low34.6Very low118 Ų118134.3 Ų134.383%0.82573%0.731SS**  trans-68117.6-173.550.70000112.8
333L34.3Very low35.9Very low149 Ų149130.8 Ų130.878%0.7872%0.718SS**  trans-115.3109.1164.3-81.8161.4000109.1D331 Y335D331-L333 PolarHBondContact O-N 2.87Å; L333-Y335 PolarHBondContact O-N 2.74Å
334S29.3Very low37.8Very low122 Ų122124.8 Ų124.885%0.85369%0.685SS**  trans-68104172.6530000109.9S336S334-S336 PolarHBondContact O-N 2.87Å
335Y32.2Very low39.8Very low207 Ų207119.4 Ų119.481%0.81266%0.661SS**  trans-69.7106.8165.7-75.5-92.5000108.7L333 V337L333-Y335 PolarHBondContact O-N 2.74Å; Y335-V337 VanDerWaalsContact C-N 3.32Å; Y335-V337 PolarHBondContact O-N 3.49Å
336S33.5Very low42.5Very low112 Ų112116.1 Ų116.178%0.78364%0.641SS**  trans-71.394.5161.7179.60000107.4S334 I338S334-S336 PolarHBondContact O-N 2.87Å; S336-I338 PolarHBondContact O-N 3.36Å; S336-I338 VanDerWaalsContact O-N 3.07Å
337V35.2Very low45.3Very low118 Ų118111.2 Ų111.272%0.71561%0.611SS**  trans-65.3102.4169.1179.50000106.6Y335 P339Y335-V337 VanDerWaalsContact C-N 3.32Å; Y335-V337 PolarHBondContact O-N 3.49Å; V337-P339 WeakPolarHBondContact O-CD 3.46Å
338I44.3Very low48Very low142 Ų142110.7 Ų110.773%0.72861%0.608SS**  trans-57.9118.4154.3-56.4175000103.4S336 D340S336-I338 PolarHBondContact O-N 3.36Å; S336-I338 VanDerWaalsContact O-N 3.07Å; I338-D340 PolarHBondContact O-N 3.41Å
339P42.4Very low50.8Low67 Ų67106.6 Ų106.644%0.43559%0.591SS.*  trans-53.9134.6173.421.2-28.3000106.5V337 V341V337-P339 WeakPolarHBondContact O-CD 3.46Å; P339-V341 HydrophobicContact CB-CG2 4.4Å; P339-V341 HydrophobicContact CG-CG2 4.05Å; P339-V341 WeakPolarHBondContact O-CG2 3.45Å; P339-V341 PolarHBondContact O-N 2.75Å
340D41.1Very low53.6Low134 Ų13499.6 Ų99.672%0.71756%0.557SS**  trans-62.279.5171.1-170.316.2000106.9I338 H342I338-D340 PolarHBondContact O-N 3.41Å; D340-H342 PolarHBondContact O-N 3.49Å
341V50.1Low56.6Low54 Ų5497.6 Ų97.633%0.32755%0.545SS..  trans-71.196.3175.5179.90000102.6P339 L343P339-V341 HydrophobicContact CB-CG2 4.4Å; P339-V341 HydrophobicContact CG-CG2 4.05Å; P339-V341 WeakPolarHBondContact O-CG2 3.45Å; P339-V341 PolarHBondContact O-N 2.75Å; V341-L343 VanDerWaalsContact C-N 3.27Å; V341-L343 PolarHBondContact O-N 3.41Å
342H53.3Low59.2Low140 Ų14092.8 Ų92.865%0.64852%0.522SS*.  trans-47.999169.2-73.3-61.2000107.7D340 L344D340-H342 PolarHBondContact O-N 3.49Å; H342-L344 PolarHBondContact O-N 2.94Å
343L61.2Low62Low113 Ų11389.2 Ų89.259%0.59250%0.496SS*.  trans-65.9100.8-176.8-74.8169.9000106.6V341V341-L343 VanDerWaalsContact C-N 3.27Å; V341-L343 PolarHBondContact O-N 3.41Å
344L66.9Low64.1Low31 Ų3189.1 Ų89.116%0.16250%0.501CS..PPolyproline II helixtrans-56.8145.7171.4-69.6173.3000108.6H342 L411H342-L344 PolarHBondContact O-N 2.94Å; L344-L411 HydrophobicContact CD2-CB 4.29Å; L344-L411 HydrophobicContact CD2-CD1 3.44Å; L344-L411 VanDerWaalsContact CD2-CD1 3.44Å; L344-L411 HydrophobicContact CD2-CG 3.6Å
345P78.5Confident66.3Low56 Ų5686.7 Ų86.736%0.36448%0.477SS..PPolyproline II helixtrans-56.3146.6170.626.1-33.5000109.3A347 V414P345-A347 PolarHBondContact O-N 3.25Å; P345-V414 HydrophobicContact CG-CG1 3.89Å; P345-V414 WeakPolarHBondContact O-CG2 3.31Å
346V84.8Confident67.9Low51 Ų5180.9 Ų80.931%0.30947%0.465SS..PPolyproline II helixtrans-60.2133.2175.7177.50000109.1V291 W420 Y447 V465V291-V346 HydrophobicContact CG1-CG2 4.4Å; V346-W420 HydrophobicContact CG1-CZ2 4.24Å; V346-Y447 HydrophobicContact CG2-CD1 4.23Å; V346-Y447 HydrophobicContact CG2-CE1 4.02Å; V346-V465 HydrophobicContact CG1-CB 4.24Å; V346-V465 HydrophobicContact CG1-CG1 3.87Å; V346-V465 HydrophobicContact CG1-CG2 3.93Å
347A86.6Confident69.3Low3 Ų382.7 Ų82.73%0.02547%0.471CS..PPolyproline II helixtrans-60.5152.5178.600000111.9P345 L349 Y404 V414 P419P345-A347 PolarHBondContact O-N 3.25Å; A347-L349 PolarHBondContact O-N 3.33Å; A347-Y404 HydrophobicContact CB-CE1 3.77Å; A347-Y404 PolarHBondContact N-OH 3.37Å; A347-Y404 VanDerWaalsContact N-OH 3.13Å; A347-V414 HydrophobicContact CB-CG2 3.85Å; A347-P419 HydrophobicContact CB-CG 3.5Å
348L87.8Confident70.5Confident116 Ų11679.8 Ų79.861%0.60745%0.453SS*.PPolyproline II helixtrans-57.4135.2175.6-66.2176.6000110.5L418 W420L348-L418 WeakPolarHBondContact O-CD1 3.41Å; L348-W420 PolarHBondContact O-NE1 3.34Å
349L90.6Very high71.4Confident78 Ų7877.6 Ų77.641%0.40844%0.443SS..PPolyproline II helixtrans-65.3145.9179.2-65.8177.3000110.8A347 W420 I449 W462 V465A347-L349 PolarHBondContact O-N 3.33Å; L349-W420 HydrophobicContact CD2-CZ2 3.9Å; L349-I449 HydrophobicContact CD2-CD1 3.9Å; L349-I449 HydrophobicContact CD2-CG2 3.88Å; L349-W462 HydrophobicContact CD1-CB 4.09Å; L349-W462 HydrophobicContact CD1-CG 4.48Å; L349-V465 HydrophobicContact CD2-CG2 3.97Å
350P88.6Confident72.4Confident6 Ų682.1 Ų82.14%0.03946%0.462CS..PPolyproline II helixtrans-59.5143.1176.1-2436.5000111.2W256 V352 L418 W420 I449 W462W256-P350 HydrophobicContact CZ2-CB 4.36Å; P350-V352 PolarHBondContact O-N 2.88Å; P350-L418 HydrophobicContact CB-CD1 4.42Å; P350-L418 HydrophobicContact CB-CD2 3.89Å; P350-L418 HydrophobicContact CB-CG 4.44Å; P350-L418 HydrophobicContact CG-CD1 4.35Å; P350-L418 HydrophobicContact CG-CD2 4.32Å; P350-L418 HydrophobicContact CG-CG 4.37Å; P350-W420 VanDerWaalsContact CD-CD1 3.42Å; P350-W420 HydrophobicContact CG-CB 3.5Å; P350-W420 VanDerWaalsContact CG-CB 3.5Å; P350-W420 HydrophobicContact CG-CD2 4.46Å; P350-W420 HydrophobicContact CG-CG 3.56Å; P350-I449 HydrophobicContact CG-CD1 4.22Å; P350-W462 HydrophobicContact CB-CZ2 3.75Å; P350-W462 HydrophobicContact CG-CZ2 3.92Å; P350-W462 PolarHBondContact O-NE1 3Å
351P88.8Confident74Confident74 Ų7482 Ų8248%0.48146%0.461SS..PPolyproline II helixtrans-54.3139.5170.7-23.933.5000110.5W256W256-P351 HydrophobicContact CH2-CB 3.93Å; W256-P351 HydrophobicContact CH2-CG 4.25Å; W256-P351 VanDerWaalsContact CH2-O 3.29Å; W256-P351 WeakPolarHBondContact CH2-O 3.21Å; W256-P351 HydrophobicContact CZ3-CB 4.28Å
352V86.6Confident75.5Confident58 Ų5883 Ų8335%0.35246%0.462SS..PPolyproline II helixtrans-80.9125.8169.8-178.30000107.3P350 T354P350-V352 PolarHBondContact O-N 2.88Å; V352-T354 PolarHBondContact O-N 3.15Å
353P85.1Confident77.1Confident42 Ų4279.4 Ų79.427%0.27345%0.447SS..PPolyproline II helixtrans-52.5141.1178.8-27.634.9000111.9Q355 Y459P353-Q355 PolarHBondContact O-N 3.34Å; P353-Q355 VanDerWaalsContact O-N 3.13Å; P353-Y459 HydrophobicContact CB-CD2 4.04Å; P353-Y459 HydrophobicContact CB-CE2 3.98Å; P353-Y459 HydrophobicContact CG-CD2 3.96Å; P353-Y459 HydrophobicContact CG-CE2 3.88Å
354T78.4Confident78.3Confident147 Ų14777.9 Ų77.990%0.90244%0.444SS*.PPolyproline II helixtrans-61.7118.7178.9-22.40000108.7V352V352-T354 PolarHBondContact O-N 3.15Å
355Q75.8Confident79.3Confident71 Ų7178.4 Ų78.433%0.33245%0.447SS..PPolyproline II helixtrans-76.7142-176.1-62.5-176.318.200110.3P353 V357 L365 R458 Y459P353-Q355 PolarHBondContact O-N 3.34Å; P353-Q355 VanDerWaalsContact O-N 3.13Å; Q355-V357 PolarHBondContact O-N 3.06Å; Q355-L365 VanDerWaalsContact NE2-CD2 3.35Å; Q355-R458 HydrophobicContact CG-CB 4.43Å; Q355-Y459 PolarHBondContact NE2-O 3.04Å
356P67Low80Confident86 Ų8676.1 Ų76.156%0.55843%0.431SS*.PPolyproline II helixtrans-58.4132.2169.223.2-29.9000109T358P356-T358 PolarHBondContact O-N 2.78Å
357V62.7Low80.4Confident150 Ų15075 Ų7591%0.90943%0.425SS*.  trans-56.4109.6178.8-178.90000108.1Q355 N359Q355-V357 PolarHBondContact O-N 3.06Å; V357-N359 PolarHBondContact O-N 2.99Å
358T60.3Low80.7Confident56 Ų5677.3 Ų77.334%0.34444%0.439SS..  trans-74.2130.7-179.4490000110.1P356 H362 L456 R458P356-T358 PolarHBondContact O-N 2.78Å; T358-H362 HydrophobicContact CG2-CB 4.46Å; T358-L456 HydrophobicContact CG2-CD1 4.48Å; T358-R458 VanDerWaalsContact CG2-NH1 3.32Å
359N61.9Low81.1Confident97 Ų9771.8 Ų71.852%0.51941%0.41SS..  trans-47.9143.2165.5-163.3-39.2000110.1V357 N361 H362V357-N359 PolarHBondContact O-N 2.99Å; N359-N361 PolarHBondContact O-N 2.86Å; N359-H362 PolarHBondContact N-CD2 3.09Å; N359-H362 PolarHBondContact O-CD2 2.86Å; N359-H362 PolarHBondContact O-N 3.17Å
360I65.1Low81.3Confident161 Ų16172 Ų7283%0.82641%0.409SS*.THydrogen-bonded Turntrans-52.6-13.3-178.652.6170000114.7
361N74Confident81.7Confident132 Ų13271.8 Ų71.871%0.70641%0.407SS*.THydrogen-bonded Turntrans-89.9-2.5-179.8-62.9-23.3000114.8N359N359-N361 PolarHBondContact O-N 2.86Å
362H80.9Confident82Confident76 Ų7671 Ų7135%0.35240%0.401SS..SBendtrans-87.8142.5179.6-64.2-65.3000111.9T358 N359 L456T358-H362 HydrophobicContact CG2-CB 4.46Å; N359-H362 PolarHBondContact N-CD2 3.09Å; N359-H362 PolarHBondContact O-CD2 2.86Å; N359-H362 PolarHBondContact O-N 3.17Å; H362-L456 HydrophobicContact CB-CD1 4.21Å; H362-L456 WeakPolarHBondContact ND1-CD1 3.48Å
363L86.8Confident82.2Confident64 Ų6469.3 Ų69.334%0.33539%0.39SS..PPolyproline II helixtrans-61.4148.2171.9-77.790.4000110.2S392 E394 R458L363-S392 VanDerWaalsContact CD2-CB 3.42Å; L363-E394 HydrophobicContact CB-CB 4.11Å; L363-R458 PolarHBondContact O-NH1 2.9Å; L363-R458 PolarHBondContact O-NH2 3.25Å
364P87.4Confident82.4Confident81 Ų8169.7 Ų69.753%0.52640%0.396SS..PPolyproline II helixtrans-59.1155173.927.1-34.9000110.1S392 F393 E394P364-S392 VanDerWaalsContact CD-O 3.3Å; P364-S392 WeakPolarHBondContact CD-O 3.45Å; P364-S392 WeakPolarHBondContact CG-O 2.87Å; P364-F393 HydrophobicContact CG-CB 4.34Å; P364-F393 CarbonylContact O-C 3.54Å; P364-F393 VanDerWaalsContact O-CA 3.31Å; P364-F393 WeakPolarHBondContact O-CA 3.13Å; P364-F393 WeakPolarHBondContact O-CB 3.11Å; P364-E394 PolarHBondContact O-N 3.17Å
365L88.7Confident82.6Confident42 Ų4268.7 Ų68.722%0.2238%0.381CS..BIsolated β-bridgetrans-65.5149.7177.8-161.659.8000110.4Q355 D454 R458 Y459Q355-L365 VanDerWaalsContact NE2-CD2 3.35Å; L365-D454 HydrophobicContact CD1-CB 4.1Å; L365-D454 WeakPolarHBondContact CD1-OD2 3.29Å; L365-R458 HydrophobicContact CD1-CB 3.61Å; L365-R458 HydrophobicContact CD2-CB 4.34Å; L365-Y459 VanDerWaalsContact CD2-C 3.47Å; L365-Y459 WeakPolarHBondContact CD2-O 3.27Å
366Q91.3Very high82.8Confident8 Ų866.4 Ų66.44%0.03738%0.375CS..PPolyproline II helixtrans-59.8153177.779.9-167.7-83.100112.3F393 A396 Y399 S452Q366-F393 HydrophobicContact CB-CD2 3.55Å; Q366-F393 HydrophobicContact CB-CE2 4.01Å; Q366-F393 HydrophobicContact CB-CG 4.33Å; Q366-A396 VanDerWaalsContact NE2-N 3.12Å; Q366-Y399 PolarHBondContact OE1-OH 2.7Å; Q366-S452 WeakPolarHBondContact CG-OG 3.15Å; Q366-S452 PolarHBondContact NE2-OG 2.96Å
367P93.2Very high83.4Confident28 Ų2867.4 Ų67.418%0.18239%0.391CS..PPolyproline II helixtrans-60160175.3-19.530.1000113.5P369 I386 T387 P389P367-P369 WeakPolarHBondContact O-CD 3.37Å; P367-I386 HydrophobicContact CB-CB 4.33Å; P367-T387 WeakPolarHBondContact CG-O 3.46Å; P367-P389 HydrophobicContact CG-CG 3.85Å
368V94.1Very high84.1Confident51 Ų5166.9 Ų66.931%0.30938%0.378SS..PPolyproline II helixtrans-63.5126.2178.2-176.50000110.7Q370 A461 W462V368-Q370 PolarHBondContact O-N 2.66Å; V368-Q370 PolarHBondContact O-NE2 3.21Å; V368-A461 HydrophobicContact CG2-CB 3.83Å; V368-W462 WeakPolarHBondContact CG1-O 3.17Å
369P95.2Very high85.2Confident0 Ų064.9 Ų64.90%037%0.369CS..PPolyproline II helixtrans-60.2134.3173.6-22.233.8000111.5P367 W384 S385 Y399 S463P367-P369 WeakPolarHBondContact O-CD 3.37Å; P369-W384 HydrophobicContact CB-CB 4.21Å; P369-W384 HydrophobicContact CB-CG 4.48Å; P369-S385 CarbonylContact C-O 3.56Å; P369-S385 WeakPolarHBondContact CA-O 3.49Å; P369-Y399 HydrophobicContact CG-CD1 4.28Å; P369-Y399 HydrophobicContact CG-CE1 3.93Å; P369-S463 VanDerWaalsContact O-CA 3.24Å; P369-S463 WeakPolarHBondContact O-CA 3.46Å; P369-S463 WeakPolarHBondContact O-CB 3.28Å
370Q96.1Very high86.5Confident83 Ų8360.2 Ų60.239%0.38834%0.344SS..EExtended strand (participates in β ladder)trans-92.5106.2170.2-61.3-54.6-59.200107.9V368 W384 S385V368-Q370 PolarHBondContact O-N 2.66Å; V368-Q370 PolarHBondContact O-NE2 3.21Å; Q370-W384 WeakPolarHBondContact O-CA 3.11Å; Q370-W384 WeakPolarHBondContact O-CB 3.34Å; Q370-S385 PolarHBondContact N-O 2.82Å; Q370-S385 PolarHBondContact O-N 2.83Å
371L95.8Very high87.8Confident1 Ų153.6 Ų53.61%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-89.1135.7-175.7-175.563000110.3L382 W384 F448 V450 N464 V466L371-L382 HydrophobicContact CD1-CB 4.23Å; L371-W384 HydrophobicContact CD1-CB 4.26Å; L371-W384 HydrophobicContact CD1-CE3 3.93Å; L371-F448 HydrophobicContact CD2-CB 4.24Å; L371-V450 HydrophobicContact CD1-CG2 3.79Å; L371-V450 HydrophobicContact CD2-CG2 3.97Å; L371-V450 HydrophobicContact CG-CG2 4.47Å; L371-N464 PolarHBondContact N-OD1 3.16Å; L371-N464 PolarHBondContact O-ND2 2.95Å; L371-N464 PolarHBondContact O-OD1 3.47Å; L371-V466 HydrophobicContact CB-CG1 4.06Å; L371-V466 HydrophobicContact CD2-CB 4.45Å; L371-V466 HydrophobicContact CD2-CG1 4.09Å; L371-V466 HydrophobicContact CD2-CG2 3.56Å; L371-V466 HydrophobicContact CG-CB 4.48Å; L371-V466 HydrophobicContact CG-CG1 3.79Å; L371-V466 HydrophobicContact CG-CG2 3.79Å; L371-V466 VanDerWaalsContact O-CG1 3.25Å; L371-V466 WeakPolarHBondContact O-CG1 3.3Å
372T94.8Very high88.7Confident58 Ų5847.3 Ų47.336%0.35628%0.278SS..EExtended strand (participates in β ladder)trans-133.4158.9174.557.30000108.3Q383T372-Q383 PolarHBondContact N-O 3.47Å; T372-Q383 PolarHBondContact O-N 2.75Å; T372-Q383 VanDerWaalsContact O-O 3.08Å; T372-Q383 PolarHBondContact OG1-O 3.37Å
373I91.8Very high89.4Confident22 Ų2248 Ų4811%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-134.1139.7-175.3-174.2161.2000109A288 V380 C381 L382 F448 V466 A468A288-I373 HydrophobicContact CB-CG2 3.6Å; I373-V380 HydrophobicContact CD1-CG1 3.39Å; I373-V380 HydrophobicContact CG1-CG1 3.53Å; I373-C381 CarbonylContact C-O 3.59Å; I373-C381 WeakPolarHBondContact CA-O 3.29Å; I373-L382 HydrophobicContact CB-CD2 4.27Å; I373-L382 HydrophobicContact CD1-CD2 3.78Å; I373-L382 HydrophobicContact CG1-CD2 3.98Å; I373-F448 HydrophobicContact CD1-CD2 3.78Å; I373-F448 HydrophobicContact CD1-CE2 3.95Å; I373-V466 HydrophobicContact CB-CB 4.19Å; I373-V466 HydrophobicContact CB-CG2 3.93Å; I373-V466 HydrophobicContact CD1-CG2 4.06Å; I373-V466 HydrophobicContact CG2-CB 3.88Å; I373-V466 HydrophobicContact CG2-CG2 4.16Å; I373-A468 HydrophobicContact CD1-CB 3.49Å; I373-A468 VanDerWaalsContact CD1-CB 3.49Å; I373-A468 HydrophobicContact CG1-CB 4.37Å
374A88.5Confident89.9Confident49 Ų4945 Ų4541%0.40527%0.265SS..EExtended strand (participates in β ladder)trans-138.9156.8-17900000110.4C381A374-C381 HydrophobicContact CB-CB 4.38Å; A374-C381 PolarHBondContact N-O 2.96Å; A374-C381 PolarHBondContact O-N 2.86Å
375E83.1Confident90.2Very high126 Ų12643.6 Ų43.659%0.58926%0.257SS*.EExtended strand (participates in β ladder)trans-72138.3172.4-173.9-179.4175.100110.4I286I286-E375 HydrophobicContact CB-CG 4.41Å
376A81Confident90.4Very high24 Ų2442 Ų4220%0.19825%0.249CC..EExtended strand (participates in β ladder)trans-126.6154170.800000110.3E378 G379 C381 T436A376-E378 PolarHBondContact O-N 2.84Å; A376-E378 VanDerWaalsContact O-N 3.08Å; A376-G379 PolarHBondContact N-O 3.39Å; A376-G379 PolarHBondContact O-N 2.96Å; A376-G379 VanDerWaalsContact O-N 3.14Å; A376-C381 HydrophobicContact CB-CB 4.03Å; A376-T436 HydrophobicContact CB-CG2 3.85Å
377A78.2Confident90.3Very high107 Ų10746.6 Ų46.688%0.88428%0.278SS*.THydrogen-bonded Turntrans-56.7-29.4-177.200000113.9
378E77.4Confident89.9Confident138 Ų13852.3 Ų52.365%0.64530%0.297SS*.THydrogen-bonded Turntrans-112.49.3-176.9-61-177.3173.300113.1A376 T438A376-E378 PolarHBondContact O-N 2.84Å; A376-E378 VanDerWaalsContact O-N 3.08Å; E378-T438 HydrophobicContact CB-CG2 4.07Å
379G83.7Confident89.1Confident14 Ų1453 Ų5314%0.14430%0.303CS..EExtended strand (participates in β ladder)trans153-132.8179.500000114.3I286 A376 L437I286-G379 WeakPolarHBondContact CD1-O 3.47Å; A376-G379 PolarHBondContact N-O 3.39Å; A376-G379 PolarHBondContact O-N 2.96Å; A376-G379 VanDerWaalsContact O-N 3.14Å; G379-L437 WeakPolarHBondContact CA-O 3.2Å
380V89Confident87.9Confident0 Ų060.6 Ų60.60%034%0.342CS..EExtended strand (participates in β ladder)trans-114.3121.8-171.9176.80000110I286 I373 L382 T436 L437 V440 F448 A468 V470I286-V380 HydrophobicContact CD1-CG2 3.77Å; I286-V380 HydrophobicContact CG2-CG2 4.43Å; I373-V380 HydrophobicContact CD1-CG1 3.39Å; I373-V380 HydrophobicContact CG1-CG1 3.53Å; V380-L382 HydrophobicContact CG1-CD2 4.3Å; V380-T436 WeakPolarHBondContact O-CA 3.4Å; V380-L437 PolarHBondContact N-O 2.9Å; V380-L437 PolarHBondContact O-N 3.47Å; V380-V440 HydrophobicContact CG2-CG2 4.21Å; V380-F448 HydrophobicContact CG1-CE2 4.3Å; V380-A468 HydrophobicContact CG1-CB 4.4Å; V380-A468 HydrophobicContact CG2-CB 4.36Å; V380-V470 HydrophobicContact CG2-CG2 4.01Å
381C92.3Very high87.2Confident22 Ų2259.2 Ų59.215%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-92.8118.9174.6-177.60000110.7I373 A374 A376 C435I373-C381 CarbonylContact C-O 3.59Å; I373-C381 WeakPolarHBondContact CA-O 3.29Å; A374-C381 HydrophobicContact CB-CB 4.38Å; A374-C381 PolarHBondContact N-O 2.96Å; A374-C381 PolarHBondContact O-N 2.86Å; A376-C381 HydrophobicContact CB-CB 4.03Å; C381-C435 CarbonylContact C-O 3.46Å; C381-C435 WeakPolarHBondContact CA-O 3.5Å
382L94.3Very high86.8Confident0 Ų063.6 Ų63.60%038%0.38CS..EExtended strand (participates in β ladder)trans-94.3127170.5-62.2-177.7000108.9L371 I373 V380 W384 I401 A434 C435 L437 F448 V466L371-L382 HydrophobicContact CD1-CB 4.23Å; I373-L382 HydrophobicContact CB-CD2 4.27Å; I373-L382 HydrophobicContact CD1-CD2 3.78Å; I373-L382 HydrophobicContact CG1-CD2 3.98Å; V380-L382 HydrophobicContact CG1-CD2 4.3Å; L382-W384 HydrophobicContact CB-CE3 4.36Å; L382-W384 HydrophobicContact CB-CZ3 3.97Å; L382-I401 HydrophobicContact CD1-CG2 3.71Å; L382-A434 CarbonylContact O-C 3.53Å; L382-A434 WeakPolarHBondContact O-CA 3.4Å; L382-C435 PolarHBondContact N-O 2.93Å; L382-C435 PolarHBondContact O-N 3.48Å; L382-L437 HydrophobicContact CD1-CD1 3.73Å; L382-L437 HydrophobicContact CD1-CG 4.13Å; L382-L437 HydrophobicContact CG-CD1 4.22Å; L382-L437 HydrophobicContact CG-CG 4.39Å; L382-F448 HydrophobicContact CD1-CB 4.22Å; L382-F448 HydrophobicContact CD1-CD1 3.97Å; L382-F448 HydrophobicContact CD1-CG 4.12Å; L382-F448 HydrophobicContact CD2-CB 4.03Å; L382-F448 HydrophobicContact CD2-CD1 4.47Å; L382-F448 HydrophobicContact CD2-CD2 3.96Å; L382-F448 HydrophobicContact CD2-CG 3.89Å; L382-V466 HydrophobicContact CD2-CG2 4.2Å
383Q95.5Very high86.5Confident89 Ų8962.8 Ų62.842%0.41637%0.371SS..EExtended strand (participates in β ladder)trans-126.1136.7176.6-177.8-171-89.300110.6T372 M433 A434T372-Q383 PolarHBondContact N-O 3.47Å; T372-Q383 PolarHBondContact O-N 2.75Å; T372-Q383 VanDerWaalsContact O-O 3.08Å; T372-Q383 PolarHBondContact OG1-O 3.37Å; Q383-M433 CarbonylContact C-O 3.59Å; Q383-M433 WeakPolarHBondContact CA-O 3.18Å; Q383-M433 VanDerWaalsContact CG-O 3.26Å; Q383-M433 WeakPolarHBondContact CG-O 3.29Å; Q383-A434 HydrophobicContact CB-CB 4.17Å; Q383-A434 HydrophobicContact CG-CB 4.24Å
384W95.8Very high86.5Confident1 Ų162.2 Ų62.20%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-136.3151.3176.156.892.8000114.2P369 Q370 L371 L382 Y399 I401 V426 P432 M433 C435 V450P369-W384 HydrophobicContact CB-CB 4.21Å; P369-W384 HydrophobicContact CB-CG 4.48Å; Q370-W384 WeakPolarHBondContact O-CA 3.11Å; Q370-W384 WeakPolarHBondContact O-CB 3.34Å; L371-W384 HydrophobicContact CD1-CB 4.26Å; L371-W384 HydrophobicContact CD1-CE3 3.93Å; L382-W384 HydrophobicContact CB-CE3 4.36Å; L382-W384 HydrophobicContact CB-CZ3 3.97Å; W384-Y399 AromaticContact CD1-CE1 3.92Å; W384-Y399 HydrophobicContact CZ2-CD2 4.3Å; W384-Y399 HydrophobicContact CZ2-CG 4.1Å; W384-Y399 AromaticContact NE1-CD1 3.52Å; W384-Y399 AromaticContact NE1-CD2 3.67Å; W384-Y399 AromaticContact NE1-CE1 3.64Å; W384-Y399 AromaticContact NE1-CE2 3.78Å; W384-Y399 AromaticContact NE1-CG 3.54Å; W384-Y399 AromaticContact NE1-CZ 3.79Å; W384-I401 HydrophobicContact CH2-CD1 4.02Å; W384-I401 HydrophobicContact CZ3-CD1 4.38Å; W384-V426 HydrophobicContact CH2-CG2 3.97Å; W384-V426 HydrophobicContact CZ2-CG2 3.77Å; W384-P432 WeakPolarHBondContact O-CA 3.42Å; W384-M433 HydrophobicContact CD2-CB 4.24Å; W384-M433 HydrophobicContact CH2-CE 4.44Å; W384-M433 HydrophobicContact CZ2-CB 3.97Å; W384-M433 HydrophobicContact CZ2-CE 3.49Å; W384-M433 VanDerWaalsContact CZ2-CE 3.49Å; W384-M433 HydrophobicContact CZ2-SD 4.34Å; W384-M433 PolarHBondContact N-O 3.21Å; W384-M433 PolarHBondContact O-N 2.88Å; W384-C435 HydrophobicContact CH2-CB 3.89Å; W384-C435 HydrophobicContact CZ3-CB 4.13Å; W384-V450 HydrophobicContact CD2-CG1 4.38Å; W384-V450 HydrophobicContact CE3-CG2 4.28Å; W384-V450 HydrophobicContact CZ3-CG2 4.5Å
385S95Very high86.7Confident52 Ų5263.5 Ų63.536%0.36437%0.372SS..EExtended strand (participates in β ladder)trans-134.4168.2173.765.40000110.4P369 Q370P369-S385 CarbonylContact C-O 3.56Å; P369-S385 WeakPolarHBondContact CA-O 3.49Å; Q370-S385 PolarHBondContact N-O 2.82Å; Q370-S385 PolarHBondContact O-N 2.83Å
386I93.3Very high87.2Confident10 Ų1058.2 Ų58.25%0.05135%0.351CS..  trans-119.3145.9171.765.6-176.2000109.4P367 Y388 F393 L431P367-I386 HydrophobicContact CB-CB 4.33Å; I386-Y388 HydrophobicContact CD1-CD1 4.25Å; I386-Y388 HydrophobicContact CD1-CE1 3.88Å; I386-Y388 HydrophobicContact CG1-CD1 4.34Å; I386-Y388 HydrophobicContact CG1-CE1 4.04Å; I386-Y388 HydrophobicContact CG1-CE2 4.28Å; I386-Y388 PolarHBondContact O-N 3.49Å; I386-F393 HydrophobicContact CD1-CE1 4.43Å; I386-F393 HydrophobicContact CD1-CE2 3.79Å; I386-F393 HydrophobicContact CD1-CZ 3.5Å; I386-L431 HydrophobicContact CB-CD1 4.07Å; I386-L431 HydrophobicContact CD1-CD1 3.51Å; I386-L431 HydrophobicContact CG1-CD1 3.46Å; I386-L431 VanDerWaalsContact CG1-CD1 3.46Å; I386-L431 HydrophobicContact CG2-CD1 3.73Å
387T88.9Confident87.9Confident104 Ų10460.5 Ų60.564%0.63836%0.359SS*.  trans-80.2111.8167.3-54.90000108P367 P389P367-T387 WeakPolarHBondContact CG-O 3.46Å; T387-P389 WeakPolarHBondContact O-CD 3.39Å
388Y83.3Confident88.7Confident148 Ų14855.8 Ų55.858%0.5832%0.319SS*.  trans-67.5112-179.4-65.3-86.1000110.5I386 F393I386-Y388 HydrophobicContact CD1-CD1 4.25Å; I386-Y388 HydrophobicContact CD1-CE1 3.88Å; I386-Y388 HydrophobicContact CG1-CD1 4.34Å; I386-Y388 HydrophobicContact CG1-CE1 4.04Å; I386-Y388 HydrophobicContact CG1-CE2 4.28Å; I386-Y388 PolarHBondContact O-N 3.49Å; Y388-F393 HydrophobicContact CD1-CE1 4.01Å; Y388-F393 AromaticContact CD1-CZ 3.91Å; Y388-F393 HydrophobicContact CD1-CZ 3.91Å; Y388-F393 HydrophobicContact CE1-CZ 4.07Å
389P77.9Confident89.6Confident66 Ų6649.4 Ų49.443%0.42929%0.289SS..  trans-72163.817632.4-37.1000109.7P367 T387 G391 F393P367-P389 HydrophobicContact CG-CG 3.85Å; T387-P389 WeakPolarHBondContact O-CD 3.39Å; P389-G391 VanDerWaalsContact C-N 3.29Å; P389-G391 PolarHBondContact O-N 3.44Å; P389-F393 HydrophobicContact CG-CD1 4.04Å; P389-F393 HydrophobicContact CG-CE1 4.46Å
390I70.6Confident90.2Very high159 Ų15949.4 Ų49.482%0.81529%0.286SS*.SBendtrans-71.590.1169.3-56.1169.5000107.3
391G80.3Confident90.6Very high53 Ų5349.4 Ų49.455%0.54629%0.286SS..SBendtrans153.3165.4179.300000113.2P389P389-G391 VanDerWaalsContact C-N 3.29Å; P389-G391 PolarHBondContact O-N 3.44Å
392S87.5Confident90.7Very high93 Ų9350.1 Ų50.165%0.6529%0.285SS*.  trans-83.5144.8171.4-52.80000110L363 P364L363-S392 VanDerWaalsContact CD2-CB 3.42Å; P364-S392 VanDerWaalsContact CD-O 3.3Å; P364-S392 WeakPolarHBondContact CD-O 3.45Å; P364-S392 WeakPolarHBondContact CG-O 2.87Å
393F90.1Very high90.7Very high41 Ų4150.5 Ų50.518%0.1829%0.288CS..  trans-132.9161173.752.6-92.7000109.9P364 Q366 I386 Y388 P389 P395P364-F393 HydrophobicContact CG-CB 4.34Å; P364-F393 CarbonylContact O-C 3.54Å; P364-F393 VanDerWaalsContact O-CA 3.31Å; P364-F393 WeakPolarHBondContact O-CA 3.13Å; P364-F393 WeakPolarHBondContact O-CB 3.11Å; Q366-F393 HydrophobicContact CB-CD2 3.55Å; Q366-F393 HydrophobicContact CB-CE2 4.01Å; Q366-F393 HydrophobicContact CB-CG 4.33Å; I386-F393 HydrophobicContact CD1-CE1 4.43Å; I386-F393 HydrophobicContact CD1-CE2 3.79Å; I386-F393 HydrophobicContact CD1-CZ 3.5Å; Y388-F393 HydrophobicContact CD1-CE1 4.01Å; Y388-F393 AromaticContact CD1-CZ 3.91Å; Y388-F393 HydrophobicContact CD1-CZ 3.91Å; Y388-F393 HydrophobicContact CE1-CZ 4.07Å; P389-F393 HydrophobicContact CG-CD1 4.04Å; P389-F393 HydrophobicContact CG-CE1 4.46Å; F393-P395 WeakPolarHBondContact O-CD 3.48Å
394E91.3Very high90.6Very high11 Ų1146.5 Ų46.55%0.05127%0.269CS..BIsolated β-bridgetrans-72.6119.8174.4-168.265.2-13000109.1L363 P364 D454 R455L363-E394 HydrophobicContact CB-CB 4.11Å; P364-E394 PolarHBondContact O-N 3.17Å; E394-D454 HydrophobicContact CB-CB 4.45Å; E394-D454 HydrophobicContact CG-CB 3.87Å; E394-R455 HydrophobicContact CG-CG 4.27Å; E394-R455 VanDerWaalsContact OE1-CD 3.25Å; E394-R455 WeakPolarHBondContact OE1-CD 3.18Å; E394-R455 WeakPolarHBondContact OE1-CG 3.38Å; E394-R455 IonicContact OE1-CZ 3.92Å; E394-R455 VanDerWaalsContact OE1-CZ 3.31Å; E394-R455 IonicContact OE1-NE 2.79Å; E394-R455 PolarHBondContact OE1-NE 2.92Å; E394-R455 IonicContact OE1-NH2 2.66Å; E394-R455 PolarHBondContact OE1-NH2 3.45Å; E394-R455 IonicContact OE2-CZ 2.73Å; E394-R455 IonicContact OE2-NE 3.7Å; E394-R455 PolarHBondContact OE2-NE 2.99Å; E394-R455 IonicContact OE2-NH2 3.21Å; E394-R455 PolarHBondContact OE2-NH2 3.43Å
395P92.1Very high90.3Very high75 Ų7546.5 Ų46.549%0.48727%0.269SS..PPolyproline II helixtrans-68.1155.8-17727.5-35.1000112.6F393F393-P395 WeakPolarHBondContact O-CD 3.48Å
396A94.3Very high89.9Confident16 Ų1645.3 Ų45.313%0.13226%0.261CS..EExtended strand (participates in β ladder)trans-62.1142.7168.600000110.7Q366 Y399 A428 V453Q366-A396 VanDerWaalsContact NE2-N 3.12Å; A396-Y399 HydrophobicContact CB-CD2 4.35Å; A396-Y399 HydrophobicContact CB-CE1 4.34Å; A396-Y399 HydrophobicContact CB-CE2 3.64Å; A396-A428 HydrophobicContact CB-CB 3.63Å; A396-A428 WeakPolarHBondContact O-CB 3.39Å; A396-V453 CarbonylContact C-O 3.45Å; A396-V453 WeakPolarHBondContact CA-O 3.34Å
397I95.5Very high89.5Confident72 Ų7248.6 Ų48.637%0.36929%0.285SS..EExtended strand (participates in β ladder)trans-97.9-26.5158.862.8165.2000111.3A428 V453 R455I397-A428 VanDerWaalsContact C-CB 3.5Å; I397-A428 PolarHBondContact O-N 3.33Å; I397-V453 WeakPolarHBondContact CG1-O 3.46Å; I397-V453 PolarHBondContact N-O 3.15Å; I397-R455 HydrophobicContact CG2-CB 3.96Å
398S95.8Very high89.2Confident7 Ų748.1 Ų48.15%0.04928%0.276CS..EExtended strand (participates in β ladder)trans-154.1162.5176.9570000112.2E425 V426 V453S398-E425 WeakPolarHBondContact CB-OE1 3.38Å; S398-E425 PolarHBondContact OG-OE1 3.19Å; S398-V426 CarbonylContact C-O 3.48Å; S398-V426 WeakPolarHBondContact CA-O 3.5Å; S398-V426 VanDerWaalsContact CB-O 3.22Å; S398-V426 WeakPolarHBondContact CB-O 3.06Å; S398-V453 PolarHBondContact N-O 3.13Å; S398-V453 PolarHBondContact O-N 2.94Å
399Y96.2Very high89.2Confident5 Ų541.7 Ų41.72%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-120.1129.6171-68-90.2000109.4Q366 P369 W384 A396 E425 V426 A428 M433 V450 R451 S452Q366-Y399 PolarHBondContact OE1-OH 2.7Å; P369-Y399 HydrophobicContact CG-CD1 4.28Å; P369-Y399 HydrophobicContact CG-CE1 3.93Å; W384-Y399 AromaticContact CD1-CE1 3.92Å; W384-Y399 HydrophobicContact CZ2-CD2 4.3Å; W384-Y399 HydrophobicContact CZ2-CG 4.1Å; W384-Y399 AromaticContact NE1-CD1 3.52Å; W384-Y399 AromaticContact NE1-CD2 3.67Å; W384-Y399 AromaticContact NE1-CE1 3.64Å; W384-Y399 AromaticContact NE1-CE2 3.78Å; W384-Y399 AromaticContact NE1-CG 3.54Å; W384-Y399 AromaticContact NE1-CZ 3.79Å; A396-Y399 HydrophobicContact CB-CD2 4.35Å; A396-Y399 HydrophobicContact CB-CE1 4.34Å; A396-Y399 HydrophobicContact CB-CE2 3.64Å; Y399-E425 CarbonylContact O-C 3.55Å; Y399-E425 WeakPolarHBondContact O-CA 3.07Å; Y399-V426 PolarHBondContact N-O 2.94Å; Y399-V426 PolarHBondContact O-N 3.41Å; Y399-A428 HydrophobicContact CD2-CB 4.26Å; Y399-A428 HydrophobicContact CE2-CB 3.89Å; Y399-M433 HydrophobicContact CD2-CE 3.7Å; Y399-M433 HydrophobicContact CD2-SD 3.62Å; Y399-M433 HydrophobicContact CE2-CE 4.1Å; Y399-M433 HydrophobicContact CE2-SD 3.36Å; Y399-M433 WeakPolarHBondContact CE2-SD 3.15Å; Y399-V450 HydrophobicContact CD1-CG1 3.87Å; Y399-V450 HydrophobicContact CG-CG1 4.37Å; Y399-R451 CarbonylContact C-O 3.51Å; Y399-R451 WeakPolarHBondContact CA-O 3.3Å; Y399-S452 VanDerWaalsContact CE1-CB 3.43Å
400E95.9Very high89.3Confident14 Ų1442.7 Ų42.77%0.06525%0.253CS..EExtended strand (participates in β ladder)trans-96130.6174.2-65.2-175.3139.500109.7Y402 K422 E425 V450 R451 V453E400-Y402 HydrophobicContact CB-CD2 4.35Å; E400-Y402 HydrophobicContact CB-CE2 3.99Å; E400-K422 IonicContact OE1-NZ 3.39Å; E400-K422 PolarHBondContact OE1-NZ 3.4Å; E400-E425 HydrophobicContact CG-CB 4.48Å; E400-E425 HydrophobicContact CG-CG 4.18Å; E400-V450 WeakPolarHBondContact O-CA 3.4Å; E400-R451 HydrophobicContact CB-CG 4.16Å; E400-R451 PolarHBondContact N-O 2.9Å; E400-R451 PolarHBondContact O-N 2.95Å; E400-R451 IonicContact OE2-CZ 2.78Å; E400-R451 IonicContact OE2-NE 3.39Å; E400-R451 PolarHBondContact OE2-NE 3.01Å; E400-R451 IonicContact OE2-NH2 2.72Å; E400-R451 PolarHBondContact OE2-NH2 3.29Å; E400-V453 HydrophobicContact CG-CG2 3.9Å
401I95.9Very high89.4Confident0 Ų040.7 Ų40.70%024%0.244CC..EExtended strand (participates in β ladder)trans-109.6127.5-178.7-50.3176.7000107.3I244 L382 W384 V423 G424 V426 V450I244-I401 HydrophobicContact CD1-CD1 3.65Å; L382-I401 HydrophobicContact CD1-CG2 3.71Å; W384-I401 HydrophobicContact CH2-CD1 4.02Å; W384-I401 HydrophobicContact CZ3-CD1 4.38Å; I401-V423 HydrophobicContact CB-CG2 3.86Å; I401-V423 HydrophobicContact CG2-CG2 3.54Å; I401-V423 VanDerWaalsContact O-CG2 3.31Å; I401-V423 WeakPolarHBondContact O-CG2 3.48Å; I401-V423 PolarHBondContact O-N 2.86Å; I401-G424 PolarHBondContact N-O 3.03Å; I401-G424 PolarHBondContact O-N 3.27Å; I401-V426 HydrophobicContact CD1-CG1 4.25Å; I401-V426 HydrophobicContact CD1-CG2 4.46Å; I401-V450 HydrophobicContact CG1-CG2 4.16Å; I401-V450 HydrophobicContact CG2-CG2 4.35Å
402Y95.7Very high88.9Confident37 Ų3743 Ų4315%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-121145.7176.6-79.8-115.6000110E400 W420 K421 K422 F448 I449 W462E400-Y402 HydrophobicContact CB-CD2 4.35Å; E400-Y402 HydrophobicContact CB-CE2 3.99Å; Y402-W420 HydrophobicContact CD1-CB 4.06Å; Y402-K421 CarbonylContact C-O 3.54Å; Y402-K421 WeakPolarHBondContact CA-O 3.37Å; Y402-K421 VanDerWaalsContact CD1-C 3.44Å; Y402-K422 HydrophobicContact CD1-CB 4.27Å; Y402-K422 HydrophobicContact CD2-CB 4.31Å; Y402-K422 HydrophobicContact CD2-CG 4.37Å; Y402-K422 HydrophobicContact CE1-CB 3.82Å; Y402-K422 HydrophobicContact CE2-CB 3.85Å; Y402-K422 HydrophobicContact CE2-CD 4.23Å; Y402-K422 HydrophobicContact CE2-CG 3.86Å; Y402-K422 HydrophobicContact CG-CB 4.5Å; Y402-F448 WeakPolarHBondContact O-CA 3.46Å; Y402-I449 PolarHBondContact N-O 2.86Å; Y402-I449 PolarHBondContact O-N 3.2Å; Y402-W462 HydrophobicContact CD1-CH2 4.42Å; Y402-W462 AromaticContact CD2-CH2 3.57Å; Y402-W462 HydrophobicContact CD2-CH2 3.57Å; Y402-W462 AromaticContact CD2-CZ3 3.79Å; Y402-W462 HydrophobicContact CD2-CZ3 3.79Å; Y402-W462 AromaticContact CE2-CH2 3.73Å; Y402-W462 HydrophobicContact CE2-CH2 3.73Å; Y402-W462 HydrophobicContact CE2-CZ3 4.31Å; Y402-W462 AromaticContact CG-CH2 3.95Å; Y402-W462 HydrophobicContact CG-CH2 3.95Å; Y402-W462 HydrophobicContact CG-CZ3 4.22Å
403S93.9Very high88.2Confident8 Ų840.4 Ų40.46%0.05623%0.227CC..EExtended strand (participates in β ladder)trans-145.6165.8173.478.70000113.1K421 V423 Y447 F448S403-K421 PolarHBondContact N-O 3.5Å; S403-K421 PolarHBondContact O-N 3Å; S403-V423 WeakPolarHBondContact OG-CG1 3.06Å; S403-Y447 WeakPolarHBondContact CA-O 3.37Å; S403-Y447 WeakPolarHBondContact CB-O 3.34Å; S403-F448 VanDerWaalsContact CB-CD1 3.4Å; S403-F448 VanDerWaalsContact CB-CE1 3.47Å
404Y92.6Very high87.4Confident4 Ų438.6 Ų38.62%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-146.3157.2160.472.8-90.6000109.1A347 V409 P419 W420 Y447A347-Y404 HydrophobicContact CB-CE1 3.77Å; A347-Y404 PolarHBondContact N-OH 3.37Å; A347-Y404 VanDerWaalsContact N-OH 3.13Å; Y404-V409 HydrophobicContact CD2-CG2 3.66Å; Y404-V409 HydrophobicContact CE2-CG2 4.08Å; Y404-P419 WeakPolarHBondContact CB-O 3.44Å; Y404-P419 HydrophobicContact CD1-CG 3.95Å; Y404-P419 HydrophobicContact CD2-CB 4.33Å; Y404-P419 HydrophobicContact CD2-CG 4.1Å; Y404-P419 HydrophobicContact CE1-CG 4.32Å; Y404-P419 HydrophobicContact CE2-CG 4.48Å; Y404-P419 HydrophobicContact CG-CB 4.03Å; Y404-P419 HydrophobicContact CG-CG 3.83Å; Y404-W420 AromaticContact CD1-CD2 3.75Å; Y404-W420 HydrophobicContact CD1-CD2 3.75Å; Y404-W420 AromaticContact CD1-CE2 3.92Å; Y404-W420 AromaticContact CD1-CE3 3.64Å; Y404-W420 HydrophobicContact CD1-CE3 3.64Å; Y404-W420 HydrophobicContact CD1-CG 4.45Å; Y404-W420 AromaticContact CD1-CH2 3.93Å; Y404-W420 HydrophobicContact CD1-CH2 3.93Å; Y404-W420 HydrophobicContact CD1-CZ2 4.04Å; Y404-W420 AromaticContact CD1-CZ3 3.72Å; Y404-W420 HydrophobicContact CD1-CZ3 3.72Å; Y404-W420 HydrophobicContact CE1-CD2 4.12Å; Y404-W420 AromaticContact CE1-CE2 3.79Å; Y404-W420 HydrophobicContact CE1-CE3 4.14Å; Y404-W420 AromaticContact CE1-CH2 3.56Å; Y404-W420 HydrophobicContact CE1-CH2 3.56Å; Y404-W420 AromaticContact CE1-CZ2 3.54Å; Y404-W420 HydrophobicContact CE1-CZ2 3.54Å; Y404-W420 AromaticContact CE1-CZ3 3.86Å; Y404-W420 HydrophobicContact CE1-CZ3 3.86Å; Y404-Y447 HydrophobicContact CD2-CD2 4.02Å; Y404-Y447 VanDerWaalsContact CE1-CB 3.49Å; Y404-Y447 HydrophobicContact CE1-CD2 4.07Å; Y404-Y447 AromaticContact CE1-CG 3.82Å; Y404-Y447 HydrophobicContact CE1-CG 3.82Å; Y404-Y447 AromaticContact CE2-CD2 3.35Å; Y404-Y447 HydrophobicContact CE2-CD2 3.35Å; Y404-Y447 AromaticContact CE2-CE2 3.79Å; Y404-Y447 HydrophobicContact CE2-CE2 3.79Å; Y404-Y447 AromaticContact CE2-CG 3.96Å; Y404-Y447 HydrophobicContact CE2-CG 3.96Å; Y404-Y447 AromaticContact CZ-CD2 3.38Å; Y404-Y447 AromaticContact CZ-CE2 3.98Å; Y404-Y447 AromaticContact CZ-CG 3.46Å; Y404-Y447 VanDerWaalsContact CZ-CG 3.46Å; Y404-Y447 PolarHBondContact N-O 3.48Å; Y404-Y447 PolarHBondContact O-N 2.88Å
405A90.2Very high86.2Confident1 Ų143.4 Ų43.41%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-101.9146.3174.400000111.1S407 E408 N444 M445 Y446A405-S407 PolarHBondContact O-N 3.03Å; A405-E408 HydrophobicContact CB-CG 4.15Å; A405-E408 WeakPolarHBondContact O-CB 3.25Å; A405-E408 PolarHBondContact O-N 3.26Å; A405-N444 WeakPolarHBondContact CB-ND2 3.16Å; A405-M445 CarbonylContact C-O 3.46Å; A405-M445 WeakPolarHBondContact CA-O 3.39Å; A405-Y446 HydrophobicContact CB-CD1 3.9Å; A405-Y446 HydrophobicContact CB-CE1 3.69Å
406S86.5Confident84.8Confident27 Ų2745.1 Ų45.119%0.18925%0.251CS..G310 helixtrans-60.5-29.6178.161.60000112.1E408 V409 N444 M445S406-E408 PolarHBondContact O-N 2.74Å; S406-V409 PolarHBondContact O-N 2.78Å; S406-N444 PolarHBondContact OG-OD1 2.83Å; S406-M445 PolarHBondContact N-O 2.97Å; S406-M445 WeakPolarHBondContact OG-CB 3.36Å; S406-M445 PolarHBondContact OG-N 3.24Å
407S84.6Confident83.7Confident80 Ų8046.5 Ų46.556%0.55926%0.26SS*.G310 helixtrans-63.8-21.5174.667.60000114.1A405 V409 N444A405-S407 PolarHBondContact O-N 3.03Å; S407-V409 VanDerWaalsContact C-N 3.31Å; S407-N444 WeakPolarHBondContact CB-ND2 3.13Å; S407-N444 PolarHBondContact N-OD1 2.96Å; S407-N444 PolarHBondContact OG-ND2 2.75Å
408E83.8Confident83.1Confident94 Ų9446 Ų4644%0.43926%0.258SS..G310 helixtrans-86.3-6.6-178.4-61.4177.8-163.200112.5A405 S406 K421A405-E408 HydrophobicContact CB-CG 4.15Å; A405-E408 WeakPolarHBondContact O-CB 3.25Å; A405-E408 PolarHBondContact O-N 3.26Å; S406-E408 PolarHBondContact O-N 2.74Å; E408-K421 IonicContact OE1-NZ 3.25Å; E408-K421 WeakPolarHBondContact OE2-CE 3.25Å; E408-K421 IonicContact OE2-NZ 3.77Å; E408-K421 PolarHBondContact OE2-NZ 3.49Å
409V83.1Confident82.7Confident13 Ų1346.4 Ų46.48%0.07926%0.26CS..  trans-135.2142.8-167.3-163.50000110.3Y404 S406 S407 T413 V414 P419Y404-V409 HydrophobicContact CD2-CG2 3.66Å; Y404-V409 HydrophobicContact CE2-CG2 4.08Å; S406-V409 PolarHBondContact O-N 2.78Å; S407-V409 VanDerWaalsContact C-N 3.31Å; V409-T413 WeakPolarHBondContact CA-OG1 3.19Å; V409-T413 VanDerWaalsContact CG1-OG1 3.28Å; V409-T413 WeakPolarHBondContact CG1-OG1 3.43Å; V409-V414 HydrophobicContact CG1-CB 3.43Å; V409-V414 VanDerWaalsContact CG1-CB 3.43Å; V409-V414 HydrophobicContact CG1-CG2 3.85Å; V409-P419 HydrophobicContact CG2-CB 3.52Å; V409-P419 HydrophobicContact CG2-CG 3.9Å
410N79.6Confident82.5Confident87 Ų8746.9 Ų46.947%0.46526%0.262SS..  trans-117.7174.8171.468.431.8000109.9V412 T413 V414N410-V412 PolarHBondContact O-N 3.11Å; N410-V412 VanDerWaalsContact O-N 3.08Å; N410-V412 WeakPolarHBondContact OD1-CA 3.31Å; N410-V412 WeakPolarHBondContact OD1-CB 3.5Å; N410-V412 PolarHBondContact OD1-N 2.81Å; N410-T413 PolarHBondContact N-OG1 3.14Å; N410-T413 PolarHBondContact O-N 3.39Å; N410-T413 PolarHBondContact O-OG1 3.04Å; N410-T413 WeakPolarHBondContact OD1-CG2 3.26Å; N410-T413 PolarHBondContact OD1-N 3.41Å; N410-T413 PolarHBondContact OD1-OG1 3.47Å; N410-V414 WeakPolarHBondContact O-CB 3.25Å; N410-V414 PolarHBondContact O-N 3.39Å
411L73.3Confident82.3Confident116 Ų11651.8 Ų51.861%0.60728%0.283SS*.THydrogen-bonded Turntrans-54.8-30-179.2-105.9110.7000114.2L344 V414L344-L411 HydrophobicContact CD2-CB 4.29Å; L344-L411 HydrophobicContact CD2-CD1 3.44Å; L344-L411 VanDerWaalsContact CD2-CD1 3.44Å; L344-L411 HydrophobicContact CD2-CG 3.6Å; L411-V414 WeakPolarHBondContact O-CG1 3.46Å
412V69.5Low82.2Confident101 Ų10154.9 Ų54.961%0.61230%0.296SS*.THydrogen-bonded Turntrans-81.9-45.6-179.4-178.40000110.3N410 Q415 T416N410-V412 PolarHBondContact O-N 3.11Å; N410-V412 VanDerWaalsContact O-N 3.08Å; N410-V412 WeakPolarHBondContact OD1-CA 3.31Å; N410-V412 WeakPolarHBondContact OD1-CB 3.5Å; N410-V412 PolarHBondContact OD1-N 2.81Å; V412-Q415 PolarHBondContact O-N 3.28Å; V412-T416 WeakPolarHBondContact O-CG2 3.44Å; V412-T416 PolarHBondContact O-N 3.47Å; V412-T416 PolarHBondContact O-OG1 3.45Å
413T73.3Confident82Confident40 Ų4054.7 Ų54.725%0.24530%0.299CS..Hα-helixtrans-74.4-26.8-176.961.50000111.8V409 N410 Q415 T416 S417V409-T413 WeakPolarHBondContact CA-OG1 3.19Å; V409-T413 VanDerWaalsContact CG1-OG1 3.28Å; V409-T413 WeakPolarHBondContact CG1-OG1 3.43Å; N410-T413 PolarHBondContact N-OG1 3.14Å; N410-T413 PolarHBondContact O-N 3.39Å; N410-T413 PolarHBondContact O-OG1 3.04Å; N410-T413 WeakPolarHBondContact OD1-CG2 3.26Å; N410-T413 PolarHBondContact OD1-N 3.41Å; N410-T413 PolarHBondContact OD1-OG1 3.47Å; T413-Q415 PolarHBondContact O-N 3.22Å; T413-T416 PolarHBondContact O-N 3.21Å; T413-S417 WeakPolarHBondContact CB-OG 3.42Å; T413-S417 WeakPolarHBondContact O-CA 3.35Å; T413-S417 VanDerWaalsContact O-CB 3.3Å; T413-S417 WeakPolarHBondContact O-CB 3.42Å; T413-S417 PolarHBondContact O-N 3.04Å; T413-S417 PolarHBondContact O-OG 2.83Å
414V71.9Confident81.9Confident2 Ų255 Ų551%0.01230%0.304CS..Hα-helixtrans-64.8-26.7178.379.80000113.2P345 A347 V409 N410 L411P345-V414 HydrophobicContact CG-CG1 3.89Å; P345-V414 WeakPolarHBondContact O-CG2 3.31Å; A347-V414 HydrophobicContact CB-CG2 3.85Å; V409-V414 HydrophobicContact CG1-CB 3.43Å; V409-V414 VanDerWaalsContact CG1-CB 3.43Å; V409-V414 HydrophobicContact CG1-CG2 3.85Å; N410-V414 WeakPolarHBondContact O-CB 3.25Å; N410-V414 PolarHBondContact O-N 3.39Å; L411-V414 WeakPolarHBondContact O-CG1 3.46Å
415Q66.9Low82Confident112 Ų11258.9 Ų58.952%0.52332%0.322SS..Hα-helixtrans-97.2-24.8-179.9-73170.6-1.800113.2V412 T413V412-Q415 PolarHBondContact O-N 3.28Å; T413-Q415 PolarHBondContact O-N 3.22Å
416T63.5Low82.2Confident111 Ų11159.3 Ų59.368%0.68133%0.325SS*.Hα-helixtrans-110.5-33-172.556.60000113.6V412 T413V412-T416 WeakPolarHBondContact O-CG2 3.44Å; V412-T416 PolarHBondContact O-N 3.47Å; V412-T416 PolarHBondContact O-OG1 3.45Å; T413-T416 PolarHBondContact O-N 3.21Å
417S69.8Low82.6Confident46 Ų4661.2 Ų61.232%0.32234%0.342SS..SBendtrans-96153.5175.879.10000110.1T413 P419T413-S417 WeakPolarHBondContact CB-OG 3.42Å; T413-S417 WeakPolarHBondContact O-CA 3.35Å; T413-S417 VanDerWaalsContact O-CB 3.3Å; T413-S417 WeakPolarHBondContact O-CB 3.42Å; T413-S417 PolarHBondContact O-N 3.04Å; T413-S417 PolarHBondContact O-OG 2.83Å; S417-P419 WeakPolarHBondContact O-CD 3.3Å
418L82.3Confident83Confident62 Ų6259 Ų5933%0.32533%0.328SS..  trans-103.284.6175.5-168.174.6000108.1W256 L348 P350 W420W256-L418 HydrophobicContact CZ2-CD2 4.41Å; L348-L418 WeakPolarHBondContact O-CD1 3.41Å; P350-L418 HydrophobicContact CB-CD1 4.42Å; P350-L418 HydrophobicContact CB-CD2 3.89Å; P350-L418 HydrophobicContact CB-CG 4.44Å; P350-L418 HydrophobicContact CG-CD1 4.35Å; P350-L418 HydrophobicContact CG-CD2 4.32Å; P350-L418 HydrophobicContact CG-CG 4.37Å; L418-W420 PolarHBondContact O-N 3.43Å; L418-W420 VanDerWaalsContact O-N 3.14Å
419P88.3Confident83.5Confident15 Ų1558.4 Ų58.410%0.09733%0.328CS..  trans-74.2-5.9-167.433-39.7000113.7A347 Y404 V409 S417 K421A347-P419 HydrophobicContact CB-CG 3.5Å; Y404-P419 WeakPolarHBondContact CB-O 3.44Å; Y404-P419 HydrophobicContact CD1-CG 3.95Å; Y404-P419 HydrophobicContact CD2-CB 4.33Å; Y404-P419 HydrophobicContact CD2-CG 4.1Å; Y404-P419 HydrophobicContact CE1-CG 4.32Å; Y404-P419 HydrophobicContact CE2-CG 4.48Å; Y404-P419 HydrophobicContact CG-CB 4.03Å; Y404-P419 HydrophobicContact CG-CG 3.83Å; V409-P419 HydrophobicContact CG2-CB 3.52Å; V409-P419 HydrophobicContact CG2-CG 3.9Å; S417-P419 WeakPolarHBondContact O-CD 3.3Å; P419-K421 PolarHBondContact O-N 2.87Å; P419-K421 VanDerWaalsContact O-N 3.16Å
420W92.1Very high83.8Confident15 Ų1563.5 Ų63.56%0.05736%0.361CS..  trans-63.6113.4-177.4-60.699.2000111.8V346 L348 L349 P350 Y402 Y404 L418 I449 V465V346-W420 HydrophobicContact CG1-CZ2 4.24Å; L348-W420 PolarHBondContact O-NE1 3.34Å; L349-W420 HydrophobicContact CD2-CZ2 3.9Å; P350-W420 VanDerWaalsContact CD-CD1 3.42Å; P350-W420 HydrophobicContact CG-CB 3.5Å; P350-W420 VanDerWaalsContact CG-CB 3.5Å; P350-W420 HydrophobicContact CG-CD2 4.46Å; P350-W420 HydrophobicContact CG-CG 3.56Å; Y402-W420 HydrophobicContact CD1-CB 4.06Å; Y404-W420 AromaticContact CD1-CD2 3.75Å; Y404-W420 HydrophobicContact CD1-CD2 3.75Å; Y404-W420 AromaticContact CD1-CE2 3.92Å; Y404-W420 AromaticContact CD1-CE3 3.64Å; Y404-W420 HydrophobicContact CD1-CE3 3.64Å; Y404-W420 HydrophobicContact CD1-CG 4.45Å; Y404-W420 AromaticContact CD1-CH2 3.93Å; Y404-W420 HydrophobicContact CD1-CH2 3.93Å; Y404-W420 HydrophobicContact CD1-CZ2 4.04Å; Y404-W420 AromaticContact CD1-CZ3 3.72Å; Y404-W420 HydrophobicContact CD1-CZ3 3.72Å; Y404-W420 HydrophobicContact CE1-CD2 4.12Å; Y404-W420 AromaticContact CE1-CE2 3.79Å; Y404-W420 HydrophobicContact CE1-CE3 4.14Å; Y404-W420 AromaticContact CE1-CH2 3.56Å; Y404-W420 HydrophobicContact CE1-CH2 3.56Å; Y404-W420 AromaticContact CE1-CZ2 3.54Å; Y404-W420 HydrophobicContact CE1-CZ2 3.54Å; Y404-W420 AromaticContact CE1-CZ3 3.86Å; Y404-W420 HydrophobicContact CE1-CZ3 3.86Å; L418-W420 PolarHBondContact O-N 3.43Å; L418-W420 VanDerWaalsContact O-N 3.14Å; W420-I449 HydrophobicContact CD2-CD1 3.64Å; W420-I449 HydrophobicContact CD2-CG1 4.32Å; W420-I449 HydrophobicContact CE3-CD1 3.53Å; W420-I449 HydrophobicContact CE3-CG1 3.68Å; W420-I449 HydrophobicContact CG-CD1 4.24Å; W420-I449 HydrophobicContact CH2-CB 4.49Å; W420-I449 HydrophobicContact CH2-CD1 4.15Å; W420-I449 HydrophobicContact CH2-CG1 4.28Å; W420-I449 HydrophobicContact CH2-CG2 3.59Å; W420-I449 HydrophobicContact CZ2-CD1 4.24Å; W420-I449 HydrophobicContact CZ2-CG2 4.27Å; W420-I449 HydrophobicContact CZ3-CB 4.2Å; W420-I449 HydrophobicContact CZ3-CD1 3.82Å; W420-I449 HydrophobicContact CZ3-CG1 3.68Å; W420-I449 HydrophobicContact CZ3-CG2 3.76Å; W420-V465 HydrophobicContact CH2-CG1 4Å; W420-V465 HydrophobicContact CH2-CG2 4.38Å
421K92.6Very high84.5Confident117 Ų11761.1 Ų61.151%0.50935%0.348SS..EExtended strand (participates in β ladder)trans-102.4140.8174.2-66.7168.6-178.6165.80110Y402 S403 E408 P419 V423Y402-K421 CarbonylContact C-O 3.54Å; Y402-K421 WeakPolarHBondContact CA-O 3.37Å; Y402-K421 VanDerWaalsContact CD1-C 3.44Å; S403-K421 PolarHBondContact N-O 3.5Å; S403-K421 PolarHBondContact O-N 3Å; E408-K421 IonicContact OE1-NZ 3.25Å; E408-K421 WeakPolarHBondContact OE2-CE 3.25Å; E408-K421 IonicContact OE2-NZ 3.77Å; E408-K421 PolarHBondContact OE2-NZ 3.49Å; P419-K421 PolarHBondContact O-N 2.87Å; P419-K421 VanDerWaalsContact O-N 3.16Å; K421-V423 PolarHBondContact O-N 3.33Å
422K93.2Very high85.4Confident64 Ų6459.8 Ų59.828%0.27835%0.347SS..EExtended strand (participates in β ladder)trans-70.4113.5171.7-174.6172.7175.2172.90107.8E400 Y402 E425E400-K422 IonicContact OE1-NZ 3.39Å; E400-K422 PolarHBondContact OE1-NZ 3.4Å; Y402-K422 HydrophobicContact CD1-CB 4.27Å; Y402-K422 HydrophobicContact CD2-CB 4.31Å; Y402-K422 HydrophobicContact CD2-CG 4.37Å; Y402-K422 HydrophobicContact CE1-CB 3.82Å; Y402-K422 HydrophobicContact CE2-CB 3.85Å; Y402-K422 HydrophobicContact CE2-CD 4.23Å; Y402-K422 HydrophobicContact CE2-CG 3.86Å; Y402-K422 HydrophobicContact CG-CB 4.5Å; K422-E425 IonicContact NZ-OE2 3.31Å; K422-E425 PolarHBondContact NZ-OE2 2.9Å
423V91.4Very high86.5Confident34 Ų3455.5 Ų55.521%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-93.3-21.5177.5-67.80000112.8I244 L246 I401 S403 K421I244-V423 VanDerWaalsContact CG2-O 3.25Å; I244-V423 WeakPolarHBondContact CG2-O 3.37Å; L246-V423 HydrophobicContact CD2-CB 3.71Å; L246-V423 HydrophobicContact CD2-CG1 3.61Å; L246-V423 HydrophobicContact CD2-CG2 4.38Å; I401-V423 HydrophobicContact CB-CG2 3.86Å; I401-V423 HydrophobicContact CG2-CG2 3.54Å; I401-V423 VanDerWaalsContact O-CG2 3.31Å; I401-V423 WeakPolarHBondContact O-CG2 3.48Å; I401-V423 PolarHBondContact O-N 2.86Å; S403-V423 WeakPolarHBondContact OG-CG1 3.06Å; K421-V423 PolarHBondContact O-N 3.33Å
424G92.3Very high87.5Confident15 Ų1556.4 Ų56.416%0.15533%0.332CS..EExtended strand (participates in β ladder)trans-174.3167.917600000114I401I401-G424 PolarHBondContact N-O 3.03Å; I401-G424 PolarHBondContact O-N 3.27Å
425E93.9Very high88.4Confident84 Ų8456.6 Ų56.639%0.39333%0.333SS..EExtended strand (participates in β ladder)trans-132.9121.2168-177.4173.3172.500107.7S398 Y399 E400 K422S398-E425 WeakPolarHBondContact CB-OE1 3.38Å; S398-E425 PolarHBondContact OG-OE1 3.19Å; Y399-E425 CarbonylContact O-C 3.55Å; Y399-E425 WeakPolarHBondContact O-CA 3.07Å; E400-E425 HydrophobicContact CG-CB 4.48Å; E400-E425 HydrophobicContact CG-CG 4.18Å; K422-E425 IonicContact NZ-OE2 3.31Å; K422-E425 PolarHBondContact NZ-OE2 2.9Å
426V93.5Very high89.5Confident11 Ų1153.2 Ų53.27%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-108.5141.3179.6-62.50000109.5I244 W384 S398 Y399 I401 M433I244-V426 HydrophobicContact CD1-CG1 4.03Å; W384-V426 HydrophobicContact CH2-CG2 3.97Å; W384-V426 HydrophobicContact CZ2-CG2 3.77Å; S398-V426 CarbonylContact C-O 3.48Å; S398-V426 WeakPolarHBondContact CA-O 3.5Å; S398-V426 VanDerWaalsContact CB-O 3.22Å; S398-V426 WeakPolarHBondContact CB-O 3.06Å; Y399-V426 PolarHBondContact N-O 2.94Å; Y399-V426 PolarHBondContact O-N 3.41Å; I401-V426 HydrophobicContact CD1-CG1 4.25Å; I401-V426 HydrophobicContact CD1-CG2 4.46Å; V426-M433 HydrophobicContact CG2-CE 3.89Å
427A95.5Very high90.7Very high67 Ų6747.9 Ų47.955%0.55429%0.287SS*.EExtended strand (participates in β ladder)trans-64.5144.4174.100000110L429 M433A427-L429 PolarHBondContact O-N 2.92Å; A427-M433 WeakPolarHBondContact O-CE 3.24Å
428A93.8Very high91.4Very high32 Ų3246 Ų4626%0.26427%0.273SS..  trans-69.6123.8179.800000111A396 I397 Y399A396-A428 HydrophobicContact CB-CB 3.63Å; A396-A428 WeakPolarHBondContact O-CB 3.39Å; I397-A428 VanDerWaalsContact C-CB 3.5Å; I397-A428 PolarHBondContact O-N 3.33Å; Y399-A428 HydrophobicContact CD2-CB 4.26Å; Y399-A428 HydrophobicContact CE2-CB 3.89Å
429L92.7Very high91.4Very high83 Ų8348.3 Ų48.344%0.43528%0.283SS..  trans-113.1167.2172.6-65.1179.5000109.7A427 L431 M433A427-L429 PolarHBondContact O-N 2.92Å; L429-L431 PolarHBondContact O-N 3.45Å; L429-M433 HydrophobicContact CB-CE 4.38Å; L429-M433 HydrophobicContact CB-CG 4.04Å; L429-M433 HydrophobicContact CB-SD 4.14Å; L429-M433 PolarHBondContact N-SD 3.4Å; L429-M433 WeakPolarHBondContact O-CG 3.48Å
430P91.1Very high91Very high120 Ų12048.5 Ų48.578%0.77928%0.284SS*.SBendtrans-54134175.8-2736.1000112.2
431L92.8Very high90.7Very high36 Ų3653.6 Ų53.619%0.18831%0.308CS..SBendtrans-81.2146.8179.4-67.3172000111.6I386 L429 M433I386-L431 HydrophobicContact CB-CD1 4.07Å; I386-L431 HydrophobicContact CD1-CD1 3.51Å; I386-L431 HydrophobicContact CG1-CD1 3.46Å; I386-L431 VanDerWaalsContact CG1-CD1 3.46Å; I386-L431 HydrophobicContact CG2-CD1 3.73Å; L429-L431 PolarHBondContact O-N 3.45Å; L431-M433 HydrophobicContact CD2-CB 3.9Å; L431-M433 HydrophobicContact CD2-CG 3.81Å; L431-M433 HydrophobicContact CD2-SD 4.04Å
432P93Very high90.2Very high89 Ų8950.8 Ų50.858%0.57831%0.306SS*.SBendcis-72.5140.12.330.4-35.2000112.8W384W384-P432 WeakPolarHBondContact O-CA 3.42Å
433M93.7Very high89.8Confident11 Ų1153.1 Ų53.15%0.05432%0.322CS..EExtended strand (participates in β ladder)trans-101.4147.2178.6-85.8176.566.900110.7Q383 W384 Y399 V426 A427 L429 L431Q383-M433 CarbonylContact C-O 3.59Å; Q383-M433 WeakPolarHBondContact CA-O 3.18Å; Q383-M433 VanDerWaalsContact CG-O 3.26Å; Q383-M433 WeakPolarHBondContact CG-O 3.29Å; W384-M433 HydrophobicContact CD2-CB 4.24Å; W384-M433 HydrophobicContact CH2-CE 4.44Å; W384-M433 HydrophobicContact CZ2-CB 3.97Å; W384-M433 HydrophobicContact CZ2-CE 3.49Å; W384-M433 VanDerWaalsContact CZ2-CE 3.49Å; W384-M433 HydrophobicContact CZ2-SD 4.34Å; W384-M433 PolarHBondContact N-O 3.21Å; W384-M433 PolarHBondContact O-N 2.88Å; Y399-M433 HydrophobicContact CD2-CE 3.7Å; Y399-M433 HydrophobicContact CD2-SD 3.62Å; Y399-M433 HydrophobicContact CE2-CE 4.1Å; Y399-M433 HydrophobicContact CE2-SD 3.36Å; Y399-M433 WeakPolarHBondContact CE2-SD 3.15Å; V426-M433 HydrophobicContact CG2-CE 3.89Å; A427-M433 WeakPolarHBondContact O-CE 3.24Å; L429-M433 HydrophobicContact CB-CE 4.38Å; L429-M433 HydrophobicContact CB-CG 4.04Å; L429-M433 HydrophobicContact CB-SD 4.14Å; L429-M433 PolarHBondContact N-SD 3.4Å; L429-M433 WeakPolarHBondContact O-CG 3.48Å; L431-M433 HydrophobicContact CD2-CB 3.9Å; L431-M433 HydrophobicContact CD2-CG 3.81Å; L431-M433 HydrophobicContact CD2-SD 4.04Å
434A92.9Very high89.6Confident59 Ų5952 Ų5249%0.48832%0.315SS..EExtended strand (participates in β ladder)trans-135.5146.7172.300000111L382 Q383L382-A434 CarbonylContact O-C 3.53Å; L382-A434 WeakPolarHBondContact O-CA 3.4Å; Q383-A434 HydrophobicContact CB-CB 4.17Å; Q383-A434 HydrophobicContact CG-CB 4.24Å
435C90.6Very high89.5Confident6 Ų651.6 Ų51.64%0.04131%0.309CS..EExtended strand (participates in β ladder)trans-140.5138.7176.4173.20000109D242 I244 C381 L382 W384D242-C435 PolarHBondContact O-SG 2.92Å; I244-C435 WeakPolarHBondContact CD1-SG 3.18Å; C381-C435 CarbonylContact C-O 3.46Å; C381-C435 WeakPolarHBondContact CA-O 3.5Å; L382-C435 PolarHBondContact N-O 2.93Å; L382-C435 PolarHBondContact O-N 3.48Å; W384-C435 HydrophobicContact CH2-CB 3.89Å; W384-C435 HydrophobicContact CZ3-CB 4.13Å
436T90.8Very high89.3Confident40 Ų4048.1 Ų48.125%0.24529%0.293CS..EExtended strand (participates in β ladder)trans-102121.8178.4-58.40000109.9T243 I244 A376 V380 T438T243-T436 WeakPolarHBondContact CA-O 3.13Å; I244-T436 PolarHBondContact N-O 3.37Å; A376-T436 HydrophobicContact CB-CG2 3.85Å; V380-T436 WeakPolarHBondContact O-CA 3.4Å; T436-T438 HydrophobicContact CG2-CG2 4.32Å
437L88Confident89.3Confident0 Ų047.9 Ų47.90%029%0.29CS..EExtended strand (participates in β ladder)trans-86.5124.2169.7-54-176.3000108.6I244 G379 V380 L382 V440 F448I244-L437 HydrophobicContact CB-CD2 3.56Å; I244-L437 HydrophobicContact CD1-CD2 3.74Å; I244-L437 HydrophobicContact CG1-CD2 4.13Å; I244-L437 HydrophobicContact CG2-CD2 3.95Å; G379-L437 WeakPolarHBondContact CA-O 3.2Å; V380-L437 PolarHBondContact N-O 2.9Å; V380-L437 PolarHBondContact O-N 3.47Å; L382-L437 HydrophobicContact CD1-CD1 3.73Å; L382-L437 HydrophobicContact CD1-CG 4.13Å; L382-L437 HydrophobicContact CG-CD1 4.22Å; L382-L437 HydrophobicContact CG-CG 4.39Å; L437-V440 HydrophobicContact CB-CG2 4.26Å; L437-F448 HydrophobicContact CD1-CD1 3.73Å; L437-F448 HydrophobicContact CD1-CE1 3.13Å; L437-F448 HydrophobicContact CD1-CZ 3.65Å
438T85.8Confident89.3Confident5 Ų544.7 Ų44.73%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-109.8169.3176.459.90000110.2T243 I244 L246 E378 T436 V440T243-T438 HydrophobicContact CG2-CG2 3.3Å; T243-T438 WeakPolarHBondContact CG2-OG1 3.32Å; I244-T438 PolarHBondContact O-N 2.73Å; I244-T438 PolarHBondContact O-OG1 3.13Å; L246-T438 PolarHBondContact N-O 2.8Å; E378-T438 HydrophobicContact CB-CG2 4.07Å; T436-T438 HydrophobicContact CG2-CG2 4.32Å; T438-V440 PolarHBondContact O-N 3.23Å
439H81.8Confident89.4Confident112 Ų11243.2 Ų43.252%0.51925%0.251SS..SBendtrans57.733.8179.6-4799.1000113.2D245 T247D245-H439 VanDerWaalsContact CG-ND1 3.33Å; D245-H439 VanDerWaalsContact OD1-CB 3.26Å; D245-H439 WeakPolarHBondContact OD1-CB 3.42Å; D245-H439 IonicContact OD1-CG 3.43Å; D245-H439 IonicContact OD1-ND1 2.74Å; D245-H439 PolarHBondContact OD1-ND1 3.31Å; D245-H439 IonicContact OD2-ND1 3.16Å; T247-H439 HydrophobicContact CG2-CB 3.63Å
440V80.3Confident89.6Confident19 Ų1939.2 Ų39.212%0.11523%0.231CC..PPolyproline II helixtrans-72.9128.2172.8-165.50000108.5L246 V380 L437 T438 A442 Y446 V470L246-V440 HydrophobicContact CD1-CB 4.17Å; L246-V440 HydrophobicContact CD1-CG1 4.01Å; L246-V440 HydrophobicContact CD1-CG2 3.76Å; V380-V440 HydrophobicContact CG2-CG2 4.21Å; L437-V440 HydrophobicContact CB-CG2 4.26Å; T438-V440 PolarHBondContact O-N 3.23Å; V440-A442 PolarHBondContact O-N 3.31Å; V440-Y446 HydrophobicContact CG1-CD1 4.32Å; V440-Y446 HydrophobicContact CG1-CD2 3.47Å; V440-Y446 VanDerWaalsContact CG1-CD2 3.47Å; V440-Y446 HydrophobicContact CG1-CE1 4.01Å; V440-Y446 HydrophobicContact CG1-CE2 3.1Å; V440-Y446 HydrophobicContact CG1-CG 4.07Å; V440-V470 HydrophobicContact CB-CG1 4.49Å; V440-V470 HydrophobicContact CB-CG2 4.18Å; V440-V470 HydrophobicContact CG1-CB 4.28Å; V440-V470 HydrophobicContact CG1-CG1 4.48Å; V440-V470 HydrophobicContact CG1-CG2 3.54Å
441Q84.1Confident89.8Confident121 Ų12134 Ų3457%0.56520%0.195SC*.PPolyproline II helixtrans-65.6129.6-179.6-52.4174.8-3.700110Y446Q441-Y446 WeakPolarHBondContact CA-OH 3.35Å; Q441-Y446 WeakPolarHBondContact CB-OH 3.43Å; Q441-Y446 PolarHBondContact N-OH 3.33Å; Q441-Y446 WeakPolarHBondContact O-CE2 3.37Å; Q441-Y446 PolarHBondContact O-OH 3.36Å
442A84.1Confident89.9Confident58 Ų5832.3 Ų32.348%0.47919%0.187SC..SBendtrans-63.8161174.100000112.1V440 N444 V470 S471V440-A442 PolarHBondContact O-N 3.31Å; A442-N444 PolarHBondContact O-N 2.98Å; A442-V470 CarbonylContact C-O 3.57Å; A442-S471 WeakPolarHBondContact CB-O 3.09Å
443N84.6Confident90Very high114 Ų11428.1 Ų28.161%0.6116%0.16SC*.SBendtrans54.741.8-175.7-63.3-48.4000114.8Y469 V470 S471N443-Y469 PolarHBondContact OD1-OH 3.37Å; N443-V470 WeakPolarHBondContact CA-O 3.45Å; N443-V470 PolarHBondContact N-O 3.46Å; N443-S471 PolarHBondContact OD1-OXT 2.85Å; N443-S471 VanDerWaalsContact OD1-OXT 3.13Å
444N86.2Confident90Very high10 Ų1027.6 Ų27.65%0.05316%0.157CC..EExtended strand (participates in β ladder)trans-143.3150.1-178.4-153.7-10000112.4A405 S406 S407 A442 Y446 V470A405-N444 WeakPolarHBondContact CB-ND2 3.16Å; S406-N444 PolarHBondContact OG-OD1 2.83Å; S407-N444 WeakPolarHBondContact CB-ND2 3.13Å; S407-N444 PolarHBondContact N-OD1 2.96Å; S407-N444 PolarHBondContact OG-ND2 2.75Å; A442-N444 PolarHBondContact O-N 2.98Å; N444-Y446 HydrophobicContact CB-CD2 4.45Å; N444-Y446 HydrophobicContact CB-CE2 3.71Å; N444-V470 PolarHBondContact N-O 2.95Å; N444-V470 VanDerWaalsContact N-O 3.09Å; N444-V470 PolarHBondContact O-N 3.07Å
445M89.3Confident89.9Confident7 Ų731.8 Ų31.83%0.03416%0.16CC..EExtended strand (participates in β ladder)trans-100.7118.5177.6-167.379-172.400109.5A405 S406 Y447 N467 Y469A405-M445 CarbonylContact C-O 3.46Å; A405-M445 WeakPolarHBondContact CA-O 3.39Å; S406-M445 PolarHBondContact N-O 2.97Å; S406-M445 WeakPolarHBondContact OG-CB 3.36Å; S406-M445 PolarHBondContact OG-N 3.24Å; M445-Y447 HydrophobicContact CB-CE2 4.48Å; M445-Y447 HydrophobicContact CG-CE2 4Å; M445-N467 HydrophobicContact CE-CB 3.57Å; M445-N467 WeakPolarHBondContact CE-OD1 3.32Å; M445-Y469 VanDerWaalsContact SD-CB 3.59Å; M445-Y469 HydrophobicContact SD-CD2 4.17Å; M445-Y469 HydrophobicContact SD-CG 4.4Å; M445-Y469 PolarHBondContact SD-N 3.03Å
446Y91.5Very high89.9Confident11 Ų1134.3 Ų34.34%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-103.9144.8177.9-67.3-96.2000111.3L246 A405 V440 Q441 N444 F448 N467 A468 V470L246-Y446 HydrophobicContact CD1-CE1 4.28Å; A405-Y446 HydrophobicContact CB-CD1 3.9Å; A405-Y446 HydrophobicContact CB-CE1 3.69Å; V440-Y446 HydrophobicContact CG1-CD1 4.32Å; V440-Y446 HydrophobicContact CG1-CD2 3.47Å; V440-Y446 VanDerWaalsContact CG1-CD2 3.47Å; V440-Y446 HydrophobicContact CG1-CE1 4.01Å; V440-Y446 HydrophobicContact CG1-CE2 3.1Å; V440-Y446 HydrophobicContact CG1-CG 4.07Å; Q441-Y446 WeakPolarHBondContact CA-OH 3.35Å; Q441-Y446 WeakPolarHBondContact CB-OH 3.43Å; Q441-Y446 PolarHBondContact N-OH 3.33Å; Q441-Y446 WeakPolarHBondContact O-CE2 3.37Å; Q441-Y446 PolarHBondContact O-OH 3.36Å; N444-Y446 HydrophobicContact CB-CD2 4.45Å; N444-Y446 HydrophobicContact CB-CE2 3.71Å; Y446-F448 VanDerWaalsContact CB-CE2 3.41Å; Y446-F448 HydrophobicContact CD1-CZ 4.35Å; Y446-F448 HydrophobicContact CG-CE2 4.48Å; Y446-F448 HydrophobicContact CG-CZ 4.05Å; Y446-N467 CarbonylContact O-C 3.51Å; Y446-N467 WeakPolarHBondContact O-CA 3.28Å; Y446-N467 WeakPolarHBondContact O-CB 3.28Å; Y446-A468 PolarHBondContact N-O 3Å; Y446-A468 PolarHBondContact O-N 2.8Å; Y446-V470 HydrophobicContact CD2-CG2 4.08Å; Y446-V470 HydrophobicContact CE2-CG2 4.28Å
447Y93.6Very high89.9Confident6 Ų639.1 Ų39.12%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-117.5136.3174.1-62.5-100000108.7V346 S403 Y404 M445 V465 V466 N467V346-Y447 HydrophobicContact CG2-CD1 4.23Å; V346-Y447 HydrophobicContact CG2-CE1 4.02Å; S403-Y447 WeakPolarHBondContact CA-O 3.37Å; S403-Y447 WeakPolarHBondContact CB-O 3.34Å; Y404-Y447 HydrophobicContact CD2-CD2 4.02Å; Y404-Y447 VanDerWaalsContact CE1-CB 3.49Å; Y404-Y447 HydrophobicContact CE1-CD2 4.07Å; Y404-Y447 AromaticContact CE1-CG 3.82Å; Y404-Y447 HydrophobicContact CE1-CG 3.82Å; Y404-Y447 AromaticContact CE2-CD2 3.35Å; Y404-Y447 HydrophobicContact CE2-CD2 3.35Å; Y404-Y447 AromaticContact CE2-CE2 3.79Å; Y404-Y447 HydrophobicContact CE2-CE2 3.79Å; Y404-Y447 AromaticContact CE2-CG 3.96Å; Y404-Y447 HydrophobicContact CE2-CG 3.96Å; Y404-Y447 AromaticContact CZ-CD2 3.38Å; Y404-Y447 AromaticContact CZ-CE2 3.98Å; Y404-Y447 AromaticContact CZ-CG 3.46Å; Y404-Y447 VanDerWaalsContact CZ-CG 3.46Å; Y404-Y447 PolarHBondContact N-O 3.48Å; Y404-Y447 PolarHBondContact O-N 2.88Å; M445-Y447 HydrophobicContact CB-CE2 4.48Å; M445-Y447 HydrophobicContact CG-CE2 4Å; Y447-V465 HydrophobicContact CD1-CG1 4.21Å; Y447-V466 WeakPolarHBondContact CA-O 3.16Å; Y447-N467 HydrophobicContact CD1-CB 3.79Å; Y447-N467 HydrophobicContact CE1-CB 4.03Å; Y447-N467 HydrophobicContact CG-CB 4.27Å
448F94.6Very high90.1Very high0 Ų039.4 Ų39.40%019%0.188CC..EExtended strand (participates in β ladder)trans-129142.7-176-57-81.3000111.7L371 I373 V380 L382 Y402 S403 L437 Y446 V466L371-F448 HydrophobicContact CD2-CB 4.24Å; I373-F448 HydrophobicContact CD1-CD2 3.78Å; I373-F448 HydrophobicContact CD1-CE2 3.95Å; V380-F448 HydrophobicContact CG1-CE2 4.3Å; L382-F448 HydrophobicContact CD1-CB 4.22Å; L382-F448 HydrophobicContact CD1-CD1 3.97Å; L382-F448 HydrophobicContact CD1-CG 4.12Å; L382-F448 HydrophobicContact CD2-CB 4.03Å; L382-F448 HydrophobicContact CD2-CD1 4.47Å; L382-F448 HydrophobicContact CD2-CD2 3.96Å; L382-F448 HydrophobicContact CD2-CG 3.89Å; Y402-F448 WeakPolarHBondContact O-CA 3.46Å; S403-F448 VanDerWaalsContact CB-CD1 3.4Å; S403-F448 VanDerWaalsContact CB-CE1 3.47Å; L437-F448 HydrophobicContact CD1-CD1 3.73Å; L437-F448 HydrophobicContact CD1-CE1 3.13Å; L437-F448 HydrophobicContact CD1-CZ 3.65Å; Y446-F448 VanDerWaalsContact CB-CE2 3.41Å; Y446-F448 HydrophobicContact CD1-CZ 4.35Å; Y446-F448 HydrophobicContact CG-CE2 4.48Å; Y446-F448 HydrophobicContact CG-CZ 4.05Å; F448-V466 HydrophobicContact CB-CG2 3.81Å; F448-V466 HydrophobicContact CD2-CG2 4.36Å; F448-V466 PolarHBondContact N-O 3.32Å; F448-V466 PolarHBondContact O-N 3.46Å
449I96.3Very high90.4Very high0 Ų041.8 Ų41.80%020%0.196CC..EExtended strand (participates in β ladder)trans-138.2151.7169.459.1-177.1000110L349 P350 Y402 W420 W462 V465L349-I449 HydrophobicContact CD2-CD1 3.9Å; L349-I449 HydrophobicContact CD2-CG2 3.88Å; P350-I449 HydrophobicContact CG-CD1 4.22Å; Y402-I449 PolarHBondContact N-O 2.86Å; Y402-I449 PolarHBondContact O-N 3.2Å; W420-I449 HydrophobicContact CD2-CD1 3.64Å; W420-I449 HydrophobicContact CD2-CG1 4.32Å; W420-I449 HydrophobicContact CE3-CD1 3.53Å; W420-I449 HydrophobicContact CE3-CG1 3.68Å; W420-I449 HydrophobicContact CG-CD1 4.24Å; W420-I449 HydrophobicContact CH2-CB 4.49Å; W420-I449 HydrophobicContact CH2-CD1 4.15Å; W420-I449 HydrophobicContact CH2-CG1 4.28Å; W420-I449 HydrophobicContact CH2-CG2 3.59Å; W420-I449 HydrophobicContact CZ2-CD1 4.24Å; W420-I449 HydrophobicContact CZ2-CG2 4.27Å; W420-I449 HydrophobicContact CZ3-CB 4.2Å; W420-I449 HydrophobicContact CZ3-CD1 3.82Å; W420-I449 HydrophobicContact CZ3-CG1 3.68Å; W420-I449 HydrophobicContact CZ3-CG2 3.76Å; I449-W462 HydrophobicContact CB-CE3 4.1Å; I449-W462 HydrophobicContact CD1-CD2 3.81Å; I449-W462 HydrophobicContact CD1-CE3 3.59Å; I449-W462 HydrophobicContact CD1-CG 4.37Å; I449-W462 HydrophobicContact CD1-CH2 4.3Å; I449-W462 HydrophobicContact CD1-CZ3 3.85Å; I449-W462 HydrophobicContact CG1-CD2 4.43Å; I449-W462 HydrophobicContact CG1-CE3 3.74Å; I449-W462 HydrophobicContact CG1-CZ3 3.89Å; I449-V465 HydrophobicContact CG2-CB 4.3Å; I449-V465 HydrophobicContact CG2-CG1 4.41Å; I449-V465 HydrophobicContact CG2-CG2 3.68Å
450V96Very high91Very high0 Ų036.5 Ų36.50%017%0.172CC..EExtended strand (participates in β ladder)trans-128.1142.1177.5175.70000109.4L371 W384 Y399 E400 I401 S463L371-V450 HydrophobicContact CD1-CG2 3.79Å; L371-V450 HydrophobicContact CD2-CG2 3.97Å; L371-V450 HydrophobicContact CG-CG2 4.47Å; W384-V450 HydrophobicContact CD2-CG1 4.38Å; W384-V450 HydrophobicContact CE3-CG2 4.28Å; W384-V450 HydrophobicContact CZ3-CG2 4.5Å; Y399-V450 HydrophobicContact CD1-CG1 3.87Å; Y399-V450 HydrophobicContact CG-CG1 4.37Å; E400-V450 WeakPolarHBondContact O-CA 3.4Å; I401-V450 HydrophobicContact CG1-CG2 4.16Å; I401-V450 HydrophobicContact CG2-CG2 4.35Å; V450-S463 PolarHBondContact N-OG 3.23Å; V450-S463 WeakPolarHBondContact O-CB 3.31Å; V450-S463 PolarHBondContact O-N 3.39Å; V450-S463 PolarHBondContact O-OG 3.31Å
451R95.8Very high91.6Very high10 Ų1038.2 Ų38.24%0.03819%0.188CC..EExtended strand (participates in β ladder)trans-131158.5163.667.4179.6-179.6-166.11.4110Y399 E400 W462Y399-R451 CarbonylContact C-O 3.51Å; Y399-R451 WeakPolarHBondContact CA-O 3.3Å; E400-R451 HydrophobicContact CB-CG 4.16Å; E400-R451 PolarHBondContact N-O 2.9Å; E400-R451 PolarHBondContact O-N 2.95Å; E400-R451 IonicContact OE2-CZ 2.78Å; E400-R451 IonicContact OE2-NE 3.39Å; E400-R451 PolarHBondContact OE2-NE 3.01Å; E400-R451 IonicContact OE2-NH2 2.72Å; E400-R451 PolarHBondContact OE2-NH2 3.29Å; R451-W462 HydrophobicContact CB-CD2 4.25Å; R451-W462 HydrophobicContact CB-CE3 3.65Å; R451-W462 HydrophobicContact CB-CH2 4.5Å; R451-W462 HydrophobicContact CB-CZ3 3.8Å; R451-W462 HydrophobicContact CG-CE3 3.9Å; R451-W462 HydrophobicContact CG-CH2 3.85Å; R451-W462 HydrophobicContact CG-CZ3 3.49Å; R451-W462 VanDerWaalsContact CG-CZ3 3.49Å; R451-W462 VanDerWaalsContact NH1-CZ2 3.27Å
452S95.1Very high92.1Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-101.1150.3178.168.20000111.5Q366 Y399 Y459 S460Q366-S452 WeakPolarHBondContact CG-OG 3.15Å; Q366-S452 PolarHBondContact NE2-OG 2.96Å; Y399-S452 VanDerWaalsContact CE1-CB 3.43Å; S452-Y459 WeakPolarHBondContact O-CA 3.4Å; S452-S460 PolarHBondContact N-OG 3.34Å; S452-S460 PolarHBondContact O-N 3.22Å; S452-S460 WeakPolarHBondContact OG-CB 3.15Å; S452-S460 PolarHBondContact OG-OG 2.98Å
453V94.7Very high92.7Very high2 Ų231 Ų311%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-124127.7177.4-171.90000108.4A396 I397 S398 E400 R458 Y459A396-V453 CarbonylContact C-O 3.45Å; A396-V453 WeakPolarHBondContact CA-O 3.34Å; I397-V453 WeakPolarHBondContact CG1-O 3.46Å; I397-V453 PolarHBondContact N-O 3.15Å; S398-V453 PolarHBondContact N-O 3.13Å; S398-V453 PolarHBondContact O-N 2.94Å; E400-V453 HydrophobicContact CG-CG2 3.9Å; V453-R458 WeakPolarHBondContact CA-O 3.49Å; V453-Y459 HydrophobicContact CG1-CE1 4.36Å; V453-Y459 HydrophobicContact CG2-CD1 3.8Å; V453-Y459 HydrophobicContact CG2-CE1 3.85Å
454D93.3Very high93.2Very high0 Ų026.7 Ų26.70%012%0.121CC..EExtended strand (participates in β ladder)trans-93.8177.417880.4-0.8000112.9L365 E394 L456 R457 R458L365-D454 HydrophobicContact CD1-CB 4.1Å; L365-D454 WeakPolarHBondContact CD1-OD2 3.29Å; E394-D454 HydrophobicContact CB-CB 4.45Å; E394-D454 HydrophobicContact CG-CB 3.87Å; D454-L456 PolarHBondContact O-N 3.42Å; D454-L456 VanDerWaalsContact O-N 3.17Å; D454-L456 VanDerWaalsContact OD1-C 3.29Å; D454-L456 VanDerWaalsContact OD1-CA 3.3Å; D454-L456 WeakPolarHBondContact OD1-CA 3.46Å; D454-L456 WeakPolarHBondContact OD1-CB 3.47Å; D454-L456 PolarHBondContact OD1-N 2.94Å; D454-R457 PolarHBondContact O-N 2.92Å; D454-R457 PolarHBondContact OD1-N 3.23Å; D454-R458 PolarHBondContact N-O 3.44Å; D454-R458 VanDerWaalsContact N-O 3.09Å; D454-R458 WeakPolarHBondContact OD1-CB 3.29Å; D454-R458 PolarHBondContact OD1-N 3.24Å; D454-R458 IonicContact OD1-NE 2.7Å; D454-R458 IonicContact OD2-CZ 2.68Å; D454-R458 IonicContact OD2-NE 3.12Å; D454-R458 PolarHBondContact OD2-NE 3.02Å; D454-R458 IonicContact OD2-NH2 2.73Å; D454-R458 PolarHBondContact OD2-NH2 2.7Å
455R92.3Very high93.6Very high147 Ų14726.9 Ų26.956%0.55512%0.123SC*.THydrogen-bonded Turntrans-61.9-21.2178.567.9171.7172170.8-9.4114.4E394 I397 R457E394-R455 HydrophobicContact CG-CG 4.27Å; E394-R455 VanDerWaalsContact OE1-CD 3.25Å; E394-R455 WeakPolarHBondContact OE1-CD 3.18Å; E394-R455 WeakPolarHBondContact OE1-CG 3.38Å; E394-R455 IonicContact OE1-CZ 3.92Å; E394-R455 VanDerWaalsContact OE1-CZ 3.31Å; E394-R455 IonicContact OE1-NE 2.79Å; E394-R455 PolarHBondContact OE1-NE 2.92Å; E394-R455 IonicContact OE1-NH2 2.66Å; E394-R455 PolarHBondContact OE1-NH2 3.45Å; E394-R455 IonicContact OE2-CZ 2.73Å; E394-R455 IonicContact OE2-NE 3.7Å; E394-R455 PolarHBondContact OE2-NE 2.99Å; E394-R455 IonicContact OE2-NH2 3.21Å; E394-R455 PolarHBondContact OE2-NH2 3.43Å; I397-R455 HydrophobicContact CG2-CB 3.96Å; R455-R457 VanDerWaalsContact C-N 3.29Å
456L89.8Confident93.8Very high58 Ų5826.5 Ų26.530%0.30412%0.121SC..THydrogen-bonded Turntrans-91.27.2177.9-58.8177.9000111.7T358 H362 D454 R458T358-L456 HydrophobicContact CG2-CD1 4.48Å; H362-L456 HydrophobicContact CB-CD1 4.21Å; H362-L456 WeakPolarHBondContact ND1-CD1 3.48Å; D454-L456 PolarHBondContact O-N 3.42Å; D454-L456 VanDerWaalsContact O-N 3.17Å; D454-L456 VanDerWaalsContact OD1-C 3.29Å; D454-L456 VanDerWaalsContact OD1-CA 3.3Å; D454-L456 WeakPolarHBondContact OD1-CA 3.46Å; D454-L456 WeakPolarHBondContact OD1-CB 3.47Å; D454-L456 PolarHBondContact OD1-N 2.94Å; L456-R458 HydrophobicContact CB-CG 4.1Å; L456-R458 PolarHBondContact O-N 3.48Å
457R90.6Very high93.9Very high141 Ų14126.2 Ų26.253%0.53212%0.12SC..  trans58.134.1-175.4-58.1-62-169.3174.31.8112.7D454 R455 Y459D454-R457 PolarHBondContact O-N 2.92Å; D454-R457 PolarHBondContact OD1-N 3.23Å; R455-R457 VanDerWaalsContact C-N 3.29Å; R457-Y459 WeakPolarHBondContact O-CE2 3.37Å
458R91.6Very high93.7Very high7 Ų725.9 Ų25.93%0.02612%0.119CC..  trans-90145.4168.9-59.4-178-59.4170.71.7109.6Q355 T358 L363 L365 V453 D454 L456Q355-R458 HydrophobicContact CG-CB 4.43Å; T358-R458 VanDerWaalsContact CG2-NH1 3.32Å; L363-R458 PolarHBondContact O-NH1 2.9Å; L363-R458 PolarHBondContact O-NH2 3.25Å; L365-R458 HydrophobicContact CD1-CB 3.61Å; L365-R458 HydrophobicContact CD2-CB 4.34Å; V453-R458 WeakPolarHBondContact CA-O 3.49Å; D454-R458 PolarHBondContact N-O 3.44Å; D454-R458 VanDerWaalsContact N-O 3.09Å; D454-R458 WeakPolarHBondContact OD1-CB 3.29Å; D454-R458 PolarHBondContact OD1-N 3.24Å; D454-R458 IonicContact OD1-NE 2.7Å; D454-R458 IonicContact OD2-CZ 2.68Å; D454-R458 IonicContact OD2-NE 3.12Å; D454-R458 PolarHBondContact OD2-NE 3.02Å; D454-R458 IonicContact OD2-NH2 2.73Å; D454-R458 PolarHBondContact OD2-NH2 2.7Å; L456-R458 HydrophobicContact CB-CG 4.1Å; L456-R458 PolarHBondContact O-N 3.48Å
459Y93.6Very high93.4Very high54 Ų5428.3 Ų28.321%0.21213%0.129CC..BIsolated β-bridgetrans-110.6125.8-173.3-59.5-83.5000111.1P353 Q355 L365 S452 V453 R457P353-Y459 HydrophobicContact CB-CD2 4.04Å; P353-Y459 HydrophobicContact CB-CE2 3.98Å; P353-Y459 HydrophobicContact CG-CD2 3.96Å; P353-Y459 HydrophobicContact CG-CE2 3.88Å; Q355-Y459 PolarHBondContact NE2-O 3.04Å; L365-Y459 VanDerWaalsContact CD2-C 3.47Å; L365-Y459 WeakPolarHBondContact CD2-O 3.27Å; S452-Y459 WeakPolarHBondContact O-CA 3.4Å; V453-Y459 HydrophobicContact CG1-CE1 4.36Å; V453-Y459 HydrophobicContact CG2-CD1 3.8Å; V453-Y459 HydrophobicContact CG2-CE1 3.85Å; R457-Y459 WeakPolarHBondContact O-CE2 3.37Å
460S92.8Very high92.9Very high2 Ų228.9 Ų28.91%0.01413%0.132CC..PPolyproline II helixtrans-60.7165.9170.766.50000111S452S452-S460 PolarHBondContact N-OG 3.34Å; S452-S460 PolarHBondContact O-N 3.22Å; S452-S460 WeakPolarHBondContact OG-CB 3.15Å; S452-S460 PolarHBondContact OG-OG 2.98Å
461A93.5Very high92.1Very high55 Ų5531.4 Ų31.446%0.45515%0.15SC..PPolyproline II helixtrans-59.2158.5159.500000110.2V368V368-A461 HydrophobicContact CG2-CB 3.83Å
462W95.6Very high91.9Very high20 Ų2032.5 Ų32.58%0.07616%0.155CC..PPolyproline II helixtrans-66.4147.5177.4-64.7109.6000111.6L349 P350 V368 Y402 I449 R451L349-W462 HydrophobicContact CD1-CB 4.09Å; L349-W462 HydrophobicContact CD1-CG 4.48Å; P350-W462 HydrophobicContact CB-CZ2 3.75Å; P350-W462 HydrophobicContact CG-CZ2 3.92Å; P350-W462 PolarHBondContact O-NE1 3Å; V368-W462 WeakPolarHBondContact CG1-O 3.17Å; Y402-W462 HydrophobicContact CD1-CH2 4.42Å; Y402-W462 AromaticContact CD2-CH2 3.57Å; Y402-W462 HydrophobicContact CD2-CH2 3.57Å; Y402-W462 AromaticContact CD2-CZ3 3.79Å; Y402-W462 HydrophobicContact CD2-CZ3 3.79Å; Y402-W462 AromaticContact CE2-CH2 3.73Å; Y402-W462 HydrophobicContact CE2-CH2 3.73Å; Y402-W462 HydrophobicContact CE2-CZ3 4.31Å; Y402-W462 AromaticContact CG-CH2 3.95Å; Y402-W462 HydrophobicContact CG-CH2 3.95Å; Y402-W462 HydrophobicContact CG-CZ3 4.22Å; I449-W462 HydrophobicContact CB-CE3 4.1Å; I449-W462 HydrophobicContact CD1-CD2 3.81Å; I449-W462 HydrophobicContact CD1-CE3 3.59Å; I449-W462 HydrophobicContact CD1-CG 4.37Å; I449-W462 HydrophobicContact CD1-CH2 4.3Å; I449-W462 HydrophobicContact CD1-CZ3 3.85Å; I449-W462 HydrophobicContact CG1-CD2 4.43Å; I449-W462 HydrophobicContact CG1-CE3 3.74Å; I449-W462 HydrophobicContact CG1-CZ3 3.89Å; R451-W462 HydrophobicContact CB-CD2 4.25Å; R451-W462 HydrophobicContact CB-CE3 3.65Å; R451-W462 HydrophobicContact CB-CH2 4.5Å; R451-W462 HydrophobicContact CB-CZ3 3.8Å; R451-W462 HydrophobicContact CG-CE3 3.9Å; R451-W462 HydrophobicContact CG-CH2 3.85Å; R451-W462 HydrophobicContact CG-CZ3 3.49Å; R451-W462 VanDerWaalsContact CG-CZ3 3.49Å; R451-W462 VanDerWaalsContact NH1-CZ2 3.27Å
463S95.9Very high91.7Very high6 Ų634.2 Ų34.24%0.04216%0.163CC..PPolyproline II helixtrans-58.9172.5168.268.30000112.3P369 V450P369-S463 VanDerWaalsContact O-CA 3.24Å; P369-S463 WeakPolarHBondContact O-CA 3.46Å; P369-S463 WeakPolarHBondContact O-CB 3.28Å; V450-S463 PolarHBondContact N-OG 3.23Å; V450-S463 WeakPolarHBondContact O-CB 3.31Å; V450-S463 PolarHBondContact O-N 3.39Å; V450-S463 PolarHBondContact O-OG 3.31Å
464N94.9Very high91.6Very high24 Ų2436 Ų3613%0.12817%0.172CC..PPolyproline II helixtrans-57.5156.3157.961.8-67.9000110.6N290 L371N290-N464 PolarHBondContact ND2-ND2 3.35Å; L371-N464 PolarHBondContact N-OD1 3.16Å; L371-N464 PolarHBondContact O-ND2 2.95Å; L371-N464 PolarHBondContact O-OD1 3.47Å
465V94.7Very high91.5Very high14 Ų1438.1 Ų38.19%0.08518%0.182CC..EExtended strand (participates in β ladder)trans-86.4132.1176.2-174.60000109.2V291 V346 L349 W420 Y447 I449V291-V465 PolarHBondContact N-O 3.38Å; V346-V465 HydrophobicContact CG1-CB 4.24Å; V346-V465 HydrophobicContact CG1-CG1 3.87Å; V346-V465 HydrophobicContact CG1-CG2 3.93Å; L349-V465 HydrophobicContact CD2-CG2 3.97Å; W420-V465 HydrophobicContact CH2-CG1 4Å; W420-V465 HydrophobicContact CH2-CG2 4.38Å; Y447-V465 HydrophobicContact CD1-CG1 4.21Å; I449-V465 HydrophobicContact CG2-CB 4.3Å; I449-V465 HydrophobicContact CG2-CG1 4.41Å; I449-V465 HydrophobicContact CG2-CG2 3.68Å
466V93.9Very high91.4Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-117.9154.3170.8-51.20000109N290 L371 I373 L382 Y447 F448N290-V466 WeakPolarHBondContact OD1-CG1 3.47Å; L371-V466 HydrophobicContact CB-CG1 4.06Å; L371-V466 HydrophobicContact CD2-CB 4.45Å; L371-V466 HydrophobicContact CD2-CG1 4.09Å; L371-V466 HydrophobicContact CD2-CG2 3.56Å; L371-V466 HydrophobicContact CG-CB 4.48Å; L371-V466 HydrophobicContact CG-CG1 3.79Å; L371-V466 HydrophobicContact CG-CG2 3.79Å; L371-V466 VanDerWaalsContact O-CG1 3.25Å; L371-V466 WeakPolarHBondContact O-CG1 3.3Å; I373-V466 HydrophobicContact CB-CB 4.19Å; I373-V466 HydrophobicContact CB-CG2 3.93Å; I373-V466 HydrophobicContact CD1-CG2 4.06Å; I373-V466 HydrophobicContact CG2-CB 3.88Å; I373-V466 HydrophobicContact CG2-CG2 4.16Å; L382-V466 HydrophobicContact CD2-CG2 4.2Å; Y447-V466 WeakPolarHBondContact CA-O 3.16Å; F448-V466 HydrophobicContact CB-CG2 3.81Å; F448-V466 HydrophobicContact CD2-CG2 4.36Å; F448-V466 PolarHBondContact N-O 3.32Å; F448-V466 PolarHBondContact O-N 3.46Å
467N92.4Very high91.5Very high4 Ų429.5 Ų29.52%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-138.6157.1176.665.247.4000111.6I289 V291 M445 Y446 Y447I289-N467 VanDerWaalsContact CB-OD1 3.25Å; I289-N467 WeakPolarHBondContact CB-OD1 3.07Å; I289-N467 PolarHBondContact N-O 3.41Å; I289-N467 VanDerWaalsContact N-O 3.17Å; I289-N467 PolarHBondContact N-OD1 2.88Å; I289-N467 PolarHBondContact O-N 3.46Å; I289-N467 PolarHBondContact O-ND2 2.94Å; I289-N467 PolarHBondContact O-OD1 3.42Å; V291-N467 VanDerWaalsContact CG2-ND2 3.31Å; V291-N467 WeakPolarHBondContact CG2-ND2 3.4Å; M445-N467 HydrophobicContact CE-CB 3.57Å; M445-N467 WeakPolarHBondContact CE-OD1 3.32Å; Y446-N467 CarbonylContact O-C 3.51Å; Y446-N467 WeakPolarHBondContact O-CA 3.28Å; Y446-N467 WeakPolarHBondContact O-CB 3.28Å; Y447-N467 HydrophobicContact CD1-CB 3.79Å; Y447-N467 HydrophobicContact CE1-CB 4.03Å; Y447-N467 HydrophobicContact CG-CB 4.27Å
468A90Very high91.6Very high0 Ų021.6 Ų21.60%012%0.122CC..EExtended strand (participates in β ladder)trans-142.6131.7176.300000110.4I286 S287 I373 V380 Y446I286-A468 HydrophobicContact CG2-CB 3.78Å; S287-A468 WeakPolarHBondContact O-CA 3.37Å; I373-A468 HydrophobicContact CD1-CB 3.49Å; I373-A468 VanDerWaalsContact CD1-CB 3.49Å; I373-A468 HydrophobicContact CG1-CB 4.37Å; V380-A468 HydrophobicContact CG1-CB 4.4Å; V380-A468 HydrophobicContact CG2-CB 4.36Å; Y446-A468 PolarHBondContact N-O 3Å; Y446-A468 PolarHBondContact O-N 2.8Å
469Y88.6Confident91.6Very high51 Ų5122.7 Ų22.720%0.213%0.129CC..EExtended strand (participates in β ladder)trans-85.6122.2164.5-175.8-104.3000108.6I286 S287 N443 M445I286-Y469 VanDerWaalsContact CA-O 3.27Å; I286-Y469 WeakPolarHBondContact CA-O 3.33Å; S287-Y469 PolarHBondContact N-O 2.89Å; S287-Y469 PolarHBondContact O-N 3.35Å; N443-Y469 PolarHBondContact OD1-OH 3.37Å; M445-Y469 VanDerWaalsContact SD-CB 3.59Å; M445-Y469 HydrophobicContact SD-CD2 4.17Å; M445-Y469 HydrophobicContact SD-CG 4.4Å; M445-Y469 PolarHBondContact SD-N 3.03Å
470V85.4Confident91.4Very high12 Ų1220.1 Ų20.17%0.07312%0.122CC..EExtended strand (participates in β ladder)trans-100.1120.6172-174.30000107.4I286 V380 V440 A442 N443 N444 Y446I286-V470 HydrophobicContact CD1-CG2 4.49Å; I286-V470 HydrophobicContact CG1-CG1 4.4Å; I286-V470 HydrophobicContact CG1-CG2 4.23Å; V380-V470 HydrophobicContact CG2-CG2 4.01Å; V440-V470 HydrophobicContact CB-CG1 4.49Å; V440-V470 HydrophobicContact CB-CG2 4.18Å; V440-V470 HydrophobicContact CG1-CB 4.28Å; V440-V470 HydrophobicContact CG1-CG1 4.48Å; V440-V470 HydrophobicContact CG1-CG2 3.54Å; A442-V470 CarbonylContact C-O 3.57Å; N443-V470 WeakPolarHBondContact CA-O 3.45Å; N443-V470 PolarHBondContact N-O 3.46Å; N444-V470 PolarHBondContact N-O 2.95Å; N444-V470 VanDerWaalsContact N-O 3.09Å; N444-V470 PolarHBondContact O-N 3.07Å; Y446-V470 HydrophobicContact CD2-CG2 4.08Å; Y446-V470 HydrophobicContact CE2-CG2 4.28Å
471S79.1Confident91.3Very high53 Ų5321.7 Ų21.737%0.37113%0.132SC..  trans-91.70179.254.60000113.9G284 I285 A442 N443G284-S471 WeakPolarHBondContact CA-O 3.46Å; I285-S471 WeakPolarHBondContact CA-OG 3.47Å; I285-S471 PolarHBondContact N-OG 2.96Å; I285-S471 PolarHBondContact O-OG 3.36Å; A442-S471 WeakPolarHBondContact CB-O 3.09Å; N443-S471 PolarHBondContact OD1-OXT 2.85Å; N443-S471 VanDerWaalsContact OD1-OXT 3.13Å

Retrieved 471 of 471 residues in 102.7 ms (Link to these results)