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Isoform 2 of Synaptotagmin-like protein 3 AlphaSync

Canonical isoform description: May act as Rab effector protein and play a role in vesicle trafficking. Binds phospholipids in the presence of calcium ions.

AlphaFold DB , UniProt , Accession Q99N48-2 (canonical: Q99N48), Species MOUSE (Mus musculus, Mouse), Gene Sytl3, Length 412 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low51.8Low237 Ų237167.9 Ų167.9100%1.16783%0.83SS**  0161.40-64.1176.2-17800109.2
2R52.1Low51Low251 Ų251164.3 Ų164.395%0.94783%0.825SS**  trans49.9102.3167.9-66-176.6176.8172.3-0.5118.3
3K44.7Very low50.4Low202 Ų202160.2 Ų160.288%0.87882%0.821SS**  trans-96158.5146-70.2-179.5176.11790109
4L46.8Very low49.8Very low175 Ų175159.2 Ų159.292%0.91681%0.811SS**  trans167157.3151.1-90158000106.5
5S65.1Low49.5Very low107 Ų107157.7 Ų157.775%0.74880%0.797SS**  cis-139.9179.529.6-166.30000113.8
6K43.6Very low49.1Very low198 Ų198156.3 Ų156.386%0.86179%0.786SS**  trans-162.8123.7-177.5-137.2-164.9-173.1-165.60111.2
7S57.6Low48.7Very low104 Ų104154.9 Ų154.973%0.72778%0.781SS**  trans169.1162.416552.70000110.1
8Q49.7Very low48.4Very low159 Ų159154.8 Ų154.874%0.74378%0.782SS**  cis-161.1163-28.3-117.2-176.3-93.800110.5
9N50.6Low48Very low123 Ų123150.6 Ų150.666%0.65877%0.774SS**  trans69.7161.3154.5-65.213.9000117.7
10D58.5Low47.7Very low131 Ų131152.5 Ų152.570%0.70178%0.781SS**  cis-149.9155.720.1-139.3-2.8000117.7
11M57.2Low47.1Very low160 Ų160151.9 Ų151.979%0.78878%0.78SS**  trans54.1160.4155-77.7-60.1174.600126.2
12T43Very low47.2Very low124 Ų124144.6 Ų144.676%0.76175%0.75SS**  trans-151.4152.1-16652.60000114.5
13S43.1Very low46.7Very low111 Ų111142.6 Ų142.678%0.77674%0.743SS**  trans-170129.9149.2-79.80000108.4
14E42.5Very low46.5Very low147 Ų147141.1 Ų141.169%0.68774%0.739SS**  58.6135.778.9-73.4-148.212300113.9
15K44.3Very low45.9Very low136 Ų136138 Ų13859%0.59173%0.73SS**  cis-156.5-172.516.8-119.8156.9169.2135.30108.7
16H43.2Very low44.5Very low135 Ų135139.6 Ų139.663%0.62574%0.735SS**  cis-164.3140.76.6-118.5-44.1000108.4
17L43.3Very low44.3Very low134 Ų134133.8 Ų133.870%0.70273%0.732SS**  trans60.1154.9141.2-53.6-179.9000121.2
18L41.9Very low43.4Very low152 Ų152136.8 Ų136.880%0.79673%0.734SS**  cis-168.4170.2-15.5-91.9164.8000105.7
19A41.6Very low42.9Very low76 Ų76135.6 Ų135.663%0.62874%0.738SS**  cis-177.3-174.9-36.200000110.6
20M42.3Very low42.5Very low187 Ų187137 Ų13792%0.92174%0.74SS**  trans86.5153167.1-54.4-151.371.400119.1
21D34.6Very low41.7Very low140 Ų140143 Ų14375%0.74975%0.753SS**  trans-170.3-156.4-149.3-17336.2000107.9
22P46.6Very low40.9Very low85 Ų85145.3 Ų145.355%0.55275%0.753SS**  -99.7171.7-82.629.6-16.9000114.5
23R40.7Very low41.1Very low208 Ų208144.6 Ų144.679%0.78575%0.754SS**  158.7141.6118.8-88.6170.4-174.4-165.12.3116
24Q39.8Very low40.8Very low172 Ų172146.4 Ų146.480%0.80475%0.749SS**  trans62.5162.8142.4-70.2171.4-20.400119.2
25C34.6Very low41.4Very low109 Ų109144.5 Ų144.574%0.73675%0.752SS**  cis-163146.2-40.2-1610000108.8
26V36.8Very low41.3Very low140 Ų140145.2 Ų145.285%0.84876%0.763SS**  trans25.6115.6161.9178.80000119
27G38.7Very low41.9Very low77 Ų77144.5 Ų144.579%0.79477%0.768SS**  trans-160.293.2171.600000114.5
28H37.6Very low41.7Very low167 Ų167143 Ų14377%0.77378%0.775SS**  trans-73.9131.3-174.3179.3-79000114.1
29T40.9Very low42.2Very low134 Ų134141.9 Ų141.982%0.82277%0.774SS**  trans-160.5157145.8-1.80000113.9
30E40.8Very low42.1Very low152 Ų152145.1 Ų145.171%0.7178%0.781SS**  trans-83.1156.6-169.5-52.1157.195.100113.6
31R43.4Very low42.2Very low257 Ų257142.6 Ų142.697%0.9778%0.776SS**  -152.6146.3116.6-115.3174.9-173.5-155.30.3113.5
32R38.9Very low42.4Very low208 Ų208141.6 Ų141.679%0.78578%0.775SS**  trans-107.8141.4-168.3-177-178.3-173.5162.2-1.6109.2
33S46.6Very low42.2Very low110 Ų110142.7 Ų142.777%0.76979%0.785SS**  trans-148.3125160.7-166.20000110.3
34Q38.7Very low42.2Very low148 Ų148144.1 Ų144.169%0.69279%0.79SS**  trans-118.7144.8167.6-70.1178.4-79.700107
35S54.4Low42.1Very low107 Ų107145.7 Ų145.775%0.74879%0.794SS**  trans-141.568.8178.9-59.30000110.7
36D42Very low42.3Very low151 Ų151145.3 Ų145.381%0.80780%0.799SS**  trans-71135.3155.9-78-57.7000108.8
37T55.1Low42.4Very low120 Ų120143.6 Ų143.674%0.73679%0.793SS**  trans-147.792.5169-55.40000109.6V39T37-V39 HydrophobicContact CG2-CG1 4.4Å
38A40.1Very low42.8Very low102 Ų102146 Ų14684%0.84379%0.792SS**  trans-83.5132163.600000109.2
39V52.7Low43.1Very low130 Ų130142.6 Ų142.679%0.78879%0.785SS**  trans-127.9121.9167.9-80.60000109.7T37T37-V39 HydrophobicContact CG2-CG1 4.4Å
40N39.3Very low42.8Very low143 Ų143143.1 Ų143.177%0.76578%0.783SS**  trans-113.5120.2177.9174.213000107.8
41V44.7Very low43Very low135 Ų135144 Ų14482%0.81879%0.79SS**  trans-133.5126.8174.3-178.90000109
42T37.4Very low42.9Very low119 Ų119139.4 Ų139.473%0.7378%0.784SS**  trans-111.9132.4-177.746.40000111.7
43S43.8Very low42.9Very low108 Ų108139 Ų13976%0.75579%0.789SS**  trans-155.4107.115942.20000107.2
44R40.3Very low42.2Very low238 Ų238137.5 Ų137.590%0.89878%0.783SS**  73.392.177.3-78.1-165.6174.6-165.71.3114.6
45K37.5Very low42.1Very low205 Ų205140.2 Ų140.289%0.89179%0.793SS**  trans45.6120.8140.3-67.7-172.3173-172.10120.1
46A39.5Very low41.4Very low100 Ų100143.7 Ų143.783%0.82680%0.797SS**  -140139.9123.600000109.5
47S39Very low41.3Very low105 Ų105145.4 Ų145.473%0.73480%0.8SS**  trans-99.6178.7163.8-520000107.5
48T46.1Very low40.5Very low126 Ų126148.1 Ų148.177%0.77380%0.804SS**  cis-179.4-178.330.5-0.40000105.3
49P43.4Very low40.8Very low96 Ų96150.4 Ų150.462%0.62380%0.802SS**  cis-131.8-168.2-4940.6-22.6000112.5
50D36.1Very low40.3Very low146 Ų146148.4 Ų148.478%0.78179%0.792SS**  trans44133.3147.9-53.9-32.8000123.8
51I44.1Very low40.4Very low169 Ų169150 Ų15087%0.86779%0.792SS**  -156.6139.7113.8-101.3157.4000111.4
52L41.8Very low40.1Very low161 Ų161152.3 Ų152.384%0.84379%0.794SS**  trans-57.5144.9-174.3-56.8160.5000115.5
53K37.8Very low40.8Very low201 Ų201151.8 Ų151.887%0.87479%0.792SS**  -165.5134.2111.2-110.1173.3-178.3178.60112.7
54A33Very low40.7Very low78 Ų78152.5 Ų152.565%0.64579%0.794SS**  trans-109.4154.9171.500000110.4
55F36.8Very low40.8Very low205 Ų205149 Ų14990%0.89979%0.793SS**  trans-140.3112.3153.3-98.4-77.9000107.7
56H39.1Very low41Very low180 Ų180144.3 Ų144.383%0.83378%0.784SS**  trans-82.8149.3159.8-81.3-108.7000108.5
57Q39.8Very low41.2Very low186 Ų186144.8 Ų144.887%0.86978%0.776SS**  trans-135.3153.9148.8-167.616321.200108.2
58E38.4Very low41.3Very low177 Ų177147.2 Ų147.283%0.82778%0.78SS**  trans-86.6134.2-157.9-64.2152.1115.400113.8
59D45.5Very low41Very low150 Ų150149.4 Ų149.480%0.80278%0.779SS**  -0.6168.8118.4-108-19.7000119.2
60P43.7Very low40.7Very low88 Ų88153 Ų15357%0.57179%0.787SS**  cis-141.9-165.5-9.833.7-10.7000114.8
61K40.8Very low40.9Very low176 Ų176152.2 Ų152.277%0.76578%0.783SS**  trans79.8109154.8-64.9160.9-175.5172.10119.3
62H38.1Very low40.5Very low185 Ų185150.2 Ų150.286%0.85678%0.779SS**  -150.7149.590-115.7-89.5000111.5
63P52.5Low40.5Very low108 Ų108147.8 Ų147.870%0.70177%0.773SS**  trans-90.2169.2-174.8-4.926.1000114.1
64P42.6Very low40.8Very low123 Ų123143.9 Ų143.980%0.79977%0.768SS**  trans-93.5167.4178.338.6-35.5000113.6
65D41.2Very low41.1Very low163 Ų163146 Ų14687%0.87278%0.778SS**  trans-137.8150.1162.9-114.2-39.1000111.4
66P42.9Very low41.1Very low107 Ų107141.6 Ų141.670%0.69577%0.773SS**  trans-125.6-168.1-172.830.9-8.2000114.7
67V42.1Very low41.3Very low110 Ų110138.5 Ų138.567%0.66777%0.769SS**  trans81101.3161-167.80000119.2K69V67-K69 HydrophobicContact CG1-CD 4.23Å; V67-K69 HydrophobicContact CG1-CG 4.1Å
68L41Very low40.9Very low157 Ų157135.5 Ų135.582%0.82276%0.763SS**  -158.3112.3122.4-151.270.2000106.5
69K39.9Very low41Very low172 Ų172135.7 Ų135.775%0.74876%0.764SS**  70.2144.463.9-76.6-168.2173.7-175.30114.6V67V67-K69 HydrophobicContact CG1-CD 4.23Å; V67-K69 HydrophobicContact CG1-CG 4.1Å
70Q38.7Very low40.9Very low171 Ų171133.1 Ų133.180%0.79976%0.758SS**  trans72.9131.4-168.6-55.8-166.1-102.900114.8
71D38.2Very low40.5Very low130 Ų130133.4 Ų133.470%0.69577%0.767SS**  cis-148172.7-10.5-118.8-42.1000114.8
72T37.4Very low40.4Very low126 Ų126130.8 Ų130.877%0.77377%0.766SS**  trans-90.9149.2-159.5-59.20000114.1
73P42Very low40.5Very low111 Ų111132.2 Ų132.272%0.72177%0.77SS**  trans-97.3-146.3-178.844.6-39.6000109.9
74P43.5Very low39.8Very low118 Ų118132.6 Ų132.677%0.76678%0.775SS**  cis-125.9-178.2-24.240.8-25.8000113.4
75S38.1Very low39.4Very low122 Ų122130.7 Ų130.785%0.85378%0.778SS**  trans-126.8121.8161.762.40000111.3
76S37.7Very low39.4Very low114 Ų114126.6 Ų126.680%0.79777%0.774SS**  trans-98-179.1-172.762.40000112.5
77P42.5Very low39.2Very low115 Ų115128.7 Ų128.775%0.74778%0.779SS**  trans-114-164.2-150.343.4-37000115.1
78T31.9Very low39.1Very low122 Ų122134.5 Ų134.575%0.74879%0.789SS**  trans94.8118.4160.2-36.80000116.2
79H41.5Very low39.2Very low181 Ų181136 Ų13684%0.83879%0.791SS**  trans-146.7136.6146.9-104.5-80.6000111.1
80S42.7Very low38.8Very low97 Ų97131.2 Ų131.268%0.67879%0.79SS**  trans9119.6157.649.40000118.5
81A34.5Very low38.8Very low93 Ų93127.1 Ų127.177%0.76978%0.781SS**  cis78.1145.641.700000115.9
82V38.7Very low39Very low121 Ų121129.3 Ų129.373%0.73379%0.792SS**  trans66.8108.2172.3-163.60000117.2
83F40.1Very low39.2Very low216 Ų216130.6 Ų130.695%0.94779%0.792SS**  -153.2126.6125.9-101.3-67.4000109.8
84S37.6Very low38.7Very low115 Ų115130.4 Ų130.480%0.80479%0.794SS**  trans-116.8151.6-176.9-63.40000110.7
85G36.2Very low38.8Very low83 Ų83131.4 Ų131.486%0.85679%0.791SS**  trans9695.9162.700000115.6
86G39.9Very low38.6Very low77 Ų77132.4 Ų132.479%0.79479%0.787SS**  trans-160.2108.8167.100000109.8
87L38.9Very low38.5Very low152 Ų152131.4 Ų131.480%0.79678%0.78SS**  trans-85.9157.9-177.1-69.377000111.4
88R40.3Very low37.9Very low232 Ų232131 Ų13188%0.87578%0.776SS**  trans70.6100.3164.1-44.2178.9-171.5177.52.2116.1
89H42.1Very low38.1Very low187 Ų187131.4 Ų131.487%0.86678%0.782SS**  -166.9159.187.1-144.2-97.2000110.8
90G33.2Very low38.1Very low72 Ų72128.8 Ų128.874%0.74278%0.778SS**  trans-75.2134-177.500000113.7
91S37.9Very low38.3Very low86 Ų86128 Ų12860%0.60176%0.764SS**  trans-144.189.7171.8-173.50000111.3I93S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 3.25Å; S91-I93 VanDerWaalsContact O-N 3.16Å
92L42.5Very low38.7Very low175 Ų175132.1 Ų132.192%0.91677%0.77SS**  trans-86.850.5-177.9-68.4172.5000112.8
93I41.8Very low38.7Very low153 Ų153128.2 Ų128.279%0.78575%0.754SS**  trans-136.844179.954.1169.1000113.8S91S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 3.25Å; S91-I93 VanDerWaalsContact O-N 3.16Å
94S32.2Very low39Very low108 Ų108126.1 Ų126.176%0.75575%0.752SS**  trans-134.360.7173.549.40000112.8
95I45.1Very low40Very low139 Ų139124.2 Ų124.271%0.71373%0.73SS**  trans-135.7125173.536.6172.6000112.5
96N34.3Very low41.3Very low143 Ų143123.8 Ų123.877%0.76571%0.708SS**  trans57.9108.7131.1-60.3-0.7000118.2
97S35Very low42.6Very low93 Ų93124.8 Ų124.865%0.6570%0.695SS**  97.1126.758.270.50000113.5C99S97-C99 PolarHBondContact O-N 2.94Å
98T30.3Very low44.3Very low107 Ų107118.4 Ų118.466%0.65666%0.664SS**  trans58.251.2145.5-37.70000117.8
99C36.1Very low46.5Very low129 Ų129114.4 Ų114.487%0.87266%0.66SS**  trans-130.7161.4161.2-92.70000112.5S97S97-C99 PolarHBondContact O-N 2.94Å
100T41.1Very low48.9Very low126 Ų126107.2 Ų107.277%0.77363%0.629SS**  trans-74.8135.4-172.443.20000114M102T100-M102 PolarHBondContact O-N 3.07Å
101E45.9Very low51.8Low81 Ų81106.9 Ų106.938%0.37961%0.613SS.*SBendtrans39.81.9154.1-130.7-164.8140.800122.1R159 K240E101-R159 IonicContact OE1-NH1 3.61Å; E101-R159 WeakPolarHBondContact OE2-CD 3.29Å; E101-R159 IonicContact OE2-CZ 2.76Å; E101-R159 IonicContact OE2-NE 2.65Å; E101-R159 IonicContact OE2-NH1 3.8Å; E101-R159 PolarHBondContact OE2-NH1 2.72Å; E101-K240 IonicContact OE1-NZ 3.41Å; E101-K240 PolarHBondContact OE1-NZ 2.79Å
102M43Very low54.6Low179 Ų179103.7 Ų103.788%0.88259%0.594SS**  trans-105.845.1-176.5-159.868.176.300111.6T100T100-M102 PolarHBondContact O-N 3.07Å
103G40.1Very low57.3Low39 Ų3998.2 Ų98.240%0.40256%0.564SS.*  trans-87.8138.9168.200000109.8F105G103-F105 VanDerWaalsContact O-CD2 3.25Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 PolarHBondContact O-N 3.4Å
104N45.8Very low60Low172 Ų17291 Ų9192%0.9253%0.526SS*.  trans-65.687.9167.6-76.84.1000109.3
105F58.4Low63.1Low75 Ų7588 Ų8833%0.32950%0.501SS..PPolyproline II helixtrans-91.2126.8165-52.9-61.8000107.6G103 W201 R209G103-F105 VanDerWaalsContact O-CD2 3.25Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 PolarHBondContact O-N 3.4Å; F105-W201 HydrophobicContact CB-CZ3 4.29Å; F105-W201 HydrophobicContact CD1-CZ3 4.42Å; F105-W201 HydrophobicContact CD2-CH2 4.22Å; F105-W201 HydrophobicContact CD2-CZ3 4.07Å; F105-W201 AromaticContact CG-CZ3 3.99Å; F105-W201 HydrophobicContact CG-CZ3 3.99Å; F105-R209 HydrophobicContact CD1-CB 3.93Å; F105-R209 HydrophobicContact CE1-CB 4.16Å
106D63.9Low65.6Low74 Ų7481.4 Ų81.440%0.39647%0.467SS..EExtended strand (participates in β ladder)trans-63.5140.1169.4-45.465.2000109.3R208 V210 F211D106-R208 IonicContact OD1-CZ 2.69Å; D106-R208 IonicContact OD1-NE 3.67Å; D106-R208 PolarHBondContact OD1-NE 2.84Å; D106-R208 IonicContact OD1-NH2 3.52Å; D106-R208 PolarHBondContact OD1-NH2 2.85Å; D106-R208 IonicContact OD2-CZ 3.56Å; D106-R208 IonicContact OD2-NE 2.8Å; D106-R208 IonicContact OD2-NH2 3.36Å; D106-R208 PolarHBondContact OD2-NH2 2.85Å; D106-V210 HydrophobicContact CB-CG1 4.3Å; D106-V210 HydrophobicContact CB-CG2 4.14Å; D106-V210 WeakPolarHBondContact O-CA 3.37Å; D106-V210 VanDerWaalsContact O-CG1 3.27Å; D106-V210 WeakPolarHBondContact O-CG1 3.2Å; D106-F211 PolarHBondContact O-N 2.8Å
107N66.7Low68.5Low99 Ų9974.8 Ų74.853%0.52943%0.432SS..EExtended strand (participates in β ladder)trans-90.9130.7167.9-68.8-31.8000108.3
108A75.5Confident71.3Confident17 Ų1770.3 Ų70.314%0.1440%0.401CS..PPolyproline II helixtrans-77.2162.3163.100000110.1V110 A138 V210 F211 L212A108-V110 PolarHBondContact O-N 3.12Å; A108-A138 HydrophobicContact CB-CB 3.98Å; A108-V210 HydrophobicContact CB-CG1 4.09Å; A108-F211 PolarHBondContact N-O 2.85Å; A108-L212 HydrophobicContact CB-CD2 3.84Å
109N86.1Confident74.3Confident149 Ų14968.1 Ų68.180%0.79738%0.383SS*.  trans-64101.7163.2-68.9-12.9000107.5T111 A138N109-T111 PolarHBondContact O-N 2.73Å; N109-A138 WeakPolarHBondContact O-CB 3.35Å
110V91.7Very high76.9Confident35 Ų3563 Ų6321%0.21235%0.345CS..  trans-65124.1-170.7171.80000111.1A108 F211 L212 L237 A239A108-V110 PolarHBondContact O-N 3.12Å; V110-F211 HydrophobicContact CG2-CD1 4.34Å; V110-F211 HydrophobicContact CG2-CE1 4.22Å; V110-L212 WeakPolarHBondContact CG1-O 3.46Å; V110-L237 HydrophobicContact CG1-CB 3.88Å; V110-L237 WeakPolarHBondContact CG1-O 3.29Å; V110-A239 HydrophobicContact CG2-CB 4.31Å
111T94.6Very high79.3Confident66 Ų6659.1 Ų59.141%0.40532%0.323SS..  trans-137.5162.9174.765.40000110.6N109 N136 A138N109-T111 PolarHBondContact O-N 2.73Å; T111-N136 CarbonylContact C-O 3.53Å; T111-N136 WeakPolarHBondContact CB-O 3.25Å; T111-N136 PolarHBondContact OG1-O 2.78Å; T111-A138 PolarHBondContact OG1-N 2.93Å; T111-A138 VanDerWaalsContact OG1-N 3.12Å
112G96.8Very high81.3Confident19 Ų1960.3 Ų60.320%0.19634%0.335CS..  trans91.7-176.7170.200000114.4K135 N136 L237G112-K135 WeakPolarHBondContact CA-O 3.34Å; G112-N136 VanDerWaalsContact CA-O 3.25Å; G112-N136 WeakPolarHBondContact CA-O 3.34Å; G112-N136 PolarHBondContact N-O 2.87Å; G112-L237 WeakPolarHBondContact O-CB 3.25Å; G112-L237 PolarHBondContact O-N 3.01Å
113E98.2Very high83.5Confident60 Ų6061.8 Ų61.828%0.2834%0.337SS..EExtended strand (participates in β ladder)trans-136.1156.2-174.4-49.3-165.887.300110C134 K135 W234 Y235E113-C134 CarbonylContact O-C 3.18Å; E113-C134 VanDerWaalsContact O-CA 3.23Å; E113-C134 WeakPolarHBondContact O-CA 3.32Å; E113-C134 WeakPolarHBondContact O-CB 3.47Å; E113-K135 HydrophobicContact CB-CG 4.4Å; E113-K135 PolarHBondContact N-O 2.93Å; E113-K135 PolarHBondContact O-N 2.82Å; E113-K135 WeakPolarHBondContact OE2-CE 3.44Å; E113-K135 IonicContact OE2-NZ 2.75Å; E113-K135 PolarHBondContact OE2-NZ 2.9Å; E113-W234 HydrophobicContact CB-CE3 3.59Å; E113-W234 HydrophobicContact CB-CZ3 4.04Å; E113-Y235 VanDerWaalsContact CA-O 3.3Å; E113-Y235 WeakPolarHBondContact CA-O 3.45Å
114I98.6Very high85.9Confident0 Ų062.4 Ų62.40%034%0.335CS..EExtended strand (participates in β ladder)trans-120.5136.3173.9-177170.7000110.2F116 I131 V151 V198 V200 V215 W234 Y235 L237I114-F116 HydrophobicContact CD1-CD1 4.37Å; I114-F116 HydrophobicContact CG1-CD1 4.11Å; I114-F116 HydrophobicContact CG2-CD1 4.1Å; I114-F116 HydrophobicContact CG2-CE1 4Å; I114-I131 HydrophobicContact CD1-CG2 4.38Å; I114-V151 HydrophobicContact CD1-CG1 4.13Å; I114-V151 HydrophobicContact CD1-CG2 3.77Å; I114-V198 HydrophobicContact CD1-CG1 3.81Å; I114-V200 HydrophobicContact CD1-CG2 4.07Å; I114-V215 HydrophobicContact CG2-CG2 3.77Å; I114-W234 WeakPolarHBondContact O-CA 3.49Å; I114-Y235 PolarHBondContact N-O 2.99Å; I114-Y235 PolarHBondContact O-N 3.32Å; I114-L237 HydrophobicContact CB-CD2 4.15Å; I114-L237 HydrophobicContact CG2-CD2 3.65Å; I114-L237 HydrophobicContact CG2-CG 4.41Å
115E98.2Very high88.1Confident47 Ų4756.9 Ų56.922%0.2231%0.309CS..EExtended strand (participates in β ladder)trans-101.8125.5172.5-167.8-174.9-114.600110.4K132 T133 A232 R233 W234E115-K132 HydrophobicContact CB-CB 4.13Å; E115-K132 HydrophobicContact CG-CB 4.1Å; E115-K132 HydrophobicContact CG-CG 4.43Å; E115-K132 WeakPolarHBondContact O-CB 3.37Å; E115-K132 PolarHBondContact O-N 2.85Å; E115-K132 WeakPolarHBondContact OE2-CB 3.11Å; E115-T133 HydrophobicContact CB-CG2 4.1Å; E115-T133 PolarHBondContact N-O 3.17Å; E115-T133 PolarHBondContact O-N 2.87Å; E115-A232 HydrophobicContact CG-CB 4.06Å; E115-R233 WeakPolarHBondContact CA-O 3.22Å; E115-W234 HydrophobicContact CB-CD2 3.76Å; E115-W234 HydrophobicContact CB-CE3 3.91Å; E115-W234 HydrophobicContact CB-CG 4.34Å; E115-W234 HydrophobicContact CB-CH2 4.04Å; E115-W234 HydrophobicContact CB-CZ2 3.83Å; E115-W234 HydrophobicContact CB-CZ3 4.04Å; E115-W234 HydrophobicContact CG-CD2 4.24Å; E115-W234 HydrophobicContact CG-CG 4.4Å; E115-W234 HydrophobicContact CG-CZ2 4.39Å; E115-W234 PolarHBondContact OE1-NE1 2.91Å
116F97.6Very high89.7Confident0 Ų053.4 Ų53.40%029%0.294CS..EExtended strand (participates in β ladder)trans-153.5160.5172.164.1-84.3000112.6I114 I118 I129 C130 I131 L196 V198 V215 L217 A232 R233 Y235I114-F116 HydrophobicContact CD1-CD1 4.37Å; I114-F116 HydrophobicContact CG1-CD1 4.11Å; I114-F116 HydrophobicContact CG2-CD1 4.1Å; I114-F116 HydrophobicContact CG2-CE1 4Å; F116-I118 HydrophobicContact CD2-CG1 4.04Å; F116-I118 HydrophobicContact CE2-CD1 4.03Å; F116-I118 HydrophobicContact CE2-CG1 3.91Å; F116-I129 HydrophobicContact CD2-CG2 3.86Å; F116-I129 HydrophobicContact CE2-CG2 4.48Å; F116-C130 CarbonylContact C-O 3.46Å; F116-C130 WeakPolarHBondContact CA-O 3.4Å; F116-C130 VanDerWaalsContact CB-O 3.27Å; F116-C130 WeakPolarHBondContact CB-O 3.46Å; F116-I131 HydrophobicContact CB-CD1 3.95Å; F116-I131 HydrophobicContact CG-CD1 4.4Å; F116-L196 HydrophobicContact CE2-CD2 4.17Å; F116-V198 HydrophobicContact CE1-CB 4.33Å; F116-V198 HydrophobicContact CE1-CG1 4.3Å; F116-V198 HydrophobicContact CE1-CG2 4.19Å; F116-V198 HydrophobicContact CE2-CG2 3.9Å; F116-V198 HydrophobicContact CZ-CB 4.27Å; F116-V198 HydrophobicContact CZ-CG2 3.68Å; F116-V215 HydrophobicContact CZ-CG1 4.48Å; F116-L217 HydrophobicContact CE2-CD1 3.87Å; F116-L217 HydrophobicContact CZ-CD1 3.66Å; F116-A232 WeakPolarHBondContact O-CA 3.45Å; F116-R233 PolarHBondContact N-O 3.39Å; F116-R233 VanDerWaalsContact N-O 3.12Å; F116-R233 PolarHBondContact O-N 3.32Å; F116-Y235 AromaticContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CE2 4.22Å; F116-Y235 AromaticContact CE1-CD2 3.29Å; F116-Y235 HydrophobicContact CE1-CD2 3.29Å; F116-Y235 AromaticContact CE1-CE2 3.82Å; F116-Y235 HydrophobicContact CE1-CE2 3.82Å; F116-Y235 AromaticContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE2-CD2 4.5Å; F116-Y235 HydrophobicContact CE2-CE2 4.21Å; F116-Y235 AromaticContact CZ-CD2 3.71Å; F116-Y235 HydrophobicContact CZ-CD2 3.71Å; F116-Y235 AromaticContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CG 4.31Å
117A94.8Very high91.1Very high3 Ų349.9 Ų49.93%0.02528%0.275CS..EExtended strand (participates in β ladder)trans-113.1154.8171.100000110.8H119 I129 C130 A232A117-H119 WeakPolarHBondContact CB-NE2 3.44Å; A117-I129 CarbonylContact O-C 3.51Å; A117-I129 WeakPolarHBondContact O-CA 3.49Å; A117-C130 HydrophobicContact CB-CB 4.24Å; A117-C130 PolarHBondContact N-O 3.09Å; A117-C130 PolarHBondContact O-N 2.97Å; A117-A232 HydrophobicContact CB-CB 4.23Å
118I94.8Very high92.5Very high0 Ų046.7 Ų46.70%026%0.257CS..EExtended strand (participates in β ladder)trans-125.8122.5172.3-43.9176.4000109.2F116 L127 E128 L196 L217 L219 W222 F224F116-I118 HydrophobicContact CD2-CG1 4.04Å; F116-I118 HydrophobicContact CE2-CD1 4.03Å; F116-I118 HydrophobicContact CE2-CG1 3.91Å; I118-L127 HydrophobicContact CG2-CD1 3.61Å; I118-L127 HydrophobicContact CG2-CG 4.27Å; I118-E128 WeakPolarHBondContact CA-O 3.38Å; I118-L196 HydrophobicContact CD1-CD2 3.64Å; I118-L196 HydrophobicContact CG1-CD2 4.13Å; I118-L217 HydrophobicContact CD1-CD1 3.92Å; I118-L219 HydrophobicContact CD1-CD2 4.28Å; I118-W222 HydrophobicContact CB-CH2 4.35Å; I118-W222 HydrophobicContact CB-CZ2 3.65Å; I118-W222 HydrophobicContact CD1-CD2 4.01Å; I118-W222 HydrophobicContact CD1-CE3 3.92Å; I118-W222 HydrophobicContact CD1-CH2 3.73Å; I118-W222 HydrophobicContact CD1-CZ2 3.83Å; I118-W222 HydrophobicContact CD1-CZ3 3.78Å; I118-W222 HydrophobicContact CG1-CH2 3.96Å; I118-W222 HydrophobicContact CG1-CZ2 3.77Å; I118-W222 PolarHBondContact O-NE1 3.22Å; I118-F224 HydrophobicContact CG2-CE1 4.11Å
119H91.8Very high93.5Very high60 Ų6045.9 Ų45.928%0.27825%0.25SS..EExtended strand (participates in β ladder)trans-120.7157.3175.7-48.9-93000110A117 E128 Q230A117-H119 WeakPolarHBondContact CB-NE2 3.44Å; H119-E128 HydrophobicContact CB-CB 4.48Å; H119-E128 PolarHBondContact N-O 2.85Å; H119-E128 PolarHBondContact O-N 3.38Å; H119-Q230 PolarHBondContact CE1-O 2.79Å; H119-Q230 PolarHBondContact ND1-OE1 3.02Å
120Y92.2Very high94Very high22 Ų2239.4 Ų39.49%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-126.5112.3168.1-173.5-94000111V122 C125 L127 V186 P188 L191 F224Y120-V122 HydrophobicContact CD1-CG2 3.87Å; Y120-V122 HydrophobicContact CE1-CB 4.47Å; Y120-V122 HydrophobicContact CE1-CG2 4.04Å; Y120-V122 PolarHBondContact O-N 2.69Å; Y120-C125 VanDerWaalsContact OH-C 3.29Å; Y120-C125 VanDerWaalsContact OH-CA 3.24Å; Y120-C125 WeakPolarHBondContact OH-CA 3.21Å; Y120-L127 HydrophobicContact CD2-CB 4.05Å; Y120-L127 HydrophobicContact CD2-CD1 4.26Å; Y120-V186 HydrophobicContact CE2-CG1 4.11Å; Y120-V186 VanDerWaalsContact CE2-O 3.29Å; Y120-V186 WeakPolarHBondContact CE2-O 3.48Å; Y120-V186 PolarHBondContact OH-O 3.42Å; Y120-P188 HydrophobicContact CE1-CB 4.33Å; Y120-P188 HydrophobicContact CE1-CG 3.83Å; Y120-P188 VanDerWaalsContact OH-CD 3.25Å; Y120-P188 WeakPolarHBondContact OH-CD 3.45Å; Y120-P188 WeakPolarHBondContact OH-CG 3.17Å; Y120-L191 HydrophobicContact CD1-CD1 4.44Å; Y120-L191 HydrophobicContact CD2-CD1 3.69Å; Y120-L191 HydrophobicContact CD2-CD2 4.17Å; Y120-L191 HydrophobicContact CD2-CG 4.47Å; Y120-L191 HydrophobicContact CE2-CD1 3.92Å; Y120-L191 HydrophobicContact CE2-CD2 4.26Å; Y120-L191 HydrophobicContact CE2-CG 4.44Å; Y120-L191 HydrophobicContact CG-CD1 3.97Å; Y120-F224 VanDerWaalsContact CB-CD1 3.47Å
121C90.6Very high94.3Very high44 Ų4437.8 Ų37.830%0.29721%0.207SC..EExtended strand (participates in β ladder)trans-85.398.6176.9-174.70000110K123 S124 C125 S126C121-K123 PolarHBondContact O-N 2.92Å; C121-S124 WeakPolarHBondContact CB-OG 3.46Å; C121-S124 CarbonylContact O-C 3.6Å; C121-S124 PolarHBondContact O-N 2.89Å; C121-S124 PolarHBondContact SG-OG 2.8Å; C121-C125 PolarHBondContact O-N 2.79Å; C121-S126 PolarHBondContact N-O 3.29Å; C121-S126 PolarHBondContact O-N 3.36Å; C121-S126 VanDerWaalsContact O-N 3.12Å
122V88.5Confident94.5Very high107 Ų10737.9 Ų37.965%0.64820%0.202SC*.G310 helixtrans-57.7-35.8177.6-177.10000111.9Y120 S124 C125Y120-V122 HydrophobicContact CD1-CG2 3.87Å; Y120-V122 HydrophobicContact CE1-CB 4.47Å; Y120-V122 HydrophobicContact CE1-CG2 4.04Å; Y120-V122 PolarHBondContact O-N 2.69Å; V122-S124 PolarHBondContact O-N 2.81Å; V122-C125 PolarHBondContact O-N 2.88Å
123K89.7Confident94.6Very high210 Ų21038.1 Ų38.191%0.91320%0.2SC*.G310 helixtrans-64.5-23.7-179.5-68.7-176.5177.5-179.10114.1C121C121-K123 PolarHBondContact O-N 2.92Å
124S89.7Confident94.6Very high51 Ų5135.3 Ų35.336%0.35719%0.187SC..G310 helixtrans-124.917.1-178.554.30000113C121 V122 S126 Q185C121-S124 WeakPolarHBondContact CB-OG 3.46Å; C121-S124 CarbonylContact O-C 3.6Å; C121-S124 PolarHBondContact O-N 2.89Å; C121-S124 PolarHBondContact SG-OG 2.8Å; V122-S124 PolarHBondContact O-N 2.81Å; S124-S126 WeakPolarHBondContact O-CB 3.32Å; S124-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-OG 2.82Å; S124-Q185 PolarHBondContact O-NE2 2.91Å; S124-Q185 VanDerWaalsContact O-NE2 3.1Å; S124-Q185 PolarHBondContact O-OE1 3.07Å; S124-Q185 VanDerWaalsContact O-OE1 3.11Å
125C91.1Very high94.5Very high56 Ų5638.2 Ų38.238%0.37820%0.199SC..THydrogen-bonded Turntrans40.843.1-175.6-63.20000114Y120 C121 V122 Q185 V186Y120-C125 VanDerWaalsContact OH-C 3.29Å; Y120-C125 VanDerWaalsContact OH-CA 3.24Å; Y120-C125 WeakPolarHBondContact OH-CA 3.21Å; C121-C125 PolarHBondContact O-N 2.79Å; V122-C125 PolarHBondContact O-N 2.88Å; C125-Q185 PolarHBondContact O-OE1 2.9Å; C125-V186 CarbonylContact O-C 3.6Å; C125-V186 PolarHBondContact O-N 3.31Å
126S92.7Very high94.5Very high3 Ų341 Ų412%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-127.1126.5-167.359.60000114.8C121 S124 E128 Y184C121-S126 PolarHBondContact N-O 3.29Å; C121-S126 PolarHBondContact O-N 3.36Å; C121-S126 VanDerWaalsContact O-N 3.12Å; S124-S126 WeakPolarHBondContact O-CB 3.32Å; S124-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-OG 2.82Å; S126-E128 PolarHBondContact OG-OE1 3.01Å; S126-Y184 CarbonylContact C-O 3.55Å; S126-Y184 WeakPolarHBondContact CA-O 3.38Å; S126-Y184 WeakPolarHBondContact CB-O 3.47Å
127L94.2Very high94.5Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-80.9126.8168.3-175.476.5000109I118 Y120 I129 L155 K183 Y184 V186 L191 L219 F224I118-L127 HydrophobicContact CG2-CD1 3.61Å; I118-L127 HydrophobicContact CG2-CG 4.27Å; Y120-L127 HydrophobicContact CD2-CB 4.05Å; Y120-L127 HydrophobicContact CD2-CD1 4.26Å; L127-I129 HydrophobicContact CD2-CD1 4.08Å; L127-I129 HydrophobicContact CG-CD1 4.01Å; L127-L155 HydrophobicContact CD2-CD1 3.97Å; L127-K183 WeakPolarHBondContact O-CA 3.48Å; L127-Y184 PolarHBondContact N-O 3.04Å; L127-Y184 PolarHBondContact O-N 3.47Å; L127-V186 HydrophobicContact CB-CG1 3.68Å; L127-L191 HydrophobicContact CB-CD2 4.45Å; L127-L191 HydrophobicContact CD1-CD2 4.08Å; L127-L191 HydrophobicContact CD2-CD2 4.42Å; L127-L219 HydrophobicContact CD1-CD1 4.48Å; L127-L219 HydrophobicContact CD2-CD1 3.6Å; L127-F224 HydrophobicContact CD1-CE1 3.51Å; L127-F224 HydrophobicContact CD1-CZ 3.89Å
128E95Very high94.6Very high31 Ų3141.6 Ų41.615%0.14522%0.22CC..EExtended strand (participates in β ladder)trans-122.2122-174.9-51.1-158.3178.400110.5I118 H119 S126 T181 K183I118-E128 WeakPolarHBondContact CA-O 3.38Å; H119-E128 HydrophobicContact CB-CB 4.48Å; H119-E128 PolarHBondContact N-O 2.85Å; H119-E128 PolarHBondContact O-N 3.38Å; S126-E128 PolarHBondContact OG-OE1 3.01Å; E128-T181 HydrophobicContact CB-CG2 3.92Å; E128-K183 HydrophobicContact CB-CG 4.45Å; E128-K183 HydrophobicContact CG-CD 4.05Å; E128-K183 HydrophobicContact CG-CG 4.03Å; E128-K183 WeakPolarHBondContact OE1-CD 3.25Å; E128-K183 WeakPolarHBondContact OE1-CE 3.5Å; E128-K183 IonicContact OE1-NZ 2.7Å; E128-K183 PolarHBondContact OE1-NZ 3.47Å; E128-K183 WeakPolarHBondContact OE2-CE 3.48Å; E128-K183 IonicContact OE2-NZ 3.13Å; E128-K183 PolarHBondContact OE2-NZ 2.68Å
129I96.4Very high94.6Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-110.6104.8-178.5-55.778.8000107.4F116 A117 L127 I131 T181 L182 Y184 L196F116-I129 HydrophobicContact CD2-CG2 3.86Å; F116-I129 HydrophobicContact CE2-CG2 4.48Å; A117-I129 CarbonylContact O-C 3.51Å; A117-I129 WeakPolarHBondContact O-CA 3.49Å; L127-I129 HydrophobicContact CD2-CD1 4.08Å; L127-I129 HydrophobicContact CG-CD1 4.01Å; I129-I131 HydrophobicContact CG2-CD1 3.7Å; I129-I131 PolarHBondContact O-N 3.22Å; I129-T181 WeakPolarHBondContact O-CA 3.29Å; I129-L182 WeakPolarHBondContact CD1-O 3.42Å; I129-L182 PolarHBondContact N-O 3.34Å; I129-L182 PolarHBondContact O-N 2.91Å; I129-Y184 HydrophobicContact CD1-CD2 3.58Å; I129-Y184 HydrophobicContact CD1-CE2 3.73Å; I129-L196 HydrophobicContact CD1-CD1 4.17Å; I129-L196 HydrophobicContact CG1-CD1 3.93Å; I129-L196 HydrophobicContact CG1-CD2 3.66Å; I129-L196 HydrophobicContact CG1-CG 4.47Å; I129-L196 HydrophobicContact CG2-CD2 4.27Å
130C96.8Very high94.6Very high14 Ų1441.6 Ų41.610%0.09522%0.22CC..EExtended strand (participates in β ladder)trans-87.299.3179.5-166.80000109.3F116 A117 K132 T181F116-C130 CarbonylContact C-O 3.46Å; F116-C130 WeakPolarHBondContact CA-O 3.4Å; F116-C130 VanDerWaalsContact CB-O 3.27Å; F116-C130 WeakPolarHBondContact CB-O 3.46Å; A117-C130 HydrophobicContact CB-CB 4.24Å; A117-C130 PolarHBondContact N-O 3.09Å; A117-C130 PolarHBondContact O-N 2.97Å; C130-K132 PolarHBondContact O-N 2.97Å; C130-T181 PolarHBondContact SG-OG1 3.15Å
131I98.3Very high94.6Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-77.4114.8176.8-54.4-59.2000108.3I114 F116 I129 V151 T167 F178 E179 E180 L182 V198I114-I131 HydrophobicContact CD1-CG2 4.38Å; F116-I131 HydrophobicContact CB-CD1 3.95Å; F116-I131 HydrophobicContact CG-CD1 4.4Å; I129-I131 HydrophobicContact CG2-CD1 3.7Å; I129-I131 PolarHBondContact O-N 3.22Å; I131-V151 HydrophobicContact CD1-CG1 4.07Å; I131-V151 HydrophobicContact CG1-CG1 4.42Å; I131-V151 HydrophobicContact CG2-CB 4.38Å; I131-V151 HydrophobicContact CG2-CG2 3.84Å; I131-T167 HydrophobicContact CB-CG2 4.19Å; I131-T167 HydrophobicContact CG1-CG2 4.14Å; I131-T167 HydrophobicContact CG2-CG2 4.2Å; I131-F178 HydrophobicContact CG2-CB 3.97Å; I131-F178 HydrophobicContact CG2-CD2 3.74Å; I131-F178 HydrophobicContact CG2-CG 4.07Å; I131-E179 CarbonylContact O-C 3.57Å; I131-E179 VanDerWaalsContact O-CA 3.28Å; I131-E179 WeakPolarHBondContact O-CA 3.38Å; I131-E179 PolarHBondContact O-N 3.24Å; I131-E180 PolarHBondContact N-O 3.29Å; I131-E180 PolarHBondContact O-N 3.4Å; I131-E180 VanDerWaalsContact O-N 3.12Å; I131-L182 HydrophobicContact CG1-CD1 4.04Å; I131-L182 HydrophobicContact CG1-CG 4.31Å; I131-V198 HydrophobicContact CD1-CG1 4.11Å
132K98.1Very high94.5Very high68 Ų6845.2 Ų45.230%0.29623%0.233SC..EExtended strand (participates in β ladder)trans-88-73.4-178.3-66-58.8-167.11770111.1E115 C130 F178 E179 A232E115-K132 HydrophobicContact CB-CB 4.13Å; E115-K132 HydrophobicContact CG-CB 4.1Å; E115-K132 HydrophobicContact CG-CG 4.43Å; E115-K132 WeakPolarHBondContact O-CB 3.37Å; E115-K132 PolarHBondContact O-N 2.85Å; E115-K132 WeakPolarHBondContact OE2-CB 3.11Å; C130-K132 PolarHBondContact O-N 2.97Å; K132-F178 PolarHBondContact O-N 2.79Å; K132-E179 PolarHBondContact O-N 3.17Å; K132-A232 HydrophobicContact CG-CB 4.02Å
133T98.4Very high94.6Very high25 Ų2550.5 Ų50.515%0.15325%0.248CC..EExtended strand (participates in β ladder)trans-153.9163.5-174.8-170.60000111E115 P176 W234E115-T133 HydrophobicContact CB-CG2 4.1Å; E115-T133 PolarHBondContact N-O 3.17Å; E115-T133 PolarHBondContact O-N 2.87Å; T133-P176 CarbonylContact C-O 3.51Å; T133-P176 WeakPolarHBondContact CA-O 3.42Å; T133-P176 PolarHBondContact OG1-O 3.14Å; T133-P176 VanDerWaalsContact OG1-O 3.07Å; T133-W234 HydrophobicContact CG2-CH2 3.58Å; T133-W234 HydrophobicContact CG2-CZ2 3.8Å
134C98.6Very high94.7Very high1 Ų145.7 Ų45.71%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-113.5168.2158.8-530000110.2E113 L137 D175 P176E113-C134 CarbonylContact O-C 3.18Å; E113-C134 VanDerWaalsContact O-CA 3.23Å; E113-C134 WeakPolarHBondContact O-CA 3.32Å; E113-C134 WeakPolarHBondContact O-CB 3.47Å; C134-L137 HydrophobicContact CB-CD1 3.85Å; C134-L137 HydrophobicContact CB-CD2 3.87Å; C134-L137 HydrophobicContact CB-CG 3.86Å; C134-D175 CarbonylContact O-C 3.58Å; C134-D175 WeakPolarHBondContact O-CA 3.37Å; C134-P176 HydrophobicContact CB-CG 3.79Å; C134-P176 PolarHBondContact N-O 3.23Å
135K98Very high94.9Very high60 Ų6051.2 Ų51.226%0.26124%0.24SC..EExtended strand (participates in β ladder)trans-142.5155.1169.271.1-168.8168.9-177.70111.7G112 E113 L137 D175 W234G112-K135 WeakPolarHBondContact CA-O 3.34Å; E113-K135 HydrophobicContact CB-CG 4.4Å; E113-K135 PolarHBondContact N-O 2.93Å; E113-K135 PolarHBondContact O-N 2.82Å; E113-K135 WeakPolarHBondContact OE2-CE 3.44Å; E113-K135 IonicContact OE2-NZ 2.75Å; E113-K135 PolarHBondContact OE2-NZ 2.9Å; K135-L137 PolarHBondContact O-N 3.49Å; K135-D175 WeakPolarHBondContact CA-OD1 3.43Å; K135-D175 WeakPolarHBondContact CB-OD1 3.3Å; K135-W234 HydrophobicContact CB-CH2 4.01Å; K135-W234 HydrophobicContact CB-CZ3 4.11Å; K135-W234 HydrophobicContact CD-CE3 4.08Å; K135-W234 HydrophobicContact CD-CH2 3.53Å; K135-W234 HydrophobicContact CD-CZ2 4.11Å; K135-W234 HydrophobicContact CD-CZ3 3.54Å; K135-W234 HydrophobicContact CG-CE3 4.34Å; K135-W234 HydrophobicContact CG-CH2 3.78Å; K135-W234 HydrophobicContact CG-CZ3 3.53Å
136N97.4Very high95.1Very high106 Ų10653.1 Ų53.157%0.56724%0.241SC*.SBendtrans54.632.6175.6-62.4-41.1000114.7T111 G112 D175T111-N136 CarbonylContact C-O 3.53Å; T111-N136 WeakPolarHBondContact CB-O 3.25Å; T111-N136 PolarHBondContact OG1-O 2.78Å; G112-N136 VanDerWaalsContact CA-O 3.25Å; G112-N136 WeakPolarHBondContact CA-O 3.34Å; G112-N136 PolarHBondContact N-O 2.87Å; N136-D175 PolarHBondContact N-OD1 2.65Å
137L97.8Very high95.3Very high4 Ų453 Ų532%0.02124%0.241CC..PPolyproline II helixtrans-63.8154.8177.7-64.8-179.9000112.3C134 K135 P149 L174 P176 V200 L237C134-L137 HydrophobicContact CB-CD1 3.85Å; C134-L137 HydrophobicContact CB-CD2 3.87Å; C134-L137 HydrophobicContact CB-CG 3.86Å; K135-L137 PolarHBondContact O-N 3.49Å; L137-P149 HydrophobicContact CD1-CB 3.63Å; L137-P149 HydrophobicContact CD1-CG 4.06Å; L137-L174 HydrophobicContact CB-CB 4.44Å; L137-L174 VanDerWaalsContact CB-O 3.29Å; L137-L174 WeakPolarHBondContact CB-O 3.31Å; L137-L174 VanDerWaalsContact CG-O 3.23Å; L137-L174 WeakPolarHBondContact CG-O 3.35Å; L137-L174 PolarHBondContact N-O 2.68Å; L137-L174 VanDerWaalsContact N-O 3.11Å; L137-L174 WeakPolarHBondContact O-CD2 3.19Å; L137-P176 HydrophobicContact CD1-CG 3.74Å; L137-V200 HydrophobicContact CD1-CG1 3.95Å; L137-V200 HydrophobicContact CD2-CG1 4.07Å; L137-L237 HydrophobicContact CD2-CD1 3.3Å
138A95.7Very high95.4Very high12 Ų1254.7 Ų54.710%0.09925%0.249CC..PPolyproline II helixtrans-73.9157.4171.600000112.6A108 N109 T111 G140 C147 L212A108-A138 HydrophobicContact CB-CB 3.98Å; N109-A138 WeakPolarHBondContact O-CB 3.35Å; T111-A138 PolarHBondContact OG1-N 2.93Å; T111-A138 VanDerWaalsContact OG1-N 3.12Å; A138-G140 PolarHBondContact O-N 2.9Å; A138-C147 PolarHBondContact O-SG 3.43Å; A138-L212 HydrophobicContact CB-CD2 4.45Å
139Y95.2Very high95.6Very high53 Ų5353.2 Ų53.221%0.20824%0.243CC..PPolyproline II helixtrans-73.1126.2169.3-60-75000110.5E141 R145 L174Y139-E141 VanDerWaalsContact C-N 3.31Å; Y139-R145 HydrophobicContact CD1-CB 4.05Å; Y139-R145 WeakPolarHBondContact CD1-O 3.32Å; Y139-R145 HydrophobicContact CE1-CB 3.72Å; Y139-R145 HydrophobicContact CE1-CG 4.43Å; Y139-R145 VanDerWaalsContact CE1-O 3.23Å; Y139-R145 WeakPolarHBondContact CE1-O 3.44Å; Y139-R145 HydrophobicContact CE2-CB 4.43Å; Y139-R145 HydrophobicContact CE2-CG 4.25Å; Y139-R145 PolarHBondContact OH-NE 2.77Å; Y139-R145 PolarHBondContact OH-NH2 3.01Å; Y139-L174 HydrophobicContact CD1-CD2 3.76Å; Y139-L174 HydrophobicContact CE1-CD1 3.97Å; Y139-L174 HydrophobicContact CE1-CD2 3.81Å; Y139-L174 HydrophobicContact CE1-CG 4.22Å; Y139-L174 HydrophobicContact CE2-CD1 4.4Å; Y139-L174 HydrophobicContact CG-CD2 4.41Å
140G92.2Very high95.7Very high6 Ų653.8 Ų53.86%0.06225%0.245CC..THydrogen-bonded Turntrans-77.9-15.717100000114.1A138 K146 V210A138-G140 PolarHBondContact O-N 2.9Å; G140-K146 PolarHBondContact N-O 3.26Å; G140-V210 WeakPolarHBondContact O-CG2 3.43Å
141E91.6Very high95.8Very high19 Ų1953.1 Ų53.19%0.08924%0.241CC..BIsolated β-bridgetrans-130.976.5168.7-75.9-177-137.900110Y139 K143 K144 R145 K146 H202 G204 T205Y139-E141 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.89Å; E141-K144 HydrophobicContact CB-CB 4.43Å; E141-K144 CarbonylContact O-C 3.52Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE2-CD 3.39Å; E141-K144 WeakPolarHBondContact OE2-CE 3.47Å; E141-K144 IonicContact OE2-NZ 3.74Å; E141-K144 PolarHBondContact OE2-NZ 2.88Å; E141-R145 PolarHBondContact O-N 2.97Å; E141-K146 HydrophobicContact CB-CB 4.41Å; E141-K146 PolarHBondContact N-O 3.41Å; E141-K146 PolarHBondContact O-N 3.25Å; E141-H202 IonicContact OE1-NE2 3.21Å; E141-H202 PolarHBondContact OE1-NE2 2.85Å; E141-G204 WeakPolarHBondContact OE1-CA 3.45Å; E141-T205 PolarHBondContact OE1-N 2.91Å
142E89.1Confident95.7Very high124 Ų12453.9 Ų53.958%0.57924%0.244SC*.G310 helixtrans-45.4-52.7-177.4-168.659.6-144.800113.2K144 R145E142-K144 PolarHBondContact O-N 3.16Å; E142-R145 PolarHBondContact O-N 2.83Å
143K90.9Very high95.7Very high218 Ų21850.6 Ų50.695%0.94823%0.23SC*.G310 helixtrans-58.3-19179.4-65.9-171.5178.3-176.10114.8E141E141-K143 PolarHBondContact O-N 2.89Å
144K92.3Very high95.6Very high108 Ų10850.9 Ų50.947%0.4723%0.228SC..G310 helixtrans-111.4-2.6176.9-55.4-174.1-161.4153.10112.4E141 E142 K146E141-K144 HydrophobicContact CB-CB 4.43Å; E141-K144 CarbonylContact O-C 3.52Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE2-CD 3.39Å; E141-K144 WeakPolarHBondContact OE2-CE 3.47Å; E141-K144 IonicContact OE2-NZ 3.74Å; E141-K144 PolarHBondContact OE2-NZ 2.88Å; E142-K144 PolarHBondContact O-N 3.16Å; K144-K146 HydrophobicContact CB-CB 4.5Å; K144-K146 HydrophobicContact CB-CD 4.36Å; K144-K146 HydrophobicContact CB-CG 3.93Å; K144-K146 WeakPolarHBondContact O-CG 3.44Å; K144-K146 PolarHBondContact O-N 2.91Å
145R93.8Very high95.4Very high168 Ų16851.5 Ų51.563%0.63423%0.231SC*.THydrogen-bonded Turntrans45.646.6-168.5-66.6-17662.4166.4-3.5112.8Y139 E141 E142Y139-R145 HydrophobicContact CD1-CB 4.05Å; Y139-R145 WeakPolarHBondContact CD1-O 3.32Å; Y139-R145 HydrophobicContact CE1-CB 3.72Å; Y139-R145 HydrophobicContact CE1-CG 4.43Å; Y139-R145 VanDerWaalsContact CE1-O 3.23Å; Y139-R145 WeakPolarHBondContact CE1-O 3.44Å; Y139-R145 HydrophobicContact CE2-CB 4.43Å; Y139-R145 HydrophobicContact CE2-CG 4.25Å; Y139-R145 PolarHBondContact OH-NE 2.77Å; Y139-R145 PolarHBondContact OH-NH2 3.01Å; E141-R145 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 2.83Å
146K94.6Very high95Very high95 Ų9549 Ų4941%0.41322%0.22SC..BIsolated β-bridgetrans-111.2137.9178.9-62.4-162.7175.2-172.80112.4G140 E141 K144 H202G140-K146 PolarHBondContact N-O 3.26Å; E141-K146 HydrophobicContact CB-CB 4.41Å; E141-K146 PolarHBondContact N-O 3.41Å; E141-K146 PolarHBondContact O-N 3.25Å; K144-K146 HydrophobicContact CB-CB 4.5Å; K144-K146 HydrophobicContact CB-CD 4.36Å; K144-K146 HydrophobicContact CB-CG 3.93Å; K144-K146 WeakPolarHBondContact O-CG 3.44Å; K144-K146 PolarHBondContact O-N 2.91Å; K146-H202 PolarHBondContact O-CE1 3.29Å
147C96.5Very high94.6Very high1 Ų145.2 Ų45.21%0.00720%0.202CC..  trans-134.4125.2165-156.60000111A138 P149 N172 T173 L174 H202 L212A138-C147 PolarHBondContact O-SG 3.43Å; C147-P149 VanDerWaalsContact C-CD 3.44Å; C147-P149 WeakPolarHBondContact O-CD 3.15Å; C147-N172 CarbonylContact O-C 3.46Å; C147-N172 WeakPolarHBondContact O-CA 3.43Å; C147-N172 PolarHBondContact O-N 3.22Å; C147-T173 WeakPolarHBondContact CB-O 3.44Å; C147-T173 PolarHBondContact O-N 3.21Å; C147-L174 HydrophobicContact CB-CD2 3.57Å; C147-H202 WeakPolarHBondContact CA-ND1 3.33Å; C147-L212 WeakPolarHBondContact SG-CD1 3.34Å
148N97.5Very high94Very high35 Ų3546 Ų4619%0.18721%0.206CC..  trans-116.278.6171.2-54.3-49.6000108.1V169 Q170 N172 H202 L203N148-V169 HydrophobicContact CB-CG1 3.89Å; N148-Q170 CarbonylContact C-O 3.58Å; N148-Q170 WeakPolarHBondContact CA-O 3.43Å; N148-Q170 WeakPolarHBondContact CB-O 3.47Å; N148-N172 PolarHBondContact OD1-N 3.21Å; N148-H202 PolarHBondContact N-CE1 2.96Å; N148-H202 PolarHBondContact N-ND1 3.21Å; N148-L203 WeakPolarHBondContact CB-O 3.33Å; N148-L203 PolarHBondContact ND2-O 3.32Å; N148-L203 PolarHBondContact O-N 2.99Å
149P98.2Very high93.5Very high0 Ų049.2 Ų49.20%022%0.216CC..EExtended strand (participates in β ladder)trans-75.9146.9-169.230.6-37.2000113.1L137 C147 Q170 T173 P176 F178 V200 W201 L212L137-P149 HydrophobicContact CD1-CB 3.63Å; L137-P149 HydrophobicContact CD1-CG 4.06Å; C147-P149 VanDerWaalsContact C-CD 3.44Å; C147-P149 WeakPolarHBondContact O-CD 3.15Å; P149-Q170 WeakPolarHBondContact CD-O 3.26Å; P149-Q170 HydrophobicContact CG-CB 4.37Å; P149-Q170 PolarHBondContact O-N 2.98Å; P149-T173 WeakPolarHBondContact CD-O 3.41Å; P149-T173 HydrophobicContact CG-CG2 4.16Å; P149-P176 HydrophobicContact CB-CB 4.44Å; P149-P176 HydrophobicContact CB-CG 3.97Å; P149-P176 HydrophobicContact CG-CB 3.55Å; P149-P176 HydrophobicContact CG-CG 3.46Å; P149-P176 VanDerWaalsContact CG-CG 3.46Å; P149-F178 HydrophobicContact CB-CZ 4.41Å; P149-V200 HydrophobicContact CB-CG1 4.41Å; P149-W201 CarbonylContact C-O 3.41Å; P149-W201 VanDerWaalsContact CA-O 3.3Å; P149-W201 WeakPolarHBondContact CA-O 3.01Å; P149-L212 HydrophobicContact CB-CD1 4.42Å
150Y98.4Very high92.8Very high13 Ų1348 Ų485%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-148.3151.1166.366.5-77.8000110.2K152 R168 V169 W201 L203 R209Y150-K152 HydrophobicContact CD2-CG 4.3Å; Y150-K152 HydrophobicContact CE2-CD 4.42Å; Y150-K152 HydrophobicContact CE2-CG 3.86Å; Y150-K152 PolarHBondContact OH-NZ 3.19Å; Y150-R168 VanDerWaalsContact CB-O 3.3Å; Y150-R168 WeakPolarHBondContact CB-O 3.32Å; Y150-V169 HydrophobicContact CD1-CG2 3.97Å; Y150-V169 HydrophobicContact CG-CG2 4.02Å; Y150-W201 HydrophobicContact CD1-CB 4.12Å; Y150-W201 WeakPolarHBondContact CD1-O 3.19Å; Y150-W201 HydrophobicContact CD2-CB 4.49Å; Y150-W201 HydrophobicContact CE1-CB 3.59Å; Y150-W201 WeakPolarHBondContact CE1-O 3.25Å; Y150-W201 HydrophobicContact CE2-CB 4.02Å; Y150-W201 HydrophobicContact CE2-CG 4.46Å; Y150-W201 PolarHBondContact N-O 3.43Å; Y150-W201 PolarHBondContact O-N 2.88Å; Y150-L203 HydrophobicContact CD1-CB 4.18Å; Y150-L203 HydrophobicContact CE1-CB 3.9Å; Y150-R209 WeakPolarHBondContact OH-CD 3.43Å
151V98.5Very high92.3Very high0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-95.6140.9177.6-174.40000109.6I114 I131 T153 K166 T167 F178 V198 S199 V200I114-V151 HydrophobicContact CD1-CG1 4.13Å; I114-V151 HydrophobicContact CD1-CG2 3.77Å; I131-V151 HydrophobicContact CD1-CG1 4.07Å; I131-V151 HydrophobicContact CG1-CG1 4.42Å; I131-V151 HydrophobicContact CG2-CB 4.38Å; I131-V151 HydrophobicContact CG2-CG2 3.84Å; V151-T153 HydrophobicContact CG1-CG2 4.4Å; V151-K166 CarbonylContact O-C 3.52Å; V151-K166 WeakPolarHBondContact O-CA 3.45Å; V151-K166 WeakPolarHBondContact O-CB 3.28Å; V151-T167 HydrophobicContact CB-CG2 3.94Å; V151-T167 HydrophobicContact CG2-CG2 4.45Å; V151-T167 PolarHBondContact N-OG1 2.95Å; V151-T167 PolarHBondContact O-N 2.67Å; V151-F178 HydrophobicContact CG2-CD2 4.25Å; V151-F178 HydrophobicContact CG2-CE2 3.79Å; V151-F178 HydrophobicContact CG2-CZ 4.08Å; V151-V198 HydrophobicContact CG1-CG1 3.57Å; V151-S199 CarbonylContact C-O 3.57Å; V151-S199 WeakPolarHBondContact CA-O 3.33Å; V151-V200 HydrophobicContact CG2-CG2 4.4Å
152K97.7Very high91.8Very high15 Ų1554.1 Ų54.17%0.06525%0.25CC..EExtended strand (participates in β ladder)trans-113.4144.2161.1-60.8-175.6-169.973.40109Y150 K164 R165 S199 W201Y150-K152 HydrophobicContact CD2-CG 4.3Å; Y150-K152 HydrophobicContact CE2-CD 4.42Å; Y150-K152 HydrophobicContact CE2-CG 3.86Å; Y150-K152 PolarHBondContact OH-NZ 3.19Å; K152-K164 HydrophobicContact CD-CD 4.03Å; K152-K164 HydrophobicContact CG-CD 4.46Å; K152-R165 WeakPolarHBondContact CA-O 3.31Å; K152-S199 PolarHBondContact N-O 2.96Å; K152-S199 PolarHBondContact O-N 3.24Å; K152-S199 PolarHBondContact O-OG 3.28Å; K152-W201 HydrophobicContact CD-CZ2 4.5Å
153T97.7Very high91.6Very high0 Ų048.4 Ų48.40%022%0.224CC..EExtended strand (participates in β ladder)trans-121.3151.5166.160.70000111.7V151 K164 R165 L182 Y184 Q197 V198V151-T153 HydrophobicContact CG1-CG2 4.4Å; T153-K164 WeakPolarHBondContact O-CA 2.97Å; T153-R165 PolarHBondContact N-O 2.9Å; T153-R165 PolarHBondContact O-N 2.86Å; T153-R165 WeakPolarHBondContact OG1-CB 3.32Å; T153-L182 HydrophobicContact CG2-CD1 3.89Å; T153-Y184 WeakPolarHBondContact CB-OH 3.37Å; T153-Y184 PolarHBondContact O-OH 2.9Å; T153-Y184 PolarHBondContact OG1-OH 3.34Å; T153-Q197 CarbonylContact C-O 3.46Å; T153-Q197 WeakPolarHBondContact CA-O 3.45Å; T153-V198 HydrophobicContact CG2-CB 4.32Å; T153-V198 HydrophobicContact CG2-CG1 4.07Å; T153-V198 HydrophobicContact CG2-CG2 4.04Å
154Y95.7Very high91.7Very high30 Ų3041.1 Ų41.112%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-133.8147.2166.7-65.8-81.8000109.8D158 R159 K164 Y184 Q197Y154-D158 WeakPolarHBondContact CD1-O 3.44Å; Y154-R159 WeakPolarHBondContact CE1-O 3.19Å; Y154-K164 HydrophobicContact CD1-CB 4.05Å; Y154-K164 HydrophobicContact CE1-CB 3.51Å; Y154-K164 HydrophobicContact CE1-CD 4.38Å; Y154-K164 HydrophobicContact CE1-CG 4.03Å; Y154-Y184 WeakPolarHBondContact CA-OH 3.36Å; Y154-Y184 PolarHBondContact N-OH 2.83Å; Y154-Q197 PolarHBondContact N-O 3.02Å; Y154-Q197 PolarHBondContact O-N 3.38Å
155L94.1Very high91.9Very high15 Ų1538.1 Ų38.18%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-101.489.7170.2-173.765.6000107.6L127 D158 Y184 V186 R194 L219L127-L155 HydrophobicContact CD2-CD1 3.97Å; L155-D158 PolarHBondContact O-N 2.92Å; L155-Y184 HydrophobicContact CB-CD1 3.68Å; L155-Y184 HydrophobicContact CB-CE1 3.6Å; L155-Y184 HydrophobicContact CB-CG 4.44Å; L155-Y184 HydrophobicContact CD2-CD1 4.12Å; L155-Y184 HydrophobicContact CD2-CG 4.44Å; L155-V186 HydrophobicContact CD2-CB 4.1Å; L155-V186 HydrophobicContact CD2-CG1 4.22Å; L155-V186 HydrophobicContact CD2-CG2 4.04Å; L155-R194 HydrophobicContact CD1-CB 3.67Å; L155-R194 HydrophobicContact CD1-CG 4.25Å; L155-R194 HydrophobicContact CD2-CG 4.37Å; L155-R194 HydrophobicContact CG-CB 4.02Å; L155-R194 HydrophobicContact CG-CG 4.11Å; L155-L219 HydrophobicContact CD1-CD1 3.57Å
156L91Very high92.1Very high6 Ų636.4 Ų36.43%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-61.3137.4-174.5-62.4-178.6000110.5R159 R194 R195 Q197L156-R159 HydrophobicContact CD2-CG 3.39Å; L156-R194 WeakPolarHBondContact O-CA 3.4Å; L156-R194 WeakPolarHBondContact O-CD 3.22Å; L156-R195 HydrophobicContact CB-CB 4.22Å; L156-R195 WeakPolarHBondContact CB-O 3.29Å; L156-R195 HydrophobicContact CD1-CB 4.44Å; L156-R195 PolarHBondContact N-O 2.76Å; L156-R195 PolarHBondContact O-N 3.06Å; L156-Q197 HydrophobicContact CD1-CB 4.05Å; L156-Q197 HydrophobicContact CG-CB 4.1Å
157P87.8Confident92.3Very high27 Ų2732 Ų3218%0.17516%0.156CC..THydrogen-bonded Turncis-84.1-4.616.430.6-33.7000117.1R159 N252P157-R159 PolarHBondContact O-N 3.49Å; P157-N252 WeakPolarHBondContact CB-OD1 2.99Å; P157-N252 WeakPolarHBondContact CG-OD1 3.3Å
158D85.2Confident92.3Very high21 Ų2141.1 Ų41.111%0.11219%0.19CC..BIsolated β-bridgetrans-73.489.8-176-1737.2000113.6Y154 L155 S160 G163 P295 R367Y154-D158 WeakPolarHBondContact CD1-O 3.44Å; L155-D158 PolarHBondContact O-N 2.92Å; D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CA 3.5Å; D158-S160 WeakPolarHBondContact OD1-CB 3.37Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.92Å; D158-S160 PolarHBondContact OD2-OG 3.42Å; D158-G163 VanDerWaalsContact OD2-CA 3.26Å; D158-G163 WeakPolarHBondContact OD2-CA 3.41Å; D158-P295 HydrophobicContact CB-CB 4.13Å; D158-R367 VanDerWaalsContact CG-NH1 3.29Å; D158-R367 IonicContact OD1-NH1 2.9Å; D158-R367 PolarHBondContact OD1-NH1 3.07Å; D158-R367 IonicContact OD2-CZ 2.78Å; D158-R367 IonicContact OD2-NH1 2.76Å; D158-R367 PolarHBondContact OD2-NH1 2.85Å; D158-R367 IonicContact OD2-NH2 2.72Å
159R86Confident92.4Very high80 Ų8041.8 Ų41.830%0.30220%0.196SC..  trans-87.69.7169.9-61.4-163.8-173.4166.86.7114.2E101 Y154 L156 P157 E245E101-R159 IonicContact OE1-NH1 3.61Å; E101-R159 WeakPolarHBondContact OE2-CD 3.29Å; E101-R159 IonicContact OE2-CZ 2.76Å; E101-R159 IonicContact OE2-NE 2.65Å; E101-R159 IonicContact OE2-NH1 3.8Å; E101-R159 PolarHBondContact OE2-NH1 2.72Å; Y154-R159 WeakPolarHBondContact CE1-O 3.19Å; L156-R159 HydrophobicContact CD2-CG 3.39Å; P157-R159 PolarHBondContact O-N 3.49Å; R159-E245 IonicContact NH2-OE2 3.26Å; R159-E245 PolarHBondContact NH2-OE2 2.92Å
160S80.7Confident92.4Very high27 Ų2745.3 Ų45.319%0.18921%0.212CC..SBendtrans-67.7167.1-176.9740000113.2D158 Q162 G163 K164 R367D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CA 3.5Å; D158-S160 WeakPolarHBondContact OD1-CB 3.37Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.92Å; D158-S160 PolarHBondContact OD2-OG 3.42Å; S160-Q162 PolarHBondContact O-N 2.88Å; S160-G163 PolarHBondContact O-N 3.19Å; S160-G163 PolarHBondContact OG-N 3.25Å; S160-K164 PolarHBondContact O-N 2.81Å; S160-R367 PolarHBondContact OG-NH1 2.88Å
161S81.6Confident92.3Very high70 Ų7053 Ų5349%0.4925%0.246SC..THydrogen-bonded Turntrans-56.9-32.9176.152.70000113.2K164S161-K164 PolarHBondContact O-NZ 2.97Å; S161-K164 VanDerWaalsContact O-NZ 3.15Å
162Q80.3Confident92.2Very high84 Ų8457.7 Ų57.739%0.39327%0.271SS..THydrogen-bonded Turntrans-84.8-32.2-179-53.1-62.1-6.200113.5S160 K164 R165S160-Q162 PolarHBondContact O-N 2.88Å; Q162-K164 VanDerWaalsContact C-N 3.33Å; Q162-R165 PolarHBondContact O-NH1 3.44Å
163G84.8Confident92.2Very high4 Ų459 Ų594%0.04128%0.281CS..THydrogen-bonded Turntrans-65.3-35.8174.200000112.5D158 S160 R165 Y184D158-G163 VanDerWaalsContact OD2-CA 3.26Å; D158-G163 WeakPolarHBondContact OD2-CA 3.41Å; S160-G163 PolarHBondContact O-N 3.19Å; S160-G163 PolarHBondContact OG-N 3.25Å; G163-R165 PolarHBondContact O-NH1 2.96Å; G163-R165 VanDerWaalsContact O-NH1 3.15Å; G163-Y184 WeakPolarHBondContact O-CE1 3.5Å
164K93.5Very high92.2Very high65 Ų6560.9 Ų60.928%0.28329%0.29SS..  trans-53.8140.7179.8-175.2170.153.6-78.40114.2K152 T153 Y154 S160 S161 Q162K152-K164 HydrophobicContact CD-CD 4.03Å; K152-K164 HydrophobicContact CG-CD 4.46Å; T153-K164 WeakPolarHBondContact O-CA 2.97Å; Y154-K164 HydrophobicContact CD1-CB 4.05Å; Y154-K164 HydrophobicContact CE1-CB 3.51Å; Y154-K164 HydrophobicContact CE1-CD 4.38Å; Y154-K164 HydrophobicContact CE1-CG 4.03Å; S160-K164 PolarHBondContact O-N 2.81Å; S161-K164 PolarHBondContact O-NZ 2.97Å; S161-K164 VanDerWaalsContact O-NZ 3.15Å; Q162-K164 VanDerWaalsContact C-N 3.33Å
165R96.4Very high92.4Very high44 Ų4463.3 Ų63.317%0.16631%0.305CS..EExtended strand (participates in β ladder)trans-117.7163.4152.1-54.4-66.4174.4-83.4-17.5110.2K152 T153 Q162 G163 L182 K183 Y184 S298K152-R165 WeakPolarHBondContact CA-O 3.31Å; T153-R165 PolarHBondContact N-O 2.9Å; T153-R165 PolarHBondContact O-N 2.86Å; T153-R165 WeakPolarHBondContact OG1-CB 3.32Å; Q162-R165 PolarHBondContact O-NH1 3.44Å; G163-R165 PolarHBondContact O-NH1 2.96Å; G163-R165 VanDerWaalsContact O-NH1 3.15Å; R165-L182 HydrophobicContact CB-CB 3.89Å; R165-L182 HydrophobicContact CB-CD1 4.01Å; R165-L182 HydrophobicContact CB-CD2 4.26Å; R165-L182 HydrophobicContact CB-CG 4.27Å; R165-L182 HydrophobicContact CG-CB 4.29Å; R165-K183 PolarHBondContact NE-O 3.14Å; R165-K183 PolarHBondContact NH2-O 3.38Å; R165-Y184 HydrophobicContact CB-CE2 4.5Å; R165-Y184 HydrophobicContact CG-CD2 4.43Å; R165-Y184 HydrophobicContact CG-CE1 4.37Å; R165-Y184 HydrophobicContact CG-CE2 3.77Å; R165-S298 VanDerWaalsContact NH2-CA 3.34Å; R165-S298 VanDerWaalsContact NH2-CB 3.3Å
166K97.4Very high92.6Very high133 Ų13362.7 Ų62.758%0.57830%0.302SS*.EExtended strand (participates in β ladder)trans-150153.8174.259.3156.8-169.2165.10110.8V151 L182V151-K166 CarbonylContact O-C 3.52Å; V151-K166 WeakPolarHBondContact O-CA 3.45Å; V151-K166 WeakPolarHBondContact O-CB 3.28Å; K166-L182 WeakPolarHBondContact O-CD2 3.38Å
167T98.6Very high92.9Very high3 Ų366.1 Ų66.12%0.01832%0.323CS..  trans-78.6178.4165.961.80000111.2I131 V151 F178 E180 L182I131-T167 HydrophobicContact CB-CG2 4.19Å; I131-T167 HydrophobicContact CG1-CG2 4.14Å; I131-T167 HydrophobicContact CG2-CG2 4.2Å; V151-T167 HydrophobicContact CB-CG2 3.94Å; V151-T167 HydrophobicContact CG2-CG2 4.45Å; V151-T167 PolarHBondContact N-OG1 2.95Å; V151-T167 PolarHBondContact O-N 2.67Å; T167-F178 HydrophobicContact CG2-CB 4.41Å; T167-F178 HydrophobicContact CG2-CD1 4.12Å; T167-F178 HydrophobicContact CG2-CG 4.28Å; T167-E180 WeakPolarHBondContact CA-OE2 3.45Å; T167-E180 WeakPolarHBondContact CB-OE1 3.42Å; T167-E180 HydrophobicContact CG2-CB 4.03Å; T167-L182 HydrophobicContact CG2-CD1 4.29Å
168R98.1Very high93.4Very high191 Ų19165.5 Ų65.572%0.72132%0.318SS*.  trans-63.8167.7155.8-62.1169-174.3-93.9-1110.4Y150 E180Y150-R168 VanDerWaalsContact CB-O 3.3Å; Y150-R168 WeakPolarHBondContact CB-O 3.32Å; R168-E180 VanDerWaalsContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CG-OE1 3.39Å; R168-E180 VanDerWaalsContact N-CD 3.32Å; R168-E180 PolarHBondContact N-OE1 3.37Å; R168-E180 PolarHBondContact N-OE2 3.3Å; R168-E180 VanDerWaalsContact N-OE2 3.08Å
169V98.1Very high94Very high50 Ų5071.3 Ų71.330%0.30335%0.345SS..  trans-100.5114.5177.7-178.80000108.2N148 Y150 L203N148-V169 HydrophobicContact CB-CG1 3.89Å; Y150-V169 HydrophobicContact CD1-CG2 3.97Å; Y150-V169 HydrophobicContact CG-CG2 4.02Å; V169-L203 HydrophobicContact CG1-CB 4.07Å; V169-L203 HydrophobicContact CG1-CD2 4.37Å; V169-L203 HydrophobicContact CG2-CB 4.49Å; V169-L203 HydrophobicContact CG2-CD2 3.98Å
170Q98.3Very high94.6Very high73 Ų7369.5 Ų69.534%0.34134%0.339SS..  trans-76.3150.2167.4-65.9-61.35.400109.9N148 P149 T173 P176 T177 F178N148-Q170 CarbonylContact C-O 3.58Å; N148-Q170 WeakPolarHBondContact CA-O 3.43Å; N148-Q170 WeakPolarHBondContact CB-O 3.47Å; P149-Q170 WeakPolarHBondContact CD-O 3.26Å; P149-Q170 HydrophobicContact CG-CB 4.37Å; P149-Q170 PolarHBondContact O-N 2.98Å; Q170-T173 HydrophobicContact CB-CG2 4.02Å; Q170-P176 HydrophobicContact CB-CB 3.88Å; Q170-P176 HydrophobicContact CG-CB 3.93Å; Q170-T177 WeakPolarHBondContact CG-O 3.2Å; Q170-T177 PolarHBondContact NE2-O 3.34Å; Q170-F178 HydrophobicContact CB-CE1 4.44Å; Q170-F178 HydrophobicContact CG-CD1 4.04Å; Q170-F178 HydrophobicContact CG-CE1 3.86Å
171K97Very high95.3Very high174 Ų17471.1 Ų71.176%0.75735%0.348SS*.  trans-109.7135.1-171.8-67.8177.5-178.3174.70111.1T173K171-T173 PolarHBondContact O-N 3.22Å
172N96.6Very high96.1Very high100 Ų10068.4 Ų68.454%0.53533%0.328SS..SBendtrans46.949.1170-154.190.7000115.3C147 N148C147-N172 CarbonylContact O-C 3.46Å; C147-N172 WeakPolarHBondContact O-CA 3.43Å; C147-N172 PolarHBondContact O-N 3.22Å; N148-N172 PolarHBondContact OD1-N 3.21Å
173T98.1Very high96.8Very high43 Ų4369.5 Ų69.526%0.26433%0.332SS..  trans-141147.8178.3-1800000111.6C147 P149 Q170 K171 D175 P176C147-T173 WeakPolarHBondContact CB-O 3.44Å; C147-T173 PolarHBondContact O-N 3.21Å; P149-T173 WeakPolarHBondContact CD-O 3.41Å; P149-T173 HydrophobicContact CG-CG2 4.16Å; Q170-T173 HydrophobicContact CB-CG2 4.02Å; K171-T173 PolarHBondContact O-N 3.22Å; T173-D175 PolarHBondContact OG1-N 2.98Å; T173-D175 PolarHBondContact OG1-O 3.23Å; T173-P176 HydrophobicContact CG2-CB 3.86Å
174L98Very high97.3Very high38 Ų3869.7 Ų69.720%0.19933%0.331CS..SBendtrans-96.2-10.3169.6-54.2-173.4000112.4L137 Y139 C147 P176L137-L174 HydrophobicContact CB-CB 4.44Å; L137-L174 VanDerWaalsContact CB-O 3.29Å; L137-L174 WeakPolarHBondContact CB-O 3.31Å; L137-L174 VanDerWaalsContact CG-O 3.23Å; L137-L174 WeakPolarHBondContact CG-O 3.35Å; L137-L174 PolarHBondContact N-O 2.68Å; L137-L174 VanDerWaalsContact N-O 3.11Å; L137-L174 WeakPolarHBondContact O-CD2 3.19Å; Y139-L174 HydrophobicContact CD1-CD2 3.76Å; Y139-L174 HydrophobicContact CE1-CD1 3.97Å; Y139-L174 HydrophobicContact CE1-CD2 3.81Å; Y139-L174 HydrophobicContact CE1-CG 4.22Å; Y139-L174 HydrophobicContact CE2-CD1 4.4Å; Y139-L174 HydrophobicContact CG-CD2 4.41Å; C147-L174 HydrophobicContact CB-CD2 3.57Å; L174-P176 WeakPolarHBondContact O-CD 3.34Å
175D98.3Very high97.2Very high81 Ų8170 Ų7043%0.43333%0.334SS..SBendtrans-128.565.9-173.1-49.8-81.6000109.2C134 K135 N136 T173C134-D175 CarbonylContact O-C 3.58Å; C134-D175 WeakPolarHBondContact O-CA 3.37Å; K135-D175 WeakPolarHBondContact CA-OD1 3.43Å; K135-D175 WeakPolarHBondContact CB-OD1 3.3Å; N136-D175 PolarHBondContact N-OD1 2.65Å; T173-D175 PolarHBondContact OG1-N 2.98Å; T173-D175 PolarHBondContact OG1-O 3.23Å
176P98.2Very high96.9Very high2 Ų268.1 Ų68.11%0.01333%0.327CS..  trans-80.3117-173.732-39000113.6T133 C134 L137 P149 Q170 T173 L174 F178T133-P176 CarbonylContact C-O 3.51Å; T133-P176 WeakPolarHBondContact CA-O 3.42Å; T133-P176 PolarHBondContact OG1-O 3.14Å; T133-P176 VanDerWaalsContact OG1-O 3.07Å; C134-P176 HydrophobicContact CB-CG 3.79Å; C134-P176 PolarHBondContact N-O 3.23Å; L137-P176 HydrophobicContact CD1-CG 3.74Å; P149-P176 HydrophobicContact CB-CB 4.44Å; P149-P176 HydrophobicContact CB-CG 3.97Å; P149-P176 HydrophobicContact CG-CB 3.55Å; P149-P176 HydrophobicContact CG-CG 3.46Å; P149-P176 VanDerWaalsContact CG-CG 3.46Å; Q170-P176 HydrophobicContact CB-CB 3.88Å; Q170-P176 HydrophobicContact CG-CB 3.93Å; T173-P176 HydrophobicContact CG2-CB 3.86Å; L174-P176 WeakPolarHBondContact O-CD 3.34Å; P176-F178 HydrophobicContact CB-CD2 4.4Å; P176-F178 HydrophobicContact CB-CE1 4.37Å; P176-F178 HydrophobicContact CB-CE2 3.72Å; P176-F178 HydrophobicContact CB-CZ 3.7Å; P176-F178 HydrophobicContact CG-CD2 4.48Å; P176-F178 HydrophobicContact CG-CE2 3.55Å; P176-F178 HydrophobicContact CG-CZ 3.77Å; P176-F178 WeakPolarHBondContact O-CD2 3.46Å
177T98.4Very high96.4Very high78 Ų7866.1 Ų66.148%0.47932%0.323SS..EExtended strand (participates in β ladder)trans-74.3133.3160.5-46.40000110.1Q170 E179Q170-T177 WeakPolarHBondContact CG-O 3.2Å; Q170-T177 PolarHBondContact NE2-O 3.34Å; T177-E179 HydrophobicContact CG2-CG 3.87Å
178F98.2Very high95.9Very high15 Ų1568.6 Ų68.67%0.06634%0.339CS..EExtended strand (participates in β ladder)trans-117.3-49.7179.3-66.9-76.8000112.6I131 K132 P149 V151 T167 Q170 P176 E180I131-F178 HydrophobicContact CG2-CB 3.97Å; I131-F178 HydrophobicContact CG2-CD2 3.74Å; I131-F178 HydrophobicContact CG2-CG 4.07Å; K132-F178 PolarHBondContact O-N 2.79Å; P149-F178 HydrophobicContact CB-CZ 4.41Å; V151-F178 HydrophobicContact CG2-CD2 4.25Å; V151-F178 HydrophobicContact CG2-CE2 3.79Å; V151-F178 HydrophobicContact CG2-CZ 4.08Å; T167-F178 HydrophobicContact CG2-CB 4.41Å; T167-F178 HydrophobicContact CG2-CD1 4.12Å; T167-F178 HydrophobicContact CG2-CG 4.28Å; Q170-F178 HydrophobicContact CB-CE1 4.44Å; Q170-F178 HydrophobicContact CG-CD1 4.04Å; Q170-F178 HydrophobicContact CG-CE1 3.86Å; P176-F178 HydrophobicContact CB-CD2 4.4Å; P176-F178 HydrophobicContact CB-CE1 4.37Å; P176-F178 HydrophobicContact CB-CE2 3.72Å; P176-F178 HydrophobicContact CB-CZ 3.7Å; P176-F178 HydrophobicContact CG-CD2 4.48Å; P176-F178 HydrophobicContact CG-CE2 3.55Å; P176-F178 HydrophobicContact CG-CZ 3.77Å; P176-F178 WeakPolarHBondContact O-CD2 3.46Å; F178-E180 PolarHBondContact O-N 3.22Å
179E97.1Very high95.3Very high143 Ų14361.6 Ų61.667%0.66833%0.326SS*.EExtended strand (participates in β ladder)trans52.531.6-175-59.9-173.4135.200114.6I131 K132 T177I131-E179 CarbonylContact O-C 3.57Å; I131-E179 VanDerWaalsContact O-CA 3.28Å; I131-E179 WeakPolarHBondContact O-CA 3.38Å; I131-E179 PolarHBondContact O-N 3.24Å; K132-E179 PolarHBondContact O-N 3.17Å; T177-E179 HydrophobicContact CG2-CG 3.87Å
180E98.2Very high94.7Very high41 Ų4159.7 Ų59.719%0.19231%0.314CS..EExtended strand (participates in β ladder)trans-104.2126.6-176.4-81.2-179.4-101.300112.1I131 T167 R168 F178I131-E180 PolarHBondContact N-O 3.29Å; I131-E180 PolarHBondContact O-N 3.4Å; I131-E180 VanDerWaalsContact O-N 3.12Å; T167-E180 WeakPolarHBondContact CA-OE2 3.45Å; T167-E180 WeakPolarHBondContact CB-OE1 3.42Å; T167-E180 HydrophobicContact CG2-CB 4.03Å; R168-E180 VanDerWaalsContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CG-OE1 3.39Å; R168-E180 VanDerWaalsContact N-CD 3.32Å; R168-E180 PolarHBondContact N-OE1 3.37Å; R168-E180 PolarHBondContact N-OE2 3.3Å; R168-E180 VanDerWaalsContact N-OE2 3.08Å; F178-E180 PolarHBondContact O-N 3.22Å
181T97Very high94.3Very high62 Ų6256.4 Ų56.438%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-95.7113.8176.1-58.20000111.3E128 I129 C130 K183E128-T181 HydrophobicContact CB-CG2 3.92Å; I129-T181 WeakPolarHBondContact O-CA 3.29Å; C130-T181 PolarHBondContact SG-OG1 3.15Å; T181-K183 HydrophobicContact CG2-CG 4.24Å
182L97.2Very high93.8Very high13 Ų1353.1 Ų53.17%0.06829%0.287CS..EExtended strand (participates in β ladder)trans-95.6123.5-180-53.8-177.6000109.9I129 I131 T153 R165 K166 T167I129-L182 WeakPolarHBondContact CD1-O 3.42Å; I129-L182 PolarHBondContact N-O 3.34Å; I129-L182 PolarHBondContact O-N 2.91Å; I131-L182 HydrophobicContact CG1-CD1 4.04Å; I131-L182 HydrophobicContact CG1-CG 4.31Å; T153-L182 HydrophobicContact CG2-CD1 3.89Å; R165-L182 HydrophobicContact CB-CB 3.89Å; R165-L182 HydrophobicContact CB-CD1 4.01Å; R165-L182 HydrophobicContact CB-CD2 4.26Å; R165-L182 HydrophobicContact CB-CG 4.27Å; R165-L182 HydrophobicContact CG-CB 4.29Å; K166-L182 WeakPolarHBondContact O-CD2 3.38Å; T167-L182 HydrophobicContact CG2-CD1 4.29Å
183K95.7Very high93.3Very high106 Ų10650.9 Ų50.946%0.46128%0.278SS..EExtended strand (participates in β ladder)trans-112.5141.6-171.9-54-165.3-177.8-152.40114.1L127 E128 R165 T181L127-K183 WeakPolarHBondContact O-CA 3.48Å; E128-K183 HydrophobicContact CB-CG 4.45Å; E128-K183 HydrophobicContact CG-CD 4.05Å; E128-K183 HydrophobicContact CG-CG 4.03Å; E128-K183 WeakPolarHBondContact OE1-CD 3.25Å; E128-K183 WeakPolarHBondContact OE1-CE 3.5Å; E128-K183 IonicContact OE1-NZ 2.7Å; E128-K183 PolarHBondContact OE1-NZ 3.47Å; E128-K183 WeakPolarHBondContact OE2-CE 3.48Å; E128-K183 IonicContact OE2-NZ 3.13Å; E128-K183 PolarHBondContact OE2-NZ 2.68Å; R165-K183 PolarHBondContact NE-O 3.14Å; R165-K183 PolarHBondContact NH2-O 3.38Å; T181-K183 HydrophobicContact CG2-CG 4.24Å
184Y94.5Very high92.9Very high9 Ų949.2 Ų49.24%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-123.1131.7173.4-68.3-102.5000110S126 L127 I129 T153 Y154 L155 G163 R165S126-Y184 CarbonylContact C-O 3.55Å; S126-Y184 WeakPolarHBondContact CA-O 3.38Å; S126-Y184 WeakPolarHBondContact CB-O 3.47Å; L127-Y184 PolarHBondContact N-O 3.04Å; L127-Y184 PolarHBondContact O-N 3.47Å; I129-Y184 HydrophobicContact CD1-CD2 3.58Å; I129-Y184 HydrophobicContact CD1-CE2 3.73Å; T153-Y184 WeakPolarHBondContact CB-OH 3.37Å; T153-Y184 PolarHBondContact O-OH 2.9Å; T153-Y184 PolarHBondContact OG1-OH 3.34Å; Y154-Y184 WeakPolarHBondContact CA-OH 3.36Å; Y154-Y184 PolarHBondContact N-OH 2.83Å; L155-Y184 HydrophobicContact CB-CD1 3.68Å; L155-Y184 HydrophobicContact CB-CE1 3.6Å; L155-Y184 HydrophobicContact CB-CG 4.44Å; L155-Y184 HydrophobicContact CD2-CD1 4.12Å; L155-Y184 HydrophobicContact CD2-CG 4.44Å; G163-Y184 WeakPolarHBondContact O-CE1 3.5Å; R165-Y184 HydrophobicContact CB-CE2 4.5Å; R165-Y184 HydrophobicContact CG-CD2 4.43Å; R165-Y184 HydrophobicContact CG-CE1 4.37Å; R165-Y184 HydrophobicContact CG-CE2 3.77Å
185Q92.6Very high92.7Very high71 Ų7150.1 Ų50.133%0.33227%0.267SS..EExtended strand (participates in β ladder)trans-79116.6164.7-74.4-63.5-27.200108.7S124 C125S124-Q185 PolarHBondContact O-NE2 2.91Å; S124-Q185 VanDerWaalsContact O-NE2 3.1Å; S124-Q185 PolarHBondContact O-OE1 3.07Å; S124-Q185 VanDerWaalsContact O-OE1 3.11Å; C125-Q185 PolarHBondContact O-OE1 2.9Å
186V89.4Confident92.5Very high5 Ų546.3 Ų46.33%0.0325%0.247CC..  trans-158.3128.3-176.458.40000110.6Y120 C125 L127 L155 Q190 L191Y120-V186 HydrophobicContact CE2-CG1 4.11Å; Y120-V186 VanDerWaalsContact CE2-O 3.29Å; Y120-V186 WeakPolarHBondContact CE2-O 3.48Å; Y120-V186 PolarHBondContact OH-O 3.42Å; C125-V186 CarbonylContact O-C 3.6Å; C125-V186 PolarHBondContact O-N 3.31Å; L127-V186 HydrophobicContact CB-CG1 3.68Å; L155-V186 HydrophobicContact CD2-CB 4.1Å; L155-V186 HydrophobicContact CD2-CG1 4.22Å; L155-V186 HydrophobicContact CD2-CG2 4.04Å; V186-Q190 HydrophobicContact CG2-CB 3.71Å; V186-L191 HydrophobicContact CG1-CD2 3.79Å; V186-L191 HydrophobicContact CG2-CD2 4.3Å
187D87.6Confident92.5Very high91 Ų9146.5 Ų46.549%0.48725%0.247SC..  trans-62.7144.2176.9-179.8-86.2000111.9G189 Q190D187-G189 PolarHBondContact O-N 2.94Å; D187-G189 WeakPolarHBondContact OD1-CA 3.48Å; D187-G189 PolarHBondContact OD1-N 2.84Å; D187-Q190 HydrophobicContact CB-CG 4.38Å; D187-Q190 WeakPolarHBondContact O-CB 3.45Å; D187-Q190 PolarHBondContact O-N 3.11Å
188P87.3Confident92.4Very high55 Ų5542.8 Ų42.836%0.35723%0.225SC..Hα-helixtrans-57.1-35.4-177.8-20.930.3000113.4Y120 Q190 L191Y120-P188 HydrophobicContact CE1-CB 4.33Å; Y120-P188 HydrophobicContact CE1-CG 3.83Å; Y120-P188 VanDerWaalsContact OH-CD 3.25Å; Y120-P188 WeakPolarHBondContact OH-CD 3.45Å; Y120-P188 WeakPolarHBondContact OH-CG 3.17Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.89Å; P188-L191 WeakPolarHBondContact O-CB 3.31Å; P188-L191 PolarHBondContact O-N 2.94Å
189G86Confident92.4Very high44 Ų4442.1 Ų42.145%0.45422%0.222SC..Hα-helixtrans-68.6-22.8178.600000113.6D187D187-G189 PolarHBondContact O-N 2.94Å; D187-G189 WeakPolarHBondContact OD1-CA 3.48Å; D187-G189 PolarHBondContact OD1-N 2.84Å
190Q85.2Confident92.4Very high9 Ų935.3 Ų35.34%0.04219%0.19CC..Hα-helixtrans-77.9-25.1173.5-69.3-158.221.600113.2V186 D187 P188 M192 T193 R194 L294V186-Q190 HydrophobicContact CG2-CB 3.71Å; D187-Q190 HydrophobicContact CB-CG 4.38Å; D187-Q190 WeakPolarHBondContact O-CB 3.45Å; D187-Q190 PolarHBondContact O-N 3.11Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.89Å; Q190-M192 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact O-N 3.12Å; Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T193 VanDerWaalsContact O-OG1 3.12Å; Q190-R194 VanDerWaalsContact O-CG 3.29Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-L294 PolarHBondContact NE2-O 3.33Å; Q190-L294 PolarHBondContact OE1-O 2.91Å
191L89.5Confident92.4Very high4 Ų434.7 Ų34.72%0.02119%0.186CC..Hα-helixtrans-54.5-38.9-175.6-63.5172.4000111.9Y120 L127 V186 P188 T193 R194 L219 F224Y120-L191 HydrophobicContact CD1-CD1 4.44Å; Y120-L191 HydrophobicContact CD2-CD1 3.69Å; Y120-L191 HydrophobicContact CD2-CD2 4.17Å; Y120-L191 HydrophobicContact CD2-CG 4.47Å; Y120-L191 HydrophobicContact CE2-CD1 3.92Å; Y120-L191 HydrophobicContact CE2-CD2 4.26Å; Y120-L191 HydrophobicContact CE2-CG 4.44Å; Y120-L191 HydrophobicContact CG-CD1 3.97Å; L127-L191 HydrophobicContact CB-CD2 4.45Å; L127-L191 HydrophobicContact CD1-CD2 4.08Å; L127-L191 HydrophobicContact CD2-CD2 4.42Å; V186-L191 HydrophobicContact CG1-CD2 3.79Å; V186-L191 HydrophobicContact CG2-CD2 4.3Å; P188-L191 WeakPolarHBondContact O-CB 3.31Å; P188-L191 PolarHBondContact O-N 2.94Å; L191-T193 PolarHBondContact O-N 3.29Å; L191-T193 VanDerWaalsContact O-N 3.13Å; L191-R194 PolarHBondContact O-N 3.16Å; L191-R194 VanDerWaalsContact O-N 3.17Å; L191-L219 HydrophobicContact CD2-CD1 4.25Å; L191-L219 WeakPolarHBondContact O-CB 3.45Å; L191-F224 HydrophobicContact CB-CE2 4.29Å; L191-F224 HydrophobicContact CD1-CD2 4.11Å; L191-F224 HydrophobicContact CD1-CE2 3.8Å; L191-F224 HydrophobicContact CD1-CZ 4.09Å; L191-F224 HydrophobicContact CD2-CZ 4.47Å
192M86.1Confident92.3Very high105 Ų10531.7 Ų31.752%0.51717%0.168SC..THydrogen-bonded Turntrans-67.2-11.8-178.8-50.8-54.4157.200114.3Q190Q190-M192 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact O-N 3.12Å
193T85.8Confident92.3Very high54 Ų5433.8 Ų33.833%0.33118%0.179SC..THydrogen-bonded Turntrans-114.314.117766.30000113.3Q190 L191Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T193 VanDerWaalsContact O-OG1 3.12Å; L191-T193 PolarHBondContact O-N 3.29Å; L191-T193 VanDerWaalsContact O-N 3.13Å
194R90Very high92.1Very high7 Ų729.2 Ų29.23%0.02616%0.162CC..  trans-120.3154.9-177.1-59.6-66.8178.5-118.80.9112.6L155 L156 Q190 L191 L219 N251 N293 L294L155-R194 HydrophobicContact CD1-CB 3.67Å; L155-R194 HydrophobicContact CD1-CG 4.25Å; L155-R194 HydrophobicContact CD2-CG 4.37Å; L155-R194 HydrophobicContact CG-CB 4.02Å; L155-R194 HydrophobicContact CG-CG 4.11Å; L156-R194 WeakPolarHBondContact O-CA 3.4Å; L156-R194 WeakPolarHBondContact O-CD 3.22Å; Q190-R194 VanDerWaalsContact O-CG 3.29Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; L191-R194 PolarHBondContact O-N 3.16Å; L191-R194 VanDerWaalsContact O-N 3.17Å; R194-L219 HydrophobicContact CB-CD1 4.37Å; R194-L219 PolarHBondContact O-N 3.1Å; R194-N251 PolarHBondContact NH1-O 3.12Å; R194-N293 PolarHBondContact NH2-O 2.76Å; R194-L294 PolarHBondContact NH2-O 2.75Å
195R93.7Very high91.8Very high58 Ų5832.8 Ų32.822%0.21919%0.185CC..EExtended strand (participates in β ladder)trans-124128.1171.6-51.4-174.4-71.7141.91.2109.1L156 I216 L217 P218 E245L156-R195 HydrophobicContact CB-CB 4.22Å; L156-R195 WeakPolarHBondContact CB-O 3.29Å; L156-R195 HydrophobicContact CD1-CB 4.44Å; L156-R195 PolarHBondContact N-O 2.76Å; L156-R195 PolarHBondContact O-N 3.06Å; R195-I216 HydrophobicContact CB-CG2 4.18Å; R195-L217 CarbonylContact C-O 3.5Å; R195-L217 WeakPolarHBondContact CA-O 3.44Å; R195-P218 HydrophobicContact CG-CB 4.37Å; R195-E245 IonicContact CZ-OE1 3.96Å; R195-E245 IonicContact CZ-OE2 2.75Å; R195-E245 IonicContact NH1-OE1 2.71Å; R195-E245 PolarHBondContact NH1-OE1 3.19Å; R195-E245 IonicContact NH1-OE2 3.79Å; R195-E245 VanDerWaalsContact NH2-CD 3.35Å; R195-E245 IonicContact NH2-OE1 3.62Å; R195-E245 PolarHBondContact NH2-OE1 2.64Å; R195-E245 IonicContact NH2-OE2 2.74Å; R195-E245 PolarHBondContact NH2-OE2 2.95Å
196L95.5Very high91.5Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-81119.7172.8177.367.8000108.7F116 I118 I129 V198 I216 L217 L219F116-L196 HydrophobicContact CE2-CD2 4.17Å; I118-L196 HydrophobicContact CD1-CD2 3.64Å; I118-L196 HydrophobicContact CG1-CD2 4.13Å; I129-L196 HydrophobicContact CD1-CD1 4.17Å; I129-L196 HydrophobicContact CG1-CD1 3.93Å; I129-L196 HydrophobicContact CG1-CD2 3.66Å; I129-L196 HydrophobicContact CG1-CG 4.47Å; I129-L196 HydrophobicContact CG2-CD2 4.27Å; L196-V198 HydrophobicContact CD1-CG2 4.35Å; L196-V198 HydrophobicContact CD2-CG2 3.77Å; L196-V198 HydrophobicContact CG-CG2 3.75Å; L196-I216 WeakPolarHBondContact O-CA 3.48Å; L196-L217 PolarHBondContact N-O 3.03Å; L196-L217 PolarHBondContact O-N 3.42Å; L196-L219 HydrophobicContact CB-CD1 4.45Å; L196-L219 HydrophobicContact CB-CD2 3.98Å; L196-L219 HydrophobicContact CB-CG 4.31Å
197Q96.7Very high91.3Very high6 Ų640.8 Ų40.83%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-99.9120.7169179.9-177.418.100108.2T153 Y154 L156 E214 I216T153-Q197 CarbonylContact C-O 3.46Å; T153-Q197 WeakPolarHBondContact CA-O 3.45Å; Y154-Q197 PolarHBondContact N-O 3.02Å; Y154-Q197 PolarHBondContact O-N 3.38Å; L156-Q197 HydrophobicContact CD1-CB 4.05Å; L156-Q197 HydrophobicContact CG-CB 4.1Å; Q197-E214 PolarHBondContact NE2-OE2 3.24Å; Q197-I216 HydrophobicContact CB-CG1 4.31Å; Q197-I216 HydrophobicContact CG-CD1 4.5Å; Q197-I216 HydrophobicContact CG-CG1 4.09Å
198V97.7Very high91.4Very high1 Ų141.3 Ų41.31%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-115.4120.4174.8-171.70000107.7I114 F116 I131 V151 T153 L196 E214 V215I114-V198 HydrophobicContact CD1-CG1 3.81Å; F116-V198 HydrophobicContact CE1-CB 4.33Å; F116-V198 HydrophobicContact CE1-CG1 4.3Å; F116-V198 HydrophobicContact CE1-CG2 4.19Å; F116-V198 HydrophobicContact CE2-CG2 3.9Å; F116-V198 HydrophobicContact CZ-CB 4.27Å; F116-V198 HydrophobicContact CZ-CG2 3.68Å; I131-V198 HydrophobicContact CD1-CG1 4.11Å; V151-V198 HydrophobicContact CG1-CG1 3.57Å; T153-V198 HydrophobicContact CG2-CB 4.32Å; T153-V198 HydrophobicContact CG2-CG1 4.07Å; T153-V198 HydrophobicContact CG2-CG2 4.04Å; L196-V198 HydrophobicContact CD1-CG2 4.35Å; L196-V198 HydrophobicContact CD2-CG2 3.77Å; L196-V198 HydrophobicContact CG-CG2 3.75Å; V198-E214 CarbonylContact O-C 3.22Å; V198-E214 VanDerWaalsContact O-CA 3.23Å; V198-E214 WeakPolarHBondContact O-CA 3.3Å; V198-E214 WeakPolarHBondContact O-CB 3.33Å; V198-V215 PolarHBondContact N-O 3.24Å; V198-V215 PolarHBondContact O-N 3.05Å
199S97.2Very high91.6Very high1 Ų144.2 Ų44.21%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-134.3135.4-171.356.60000111.6V151 K152 W201 G213V151-S199 CarbonylContact C-O 3.57Å; V151-S199 WeakPolarHBondContact CA-O 3.33Å; K152-S199 PolarHBondContact N-O 2.96Å; K152-S199 PolarHBondContact O-N 3.24Å; K152-S199 PolarHBondContact O-OG 3.28Å; S199-W201 VanDerWaalsContact O-CD1 3.25Å; S199-W201 PolarHBondContact OG-NE1 2.89Å; S199-G213 WeakPolarHBondContact CA-O 3.36Å
200V98Very high91.9Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-101.4138-177.7-167.80000109.3I114 L137 P149 V151 L212 G213 L237I114-V200 HydrophobicContact CD1-CG2 4.07Å; L137-V200 HydrophobicContact CD1-CG1 3.95Å; L137-V200 HydrophobicContact CD2-CG1 4.07Å; P149-V200 HydrophobicContact CB-CG1 4.41Å; V151-V200 HydrophobicContact CG2-CG2 4.4Å; V200-L212 HydrophobicContact CB-CB 4.2Å; V200-L212 HydrophobicContact CG1-CB 4.2Å; V200-L212 HydrophobicContact CG1-CD1 4.19Å; V200-L212 WeakPolarHBondContact O-CB 3.49Å; V200-L212 PolarHBondContact O-N 2.84Å; V200-G213 PolarHBondContact N-O 3.08Å; V200-L237 HydrophobicContact CB-CD1 4.35Å; V200-L237 HydrophobicContact CG2-CD1 3.91Å; V200-L237 HydrophobicContact CG2-CD2 3.63Å; V200-L237 HydrophobicContact CG2-CG 4.46Å
201W97.3Very high92.4Very high27 Ų2742.1 Ų42.110%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-141.6144.6-172.1-62.281.5000111.7F105 P149 Y150 K152 S199 R209 V210 F211F105-W201 HydrophobicContact CB-CZ3 4.29Å; F105-W201 HydrophobicContact CD1-CZ3 4.42Å; F105-W201 HydrophobicContact CD2-CH2 4.22Å; F105-W201 HydrophobicContact CD2-CZ3 4.07Å; F105-W201 AromaticContact CG-CZ3 3.99Å; F105-W201 HydrophobicContact CG-CZ3 3.99Å; P149-W201 CarbonylContact C-O 3.41Å; P149-W201 VanDerWaalsContact CA-O 3.3Å; P149-W201 WeakPolarHBondContact CA-O 3.01Å; Y150-W201 HydrophobicContact CD1-CB 4.12Å; Y150-W201 WeakPolarHBondContact CD1-O 3.19Å; Y150-W201 HydrophobicContact CD2-CB 4.49Å; Y150-W201 HydrophobicContact CE1-CB 3.59Å; Y150-W201 WeakPolarHBondContact CE1-O 3.25Å; Y150-W201 HydrophobicContact CE2-CB 4.02Å; Y150-W201 HydrophobicContact CE2-CG 4.46Å; Y150-W201 PolarHBondContact N-O 3.43Å; Y150-W201 PolarHBondContact O-N 2.88Å; K152-W201 HydrophobicContact CD-CZ2 4.5Å; S199-W201 VanDerWaalsContact O-CD1 3.25Å; S199-W201 PolarHBondContact OG-NE1 2.89Å; W201-R209 HydrophobicContact CE3-CB 4.27Å; W201-V210 WeakPolarHBondContact CA-O 3.24Å; W201-F211 HydrophobicContact CD2-CD2 4.25Å; W201-F211 AromaticContact CE2-CD2 3.96Å; W201-F211 HydrophobicContact CE3-CB 4.2Å; W201-F211 HydrophobicContact CE3-CD2 4.39Å; W201-F211 HydrophobicContact CH2-CD2 4.03Å; W201-F211 AromaticContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CE2 4.44Å; W201-F211 HydrophobicContact CZ3-CB 4.1Å; W201-F211 HydrophobicContact CZ3-CD2 4.29Å
202H96.5Very high92.7Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-84.4143.6167.2-179.879.6000111.3E141 K146 C147 N148 G204 R209 V210 L212E141-H202 IonicContact OE1-NE2 3.21Å; E141-H202 PolarHBondContact OE1-NE2 2.85Å; K146-H202 PolarHBondContact O-CE1 3.29Å; C147-H202 WeakPolarHBondContact CA-ND1 3.33Å; N148-H202 PolarHBondContact N-CE1 2.96Å; N148-H202 PolarHBondContact N-ND1 3.21Å; H202-G204 VanDerWaalsContact CD2-CA 3.49Å; H202-G204 WeakPolarHBondContact CD2-CA 3.36Å; H202-G204 PolarHBondContact CD2-N 3.38Å; H202-G204 WeakPolarHBondContact NE2-CA 3.31Å; H202-G204 PolarHBondContact NE2-N 3.08Å; H202-R209 WeakPolarHBondContact O-CA 3.23Å; H202-V210 HydrophobicContact CB-CB 4.01Å; H202-V210 PolarHBondContact N-O 2.91Å; H202-V210 PolarHBondContact O-N 3.02Å; H202-L212 HydrophobicContact CB-CD1 4.08Å; H202-L212 HydrophobicContact CB-CD2 4.29Å; H202-L212 HydrophobicContact CB-CG 4.26Å
203L96Very high93.2Very high57 Ų5736.9 Ų36.930%0.29819%0.189SC..EExtended strand (participates in β ladder)trans-107.9105.7161.3-174.463.4000110.5N148 Y150 V169 A207N148-L203 WeakPolarHBondContact CB-O 3.33Å; N148-L203 PolarHBondContact ND2-O 3.32Å; N148-L203 PolarHBondContact O-N 2.99Å; Y150-L203 HydrophobicContact CD1-CB 4.18Å; Y150-L203 HydrophobicContact CE1-CB 3.9Å; V169-L203 HydrophobicContact CG1-CB 4.07Å; V169-L203 HydrophobicContact CG1-CD2 4.37Å; V169-L203 HydrophobicContact CG2-CB 4.49Å; V169-L203 HydrophobicContact CG2-CD2 3.98Å; L203-A207 HydrophobicContact CD1-CB 4.3Å
204G91.9Very high93.7Very high10 Ų1035 Ų3510%0.10318%0.177CC..  trans-93-176.6-177.600000114.1E141 H202 A207 R208E141-G204 WeakPolarHBondContact OE1-CA 3.45Å; H202-G204 VanDerWaalsContact CD2-CA 3.49Å; H202-G204 WeakPolarHBondContact CD2-CA 3.36Å; H202-G204 PolarHBondContact CD2-N 3.38Å; H202-G204 WeakPolarHBondContact NE2-CA 3.31Å; H202-G204 PolarHBondContact NE2-N 3.08Å; G204-A207 PolarHBondContact O-N 2.85Å; G204-R208 PolarHBondContact N-O 2.75Å
205T87Confident94Very high84 Ų8435.3 Ų35.352%0.51518%0.179SC..G310 helixtrans-55.4146.217251.20000111.6E141 A207 R208E141-T205 PolarHBondContact OE1-N 2.91Å; T205-A207 PolarHBondContact O-N 2.98Å; T205-R208 PolarHBondContact O-N 3.41Å
206L87.2Confident94.1Very high179 Ų17935 Ų3594%0.93718%0.181SC*.G310 helixtrans56.428.4-176.1-55175.7000114R208L206-R208 PolarHBondContact O-N 3.3Å; L206-R208 VanDerWaalsContact O-N 3.1Å
207A85.3Confident94Very high65 Ų6536.3 Ų36.354%0.53719%0.188SC..G310 helixtrans60.214.6179.900000115.8L203 G204 T205L203-A207 HydrophobicContact CD1-CB 4.3Å; G204-A207 PolarHBondContact O-N 2.85Å; T205-A207 PolarHBondContact O-N 2.98Å
208R88.9Confident93.8Very high102 Ų10238.4 Ų38.439%0.38520%0.203SC..  trans-56141.6168.7175168.6158.4-92.416.1109.9D106 G204 T205 L206D106-R208 IonicContact OD1-CZ 2.69Å; D106-R208 IonicContact OD1-NE 3.67Å; D106-R208 PolarHBondContact OD1-NE 2.84Å; D106-R208 IonicContact OD1-NH2 3.52Å; D106-R208 PolarHBondContact OD1-NH2 2.85Å; D106-R208 IonicContact OD2-CZ 3.56Å; D106-R208 IonicContact OD2-NE 2.8Å; D106-R208 IonicContact OD2-NH2 3.36Å; D106-R208 PolarHBondContact OD2-NH2 2.85Å; G204-R208 PolarHBondContact N-O 2.75Å; T205-R208 PolarHBondContact O-N 3.41Å; L206-R208 PolarHBondContact O-N 3.3Å; L206-R208 VanDerWaalsContact O-N 3.1Å
209R92.5Very high93.5Very high115 Ų11538.4 Ų38.443%0.43420%0.202SC..EExtended strand (participates in β ladder)trans-117.9129.4-177.8-58.4171.4-173.1151.46.4108.3F105 Y150 W201 H202F105-R209 HydrophobicContact CD1-CB 3.93Å; F105-R209 HydrophobicContact CE1-CB 4.16Å; Y150-R209 WeakPolarHBondContact OH-CD 3.43Å; W201-R209 HydrophobicContact CE3-CB 4.27Å; H202-R209 WeakPolarHBondContact O-CA 3.23Å
210V93Very high93.1Very high4 Ų441 Ų412%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-115.7136.3175.3177.60000107.3D106 A108 G140 W201 H202D106-V210 HydrophobicContact CB-CG1 4.3Å; D106-V210 HydrophobicContact CB-CG2 4.14Å; D106-V210 WeakPolarHBondContact O-CA 3.37Å; D106-V210 VanDerWaalsContact O-CG1 3.27Å; D106-V210 WeakPolarHBondContact O-CG1 3.2Å; A108-V210 HydrophobicContact CB-CG1 4.09Å; G140-V210 WeakPolarHBondContact O-CG2 3.43Å; W201-V210 WeakPolarHBondContact CA-O 3.24Å; H202-V210 HydrophobicContact CB-CB 4.01Å; H202-V210 PolarHBondContact N-O 2.91Å; H202-V210 PolarHBondContact O-N 3.02Å
211F94.4Very high92.3Very high5 Ų548.5 Ų48.52%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-81.9131.3-179.4177.8-99000110.1D106 A108 V110 W201 G213 E214 K240D106-F211 PolarHBondContact O-N 2.8Å; A108-F211 PolarHBondContact N-O 2.85Å; V110-F211 HydrophobicContact CG2-CD1 4.34Å; V110-F211 HydrophobicContact CG2-CE1 4.22Å; W201-F211 HydrophobicContact CD2-CD2 4.25Å; W201-F211 AromaticContact CE2-CD2 3.96Å; W201-F211 HydrophobicContact CE3-CB 4.2Å; W201-F211 HydrophobicContact CE3-CD2 4.39Å; W201-F211 HydrophobicContact CH2-CD2 4.03Å; W201-F211 AromaticContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CE2 4.44Å; W201-F211 HydrophobicContact CZ3-CB 4.1Å; W201-F211 HydrophobicContact CZ3-CD2 4.29Å; F211-G213 VanDerWaalsContact CE1-CA 3.41Å; F211-G213 VanDerWaalsContact CZ-CA 3.48Å; F211-E214 HydrophobicContact CE2-CB 4.06Å; F211-E214 HydrophobicContact CE2-CG 4.4Å; F211-E214 HydrophobicContact CZ-CB 3.82Å; F211-E214 HydrophobicContact CZ-CG 3.84Å; F211-K240 HydrophobicContact CE1-CB 3.96Å; F211-K240 HydrophobicContact CZ-CB 3.97Å
212L95.7Very high91.6Very high0 Ų048.7 Ų48.70%026%0.262CS..EExtended strand (participates in β ladder)trans-113.73.5-176.5-56.1177.7000113.2A108 V110 A138 C147 P149 V200 H202A108-L212 HydrophobicContact CB-CD2 3.84Å; V110-L212 WeakPolarHBondContact CG1-O 3.46Å; A138-L212 HydrophobicContact CB-CD2 4.45Å; C147-L212 WeakPolarHBondContact SG-CD1 3.34Å; P149-L212 HydrophobicContact CB-CD1 4.42Å; V200-L212 HydrophobicContact CB-CB 4.2Å; V200-L212 HydrophobicContact CG1-CB 4.2Å; V200-L212 HydrophobicContact CG1-CD1 4.19Å; V200-L212 WeakPolarHBondContact O-CB 3.49Å; V200-L212 PolarHBondContact O-N 2.84Å; H202-L212 HydrophobicContact CB-CD1 4.08Å; H202-L212 HydrophobicContact CB-CD2 4.29Å; H202-L212 HydrophobicContact CB-CG 4.26Å
213G96.1Very high91Very high0 Ų052.9 Ų52.90%028%0.284CS..EExtended strand (participates in β ladder)trans121165177.200000114.4S199 V200 F211 R238S199-G213 WeakPolarHBondContact CA-O 3.36Å; V200-G213 PolarHBondContact N-O 3.08Å; F211-G213 VanDerWaalsContact CE1-CA 3.41Å; F211-G213 VanDerWaalsContact CZ-CA 3.48Å; G213-R238 CarbonylContact C-O 3.49Å; G213-R238 WeakPolarHBondContact CA-O 3.17Å
214E97Very high90.3Very high14 Ų1451.7 Ų51.77%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-145.5167.7179.373.3-170.7169.700114.6Q197 V198 F211 R238 K240Q197-E214 PolarHBondContact NE2-OE2 3.24Å; V198-E214 CarbonylContact O-C 3.22Å; V198-E214 VanDerWaalsContact O-CA 3.23Å; V198-E214 WeakPolarHBondContact O-CA 3.3Å; V198-E214 WeakPolarHBondContact O-CB 3.33Å; F211-E214 HydrophobicContact CE2-CB 4.06Å; F211-E214 HydrophobicContact CE2-CG 4.4Å; F211-E214 HydrophobicContact CZ-CB 3.82Å; F211-E214 HydrophobicContact CZ-CG 3.84Å; E214-R238 PolarHBondContact N-O 2.92Å; E214-R238 PolarHBondContact O-N 2.76Å; E214-K240 WeakPolarHBondContact OE1-CG 3.45Å
215V96.4Very high89.6Confident13 Ų1360.5 Ų60.58%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-131.9131.8174.1-1710000107I114 F116 V198 L217 Y235 L237I114-V215 HydrophobicContact CG2-CG2 3.77Å; F116-V215 HydrophobicContact CZ-CG1 4.48Å; V198-V215 PolarHBondContact N-O 3.24Å; V198-V215 PolarHBondContact O-N 3.05Å; V215-L217 HydrophobicContact CG1-CD2 4.08Å; V215-L217 HydrophobicContact CG1-CG 4.06Å; V215-Y235 HydrophobicContact CG1-CD1 3.93Å; V215-Y235 HydrophobicContact CG1-CG 4.01Å; V215-L237 HydrophobicContact CG2-CD2 4.11Å
216I95Very high89Confident51 Ų5158.9 Ų58.926%0.26230%0.3SS..EExtended strand (participates in β ladder)trans-121.9122175.9-59.9176.8000108.5R195 L196 Q197R195-I216 HydrophobicContact CB-CG2 4.18Å; L196-I216 WeakPolarHBondContact O-CA 3.48Å; Q197-I216 HydrophobicContact CB-CG1 4.31Å; Q197-I216 HydrophobicContact CG-CD1 4.5Å; Q197-I216 HydrophobicContact CG-CG1 4.09Å
217L93.3Very high88.1Confident28 Ų2854.6 Ų54.615%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-120.8115.7-176.5-61.7177.1000110.5F116 I118 R195 L196 V215 L219 W222 Y235F116-L217 HydrophobicContact CE2-CD1 3.87Å; F116-L217 HydrophobicContact CZ-CD1 3.66Å; I118-L217 HydrophobicContact CD1-CD1 3.92Å; R195-L217 CarbonylContact C-O 3.5Å; R195-L217 WeakPolarHBondContact CA-O 3.44Å; L196-L217 PolarHBondContact N-O 3.03Å; L196-L217 PolarHBondContact O-N 3.42Å; V215-L217 HydrophobicContact CG1-CD2 4.08Å; V215-L217 HydrophobicContact CG1-CG 4.06Å; L217-L219 PolarHBondContact O-N 2.97Å; L217-W222 HydrophobicContact CD1-CZ3 4.04Å; L217-Y235 HydrophobicContact CD1-CE1 4.05Å; L217-Y235 HydrophobicContact CD2-CD1 4.33Å; L217-Y235 HydrophobicContact CD2-CE1 3.93Å
218P93.2Very high87.4Confident51 Ų5155 Ų5533%0.33128%0.281SS..EExtended strand (participates in β ladder)trans-66.9119.5169.3-17.831.8000110.6R195 A220 M221R195-P218 HydrophobicContact CG-CB 4.37Å; P218-A220 PolarHBondContact O-N 3.13Å; P218-M221 HydrophobicContact CB-CE 4.22Å; P218-M221 HydrophobicContact CG-CE 3.98Å; P218-M221 PolarHBondContact O-N 3.12Å
219L92.1Very high86.2Confident0 Ų050.5 Ų50.50%027%0.266CS..G310 helixtrans-75.3-13.5-175.7-62.1-179.7000112.9I118 L127 L155 L191 R194 L196 L217 M221 W222 F224I118-L219 HydrophobicContact CD1-CD2 4.28Å; L127-L219 HydrophobicContact CD1-CD1 4.48Å; L127-L219 HydrophobicContact CD2-CD1 3.6Å; L155-L219 HydrophobicContact CD1-CD1 3.57Å; L191-L219 HydrophobicContact CD2-CD1 4.25Å; L191-L219 WeakPolarHBondContact O-CB 3.45Å; R194-L219 HydrophobicContact CB-CD1 4.37Å; R194-L219 PolarHBondContact O-N 3.1Å; L196-L219 HydrophobicContact CB-CD1 4.45Å; L196-L219 HydrophobicContact CB-CD2 3.98Å; L196-L219 HydrophobicContact CB-CG 4.31Å; L217-L219 PolarHBondContact O-N 2.97Å; L219-M221 PolarHBondContact O-N 3.12Å; L219-W222 PolarHBondContact O-N 3.14Å; L219-W222 VanDerWaalsContact O-N 3.13Å; L219-F224 HydrophobicContact CB-CZ 4.41Å; L219-F224 HydrophobicContact CD2-CZ 4.36Å
220A87.5Confident85.2Confident57 Ų5747.7 Ų47.747%0.47126%0.257SS..G310 helixtrans-59.9-21.3170.300000114.3P218P218-A220 PolarHBondContact O-N 3.13Å
221M81Confident84.8Confident156 Ų15652.2 Ų52.277%0.76828%0.282SS*.G310 helixtrans-104.27.4178.8-55-173.1-5400112.6P218 L219P218-M221 HydrophobicContact CB-CE 4.22Å; P218-M221 HydrophobicContact CG-CE 3.98Å; P218-M221 PolarHBondContact O-N 3.12Å; L219-M221 PolarHBondContact O-N 3.12Å
222W84.4Confident84.7Confident32 Ų3253.9 Ų53.912%0.12130%0.296CS..  trans-97.2116.3-176.4-162.6-84.6000110.7I118 L217 L219 F224 A229 Y235I118-W222 HydrophobicContact CB-CH2 4.35Å; I118-W222 HydrophobicContact CB-CZ2 3.65Å; I118-W222 HydrophobicContact CD1-CD2 4.01Å; I118-W222 HydrophobicContact CD1-CE3 3.92Å; I118-W222 HydrophobicContact CD1-CH2 3.73Å; I118-W222 HydrophobicContact CD1-CZ2 3.83Å; I118-W222 HydrophobicContact CD1-CZ3 3.78Å; I118-W222 HydrophobicContact CG1-CH2 3.96Å; I118-W222 HydrophobicContact CG1-CZ2 3.77Å; I118-W222 PolarHBondContact O-NE1 3.22Å; L217-W222 HydrophobicContact CD1-CZ3 4.04Å; L219-W222 PolarHBondContact O-N 3.14Å; L219-W222 VanDerWaalsContact O-N 3.13Å; W222-F224 HydrophobicContact CB-CE2 3.91Å; W222-F224 HydrophobicContact CB-CZ 3.92Å; W222-F224 AromaticContact CD1-CD1 3.55Å; W222-F224 AromaticContact CD1-CE1 3.41Å; W222-F224 VanDerWaalsContact CD1-CE1 3.41Å; W222-F224 AromaticContact CD1-CG 3.95Å; W222-F224 AromaticContact CD1-CZ 3.68Å; W222-F224 HydrophobicContact CG-CE1 4.14Å; W222-F224 HydrophobicContact CG-CE2 4.34Å; W222-F224 HydrophobicContact CG-CZ 4.01Å; W222-F224 WeakPolarHBondContact O-CD2 3.44Å; W222-F224 WeakPolarHBondContact O-CE2 3.12Å; W222-F224 PolarHBondContact O-N 3.38Å; W222-A229 WeakPolarHBondContact CZ2-O 3.03Å; W222-Y235 VanDerWaalsContact CH2-OH 3.28Å; W222-Y235 WeakPolarHBondContact CH2-OH 3.2Å; W222-Y235 WeakPolarHBondContact CZ3-OH 3.45Å
223D82.2Confident84.6Confident88 Ų8858.8 Ų58.847%0.47132%0.315SS..  trans-76.4107.6171.8-166.4-16.2000109.7K225 D226 A229D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 WeakPolarHBondContact OD1-CA 3.22Å; D223-K225 WeakPolarHBondContact OD1-CB 3.13Å; D223-K225 PolarHBondContact OD1-N 2.83Å; D223-D226 HydrophobicContact CB-CB 4.14Å; D223-D226 PolarHBondContact OD1-N 3.18Å; D223-A229 HydrophobicContact CB-CB 4.48Å; D223-A229 WeakPolarHBondContact O-CB 3.46Å
224F82.6Confident84.7Confident31 Ų3163 Ų6314%0.13633%0.331CS..SBendtrans-82-10.2175.6-64.8-78.3000113.4I118 Y120 L127 L191 L219 W222 Q230I118-F224 HydrophobicContact CG2-CE1 4.11Å; Y120-F224 VanDerWaalsContact CB-CD1 3.47Å; L127-F224 HydrophobicContact CD1-CE1 3.51Å; L127-F224 HydrophobicContact CD1-CZ 3.89Å; L191-F224 HydrophobicContact CB-CE2 4.29Å; L191-F224 HydrophobicContact CD1-CD2 4.11Å; L191-F224 HydrophobicContact CD1-CE2 3.8Å; L191-F224 HydrophobicContact CD1-CZ 4.09Å; L191-F224 HydrophobicContact CD2-CZ 4.47Å; L219-F224 HydrophobicContact CB-CZ 4.41Å; L219-F224 HydrophobicContact CD2-CZ 4.36Å; W222-F224 HydrophobicContact CB-CE2 3.91Å; W222-F224 HydrophobicContact CB-CZ 3.92Å; W222-F224 AromaticContact CD1-CD1 3.55Å; W222-F224 AromaticContact CD1-CE1 3.41Å; W222-F224 VanDerWaalsContact CD1-CE1 3.41Å; W222-F224 AromaticContact CD1-CG 3.95Å; W222-F224 AromaticContact CD1-CZ 3.68Å; W222-F224 HydrophobicContact CG-CE1 4.14Å; W222-F224 HydrophobicContact CG-CE2 4.34Å; W222-F224 HydrophobicContact CG-CZ 4.01Å; W222-F224 WeakPolarHBondContact O-CD2 3.44Å; W222-F224 WeakPolarHBondContact O-CE2 3.12Å; W222-F224 PolarHBondContact O-N 3.38Å; F224-Q230 PolarHBondContact O-NE2 2.75Å
225K76.2Confident84.7Confident196 Ų19664 Ų6485%0.85233%0.334SS*.SBendtrans-90.6-33.3177.9-59.9-179.2179.7177.90112.2D223 S227D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 WeakPolarHBondContact OD1-CA 3.22Å; D223-K225 WeakPolarHBondContact OD1-CB 3.13Å; D223-K225 PolarHBondContact OD1-N 2.83Å; K225-S227 PolarHBondContact O-N 3.34Å
226D75.2Confident84.7Confident50 Ų5066.6 Ų66.627%0.26735%0.351SS..  trans-68.2122.3175.4174.731.6000111.9D223 T228 A229 Q230D223-D226 HydrophobicContact CB-CB 4.14Å; D223-D226 PolarHBondContact OD1-N 3.18Å; D226-T228 VanDerWaalsContact C-N 3.26Å; D226-T228 VanDerWaalsContact CG-N 3.28Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 WeakPolarHBondContact OD1-CG2 2.99Å; D226-T228 PolarHBondContact OD1-N 3.22Å; D226-T228 WeakPolarHBondContact OD2-CB 3.21Å; D226-T228 PolarHBondContact OD2-N 3.4Å; D226-T228 PolarHBondContact OD2-OG1 3.44Å; D226-A229 HydrophobicContact CB-CB 4Å; D226-A229 PolarHBondContact O-N 3.28Å; D226-A229 PolarHBondContact OD2-N 3.05Å; D226-Q230 PolarHBondContact O-N 3.23Å
227S68.5Low84.9Confident88 Ų8864.9 Ų64.962%0.61534%0.343SS*.THydrogen-bonded Turntrans-62.7-27.7171.9440000113.7K225 Q230K225-S227 PolarHBondContact O-N 3.34Å; S227-Q230 PolarHBondContact O-N 2.81Å
228T69.3Low84.9Confident75 Ų7571.9 Ų71.946%0.4637%0.367SS..THydrogen-bonded Turntrans-79.3-30.2179.490.50000112.5D226 Q230 N231 R233D226-T228 VanDerWaalsContact C-N 3.26Å; D226-T228 VanDerWaalsContact CG-N 3.28Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 WeakPolarHBondContact OD1-CG2 2.99Å; D226-T228 PolarHBondContact OD1-N 3.22Å; D226-T228 WeakPolarHBondContact OD2-CB 3.21Å; D226-T228 PolarHBondContact OD2-N 3.4Å; D226-T228 PolarHBondContact OD2-OG1 3.44Å; T228-Q230 VanDerWaalsContact C-N 3.26Å; T228-N231 WeakPolarHBondContact O-CB 3.49Å; T228-N231 PolarHBondContact O-N 2.8Å; T228-R233 VanDerWaalsContact C-NH2 3.28Å; T228-R233 PolarHBondContact O-NH2 2.7Å
229A65.6Low84.8Confident7 Ų772.8 Ų72.86%0.05838%0.379CS..THydrogen-bonded Turntrans-62.7-34.2168.100000111.5W222 D223 D226 N231W222-A229 WeakPolarHBondContact CZ2-O 3.03Å; D223-A229 HydrophobicContact CB-CB 4.48Å; D223-A229 WeakPolarHBondContact O-CB 3.46Å; D226-A229 HydrophobicContact CB-CB 4Å; D226-A229 PolarHBondContact O-N 3.28Å; D226-A229 PolarHBondContact OD2-N 3.05Å; A229-N231 VanDerWaalsContact C-N 3.29Å; A229-N231 PolarHBondContact O-N 3.1Å
230Q71.1Confident84.3Confident55 Ų5576.7 Ų76.726%0.25740%0.396SS..THydrogen-bonded Turntrans-75.3-6.6175.6-69.5-168.140.400115H119 F224 D226 S227 T228H119-Q230 PolarHBondContact CE1-O 2.79Å; H119-Q230 PolarHBondContact ND1-OE1 3.02Å; F224-Q230 PolarHBondContact O-NE2 2.75Å; D226-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 PolarHBondContact O-N 2.81Å; T228-Q230 VanDerWaalsContact C-N 3.26Å
231N85Confident83.3Confident100 Ų10077 Ų7754%0.53540%0.399SS..SBendtrans-70.1153.2173.4-74.5-29.7000111.7T228 A229T228-N231 WeakPolarHBondContact O-CB 3.49Å; T228-N231 PolarHBondContact O-N 2.8Å; A229-N231 VanDerWaalsContact C-N 3.29Å; A229-N231 PolarHBondContact O-N 3.1Å
232A91.8Very high81.9Confident40 Ų4075.7 Ų75.733%0.33139%0.391SS..  trans-64.5135.2172.500000110.6E115 F116 A117 K132E115-A232 HydrophobicContact CG-CB 4.06Å; F116-A232 WeakPolarHBondContact O-CA 3.45Å; A117-A232 HydrophobicContact CB-CB 4.23Å; K132-A232 HydrophobicContact CG-CB 4.02Å
233R93.8Very high80.2Confident102 Ų10282.1 Ų82.139%0.38542%0.42SS..EExtended strand (participates in β ladder)trans-132.7145-176.5-68.3173.3-176.9-155.1-5.7110.2E115 F116 T228 Y235E115-R233 WeakPolarHBondContact CA-O 3.22Å; F116-R233 PolarHBondContact N-O 3.39Å; F116-R233 VanDerWaalsContact N-O 3.12Å; F116-R233 PolarHBondContact O-N 3.32Å; T228-R233 VanDerWaalsContact C-NH2 3.28Å; T228-R233 PolarHBondContact O-NH2 2.7Å; R233-Y235 HydrophobicContact CB-CE2 3.7Å; R233-Y235 VanDerWaalsContact O-CD2 3.27Å; R233-Y235 WeakPolarHBondContact O-CD2 3.38Å; R233-Y235 WeakPolarHBondContact O-CE2 3.4Å
234W97.1Very high78.4Confident90 Ų9086.9 Ų86.934%0.34143%0.432SS..EExtended strand (participates in β ladder)trans-82.1137.2173.5-7488.6000111E113 I114 E115 T133 K135E113-W234 HydrophobicContact CB-CE3 3.59Å; E113-W234 HydrophobicContact CB-CZ3 4.04Å; I114-W234 WeakPolarHBondContact O-CA 3.49Å; E115-W234 HydrophobicContact CB-CD2 3.76Å; E115-W234 HydrophobicContact CB-CE3 3.91Å; E115-W234 HydrophobicContact CB-CG 4.34Å; E115-W234 HydrophobicContact CB-CH2 4.04Å; E115-W234 HydrophobicContact CB-CZ2 3.83Å; E115-W234 HydrophobicContact CB-CZ3 4.04Å; E115-W234 HydrophobicContact CG-CD2 4.24Å; E115-W234 HydrophobicContact CG-CG 4.4Å; E115-W234 HydrophobicContact CG-CZ2 4.39Å; E115-W234 PolarHBondContact OE1-NE1 2.91Å; T133-W234 HydrophobicContact CG2-CH2 3.58Å; T133-W234 HydrophobicContact CG2-CZ2 3.8Å; K135-W234 HydrophobicContact CB-CH2 4.01Å; K135-W234 HydrophobicContact CB-CZ3 4.11Å; K135-W234 HydrophobicContact CD-CE3 4.08Å; K135-W234 HydrophobicContact CD-CH2 3.53Å; K135-W234 HydrophobicContact CD-CZ2 4.11Å; K135-W234 HydrophobicContact CD-CZ3 3.54Å; K135-W234 HydrophobicContact CG-CE3 4.34Å; K135-W234 HydrophobicContact CG-CH2 3.78Å; K135-W234 HydrophobicContact CG-CZ3 3.53Å
235Y97.1Very high76.7Confident35 Ų3587.6 Ų87.614%0.13744%0.436CS..EExtended strand (participates in β ladder)trans-130.2126.6176.8-65.2-86.9000110.1E113 I114 F116 V215 L217 W222 R233 L237E113-Y235 VanDerWaalsContact CA-O 3.3Å; E113-Y235 WeakPolarHBondContact CA-O 3.45Å; I114-Y235 PolarHBondContact N-O 2.99Å; I114-Y235 PolarHBondContact O-N 3.32Å; F116-Y235 AromaticContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CE2 4.22Å; F116-Y235 AromaticContact CE1-CD2 3.29Å; F116-Y235 HydrophobicContact CE1-CD2 3.29Å; F116-Y235 AromaticContact CE1-CE2 3.82Å; F116-Y235 HydrophobicContact CE1-CE2 3.82Å; F116-Y235 AromaticContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE2-CD2 4.5Å; F116-Y235 HydrophobicContact CE2-CE2 4.21Å; F116-Y235 AromaticContact CZ-CD2 3.71Å; F116-Y235 HydrophobicContact CZ-CD2 3.71Å; F116-Y235 AromaticContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CG 4.31Å; V215-Y235 HydrophobicContact CG1-CD1 3.93Å; V215-Y235 HydrophobicContact CG1-CG 4.01Å; L217-Y235 HydrophobicContact CD1-CE1 4.05Å; L217-Y235 HydrophobicContact CD2-CD1 4.33Å; L217-Y235 HydrophobicContact CD2-CE1 3.93Å; W222-Y235 VanDerWaalsContact CH2-OH 3.28Å; W222-Y235 WeakPolarHBondContact CH2-OH 3.2Å; W222-Y235 WeakPolarHBondContact CZ3-OH 3.45Å; R233-Y235 HydrophobicContact CB-CE2 3.7Å; R233-Y235 VanDerWaalsContact O-CD2 3.27Å; R233-Y235 WeakPolarHBondContact O-CD2 3.38Å; R233-Y235 WeakPolarHBondContact O-CE2 3.4Å; Y235-L237 PolarHBondContact O-N 3.26Å
236P97.5Very high75.1Confident67 Ų6786.2 Ų86.244%0.43543%0.433SS..EExtended strand (participates in β ladder)trans-69.7131.6175.628.2-34.3000110.5
237L97.7Very high73.5Confident15 Ų1589.4 Ų89.48%0.07945%0.45CS..  trans-73137.3179.8-66.3172.4000110.6V110 G112 I114 L137 V200 V215 Y235V110-L237 HydrophobicContact CG1-CB 3.88Å; V110-L237 WeakPolarHBondContact CG1-O 3.29Å; G112-L237 WeakPolarHBondContact O-CB 3.25Å; G112-L237 PolarHBondContact O-N 3.01Å; I114-L237 HydrophobicContact CB-CD2 4.15Å; I114-L237 HydrophobicContact CG2-CD2 3.65Å; I114-L237 HydrophobicContact CG2-CG 4.41Å; L137-L237 HydrophobicContact CD2-CD1 3.3Å; V200-L237 HydrophobicContact CB-CD1 4.35Å; V200-L237 HydrophobicContact CG2-CD1 3.91Å; V200-L237 HydrophobicContact CG2-CD2 3.63Å; V200-L237 HydrophobicContact CG2-CG 4.46Å; V215-L237 HydrophobicContact CG2-CD2 4.11Å; Y235-L237 PolarHBondContact O-N 3.26Å
238R94.6Very high72.6Confident174 Ų17489 Ų8966%0.65744%0.44SS*.BIsolated β-bridgetrans-116.2148.3-179.2-60.1-176.2-179-173.2-1.6111.4G213 E214G213-R238 CarbonylContact C-O 3.49Å; G213-R238 WeakPolarHBondContact CA-O 3.17Å; E214-R238 PolarHBondContact N-O 2.92Å; E214-R238 PolarHBondContact O-N 2.76Å
239A90.8Very high71.7Confident71 Ų7189.4 Ų89.459%0.58744%0.444SS*.  trans-60.4146.8165.800000110.1V110 A241V110-A239 HydrophobicContact CG2-CB 4.31Å; A239-A241 PolarHBondContact O-N 2.74Å
240K82.1Confident71.5Confident81 Ų8193.1 Ų93.135%0.35246%0.46SS..  trans-62125.2176.9-172.3174.2-165-177.80108.8E101 F211 E214 E242E101-K240 IonicContact OE1-NZ 3.41Å; E101-K240 PolarHBondContact OE1-NZ 2.79Å; F211-K240 HydrophobicContact CE1-CB 3.96Å; F211-K240 HydrophobicContact CZ-CB 3.97Å; E214-K240 WeakPolarHBondContact OE1-CG 3.45Å; K240-E242 PolarHBondContact O-N 3.26Å
241A65.6Low71.6Confident65 Ų6593.2 Ų93.254%0.53746%0.462SS..  trans-68.9102.8-178.800000110.3A239 K243A239-A241 PolarHBondContact O-N 2.74Å; A241-K243 PolarHBondContact O-N 3.37Å
242E52.4Low71.5Confident128 Ų12889.3 Ų89.360%0.59844%0.441SS*.THydrogen-bonded Turntrans-62127.2176.5-67.2-166.5-173.900110.8K240 Y244K240-E242 PolarHBondContact O-N 3.26Å; E242-Y244 PolarHBondContact O-N 2.92Å
243K48.1Very low71.3Confident167 Ų16787.4 Ų87.473%0.72643%0.425SS*.THydrogen-bonded Turntrans72.53.3161.8-54.6160.2-168.6163.40118.6A241A241-K243 PolarHBondContact O-N 3.37Å
244Y44.1Very low71.2Confident188 Ų18884.6 Ų84.674%0.73742%0.417SS*.THydrogen-bonded Turntrans-100.4-25178.1-86.3-87.1000116.3E242 E246E242-Y244 PolarHBondContact O-N 2.92Å; Y244-E246 VanDerWaalsContact C-N 3.29Å; Y244-E246 PolarHBondContact O-N 2.88Å
245E46.1Very low71.1Confident45 Ų4580.3 Ų80.321%0.2140%0.4CS..G310 helixtrans-68.1-18.7-175.3-84.4-89.3120.100115.1R159 R195 N247R159-E245 IonicContact NH2-OE2 3.26Å; R159-E245 PolarHBondContact NH2-OE2 2.92Å; R195-E245 IonicContact CZ-OE1 3.96Å; R195-E245 IonicContact CZ-OE2 2.75Å; R195-E245 IonicContact NH1-OE1 2.71Å; R195-E245 PolarHBondContact NH1-OE1 3.19Å; R195-E245 IonicContact NH1-OE2 3.79Å; R195-E245 VanDerWaalsContact NH2-CD 3.35Å; R195-E245 IonicContact NH2-OE1 3.62Å; R195-E245 PolarHBondContact NH2-OE1 2.64Å; R195-E245 IonicContact NH2-OE2 2.74Å; R195-E245 PolarHBondContact NH2-OE2 2.95Å; E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 2.77Å
246E43.3Very low71Confident168 Ų16880.2 Ų80.279%0.78541%0.407SS*.G310 helixtrans-77.3-15-175.9-65.1-177.316000113.6Y244Y244-E246 VanDerWaalsContact C-N 3.29Å; Y244-E246 PolarHBondContact O-N 2.88Å
247N41Very low70.9Confident116 Ų11677 Ų7762%0.6239%0.386SS*.G310 helixtrans-94.7-0.3-178.3-68.2-64.5000114.3E245 P249E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 2.77Å; N247-P249 WeakPolarHBondContact O-CD 3.27Å
248I50.2Low70.8Confident81 Ų8180.9 Ų80.942%0.41540%0.4SS..SBendtrans-81.2117.8169.2-57176.7000107.2Q250I248-Q250 PolarHBondContact O-N 2.8Å
249P51.2Low70.9Confident82 Ų8272.7 Ų72.753%0.53237%0.369SS..  trans-62.2108.6178.725.2-33.3000109.4N247 N251N247-P249 WeakPolarHBondContact O-CD 3.27Å; P249-N251 PolarHBondContact O-N 2.89Å
250Q61.1Low71Confident86 Ų8671.5 Ų71.540%0.40235%0.351SS..  trans-67.1133.6-178.2-58.7-171.218.800108.7I248 H412I248-Q250 PolarHBondContact O-N 2.8Å; Q250-H412 WeakPolarHBondContact O-CA 3.49Å; Q250-H412 PolarHBondContact O-ND1 3.35Å
251N73.5Confident71.5Confident57 Ų5767.7 Ų67.731%0.30533%0.334SS..  trans-105.394.9172.9-172.4-22.8000108.4R194 P249 G253R194-N251 PolarHBondContact NH1-O 3.12Å; P249-N251 PolarHBondContact O-N 2.89Å; N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 WeakPolarHBondContact OD1-CA 3.43Å; N251-G253 PolarHBondContact OD1-N 3.15Å; N251-G253 PolarHBondContact OD1-O 3.08Å
252N83.2Confident72.8Confident17 Ų1766.3 Ų66.39%0.09132%0.319CS..  trans-83.810.4177.9-80.3-25.4000112.9P157 P295 L369 L411 H412P157-N252 WeakPolarHBondContact CB-OD1 2.99Å; P157-N252 WeakPolarHBondContact CG-OD1 3.3Å; N252-P295 WeakPolarHBondContact O-CD 3.2Å; N252-L369 WeakPolarHBondContact CB-O 3.41Å; N252-L369 VanDerWaalsContact CG-O 3.25Å; N252-L369 PolarHBondContact ND2-O 2.82Å; N252-L411 HydrophobicContact CB-CB 3.95Å; N252-L411 PolarHBondContact N-O 2.93Å; N252-H412 PolarHBondContact ND2-O 2.88Å; N252-H412 PolarHBondContact ND2-OXT 3.42Å
253G87.4Confident74.4Confident0 Ų062 Ų620%030%0.3CS..  trans115.2-167.2178.600000112.6N251 K292 N293 L411N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 WeakPolarHBondContact OD1-CA 3.43Å; N251-G253 PolarHBondContact OD1-N 3.15Å; N251-G253 PolarHBondContact OD1-O 3.08Å; G253-K292 WeakPolarHBondContact CA-O 3.28Å; G253-N293 WeakPolarHBondContact CA-O 3.48Å; G253-L411 WeakPolarHBondContact O-CB 3.42Å; G253-L411 PolarHBondContact O-N 2.88Å
254E91.5Very high76Confident43 Ų4357.1 Ų57.120%0.20129%0.285CS..EExtended strand (participates in β ladder)trans-129.5132.9-178.4-67163.2-95.700110.6A291 K292 N293 T408 L409E254-A291 CarbonylContact O-C 3.52Å; E254-A291 WeakPolarHBondContact O-CA 3.15Å; E254-A291 WeakPolarHBondContact O-CB 3.37Å; E254-K292 HydrophobicContact CB-CG 3.96Å; E254-K292 PolarHBondContact N-O 3.34Å; E254-K292 PolarHBondContact O-N 3.32Å; E254-K292 WeakPolarHBondContact OE1-CE 3.42Å; E254-K292 IonicContact OE1-NZ 2.68Å; E254-K292 PolarHBondContact OE1-NZ 2.94Å; E254-K292 VanDerWaalsContact OE2-CE 3.25Å; E254-K292 WeakPolarHBondContact OE2-CE 3.35Å; E254-K292 IonicContact OE2-NZ 2.65Å; E254-K292 PolarHBondContact OE2-NZ 3.33Å; E254-N293 PolarHBondContact OE1-ND2 2.9Å; E254-T408 HydrophobicContact CB-CG2 3.93Å; E254-T408 HydrophobicContact CG-CG2 4.27Å; E254-L409 CarbonylContact C-O 3.51Å; E254-L409 VanDerWaalsContact CA-O 3.3Å; E254-L409 WeakPolarHBondContact CA-O 3.11Å
255L94.6Very high77.1Confident0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-107.6117.9176.3-175.268.4000109.6V257 V288 A291 V306 W333 L354 V356 L409 L411L255-V257 HydrophobicContact CD2-CG1 4.08Å; L255-V257 HydrophobicContact CG-CG1 3.91Å; L255-V288 HydrophobicContact CD1-CG1 3.96Å; L255-A291 HydrophobicContact CD1-CB 3.98Å; L255-V306 HydrophobicContact CD1-CG2 4.23Å; L255-V306 HydrophobicContact CD2-CG1 4.49Å; L255-W333 HydrophobicContact CD1-CZ3 3.78Å; L255-L354 HydrophobicContact CD2-CB 4.11Å; L255-L354 HydrophobicContact CD2-CD1 4.3Å; L255-V356 HydrophobicContact CD1-CG2 4.03Å; L255-V356 HydrophobicContact CD2-CG2 4.14Å; L255-L409 HydrophobicContact CB-CB 4.44Å; L255-L409 PolarHBondContact N-O 2.85Å; L255-L409 PolarHBondContact O-N 3.27Å; L255-L411 HydrophobicContact CB-CD1 4.28Å; L255-L411 HydrophobicContact CB-CD2 4.02Å; L255-L411 HydrophobicContact CB-CG 4.2Å; L255-L411 HydrophobicContact CD2-CD2 4.45Å
256A95.3Very high77.9Confident33 Ų3352.2 Ų52.227%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-88.9124.8175.900000110.3L289 G290A256-L289 HydrophobicContact CB-CB 4.22Å; A256-L289 HydrophobicContact CB-CD1 4.39Å; A256-L289 WeakPolarHBondContact O-CB 3.47Å; A256-L289 PolarHBondContact O-N 2.62Å; A256-G290 PolarHBondContact N-O 3.32Å
257V96.1Very high78.3Confident1 Ų150 Ų501%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-137.4157.6-179.3-54.10000111.9L255 L286 V287 L354 M407 L409L255-V257 HydrophobicContact CD2-CG1 4.08Å; L255-V257 HydrophobicContact CG-CG1 3.91Å; V257-L286 HydrophobicContact CB-CD1 3.98Å; V257-L286 HydrophobicContact CG2-CD1 4.1Å; V257-V287 CarbonylContact C-O 3.39Å; V257-V287 VanDerWaalsContact CA-O 3.32Å; V257-V287 WeakPolarHBondContact CA-O 3.37Å; V257-L354 HydrophobicContact CG1-CD1 4.29Å; V257-M407 HydrophobicContact CG2-CB 3.97Å; V257-M407 HydrophobicContact CG2-CE 3.69Å; V257-M407 PolarHBondContact N-O 2.93Å; V257-M407 PolarHBondContact O-N 2.99Å; V257-L409 HydrophobicContact CG1-CD1 4.33Å; V257-L409 HydrophobicContact CG2-CD1 3.93Å; V257-L409 HydrophobicContact CG2-CG 4.17Å
258R95.4Very high78.8Confident95 Ų9556.2 Ų56.236%0.35831%0.311SS..EExtended strand (participates in β ladder)trans-129.7123175.5162.1176.7-68.2178.90.9108.7L286 V287 L289 W404 T405 D406R258-L286 CarbonylContact O-C 3.59Å; R258-L286 WeakPolarHBondContact O-CA 3.05Å; R258-V287 HydrophobicContact CB-CB 4.33Å; R258-V287 PolarHBondContact N-O 3.42Å; R258-V287 PolarHBondContact O-N 2.81Å; R258-L289 HydrophobicContact CB-CD1 4.37Å; R258-W404 HydrophobicContact CG-CB 4.15Å; R258-W404 HydrophobicContact CG-CD2 3.87Å; R258-W404 HydrophobicContact CG-CE3 3.35Å; R258-W404 HydrophobicContact CG-CG 4.25Å; R258-W404 HydrophobicContact CG-CZ3 3.96Å; R258-T405 WeakPolarHBondContact CA-O 3.21Å; R258-D406 WeakPolarHBondContact CB-OD1 3.26Å; R258-D406 VanDerWaalsContact CG-OD1 3.29Å; R258-D406 WeakPolarHBondContact CG-OD1 3.48Å; R258-D406 IonicContact CZ-OD1 3.47Å; R258-D406 IonicContact CZ-OD2 3.55Å; R258-D406 IonicContact NE-OD1 2.69Å; R258-D406 PolarHBondContact NE-OD1 3.49Å; R258-D406 IonicContact NE-OD2 3.53Å; R258-D406 IonicContact NH2-OD1 3.4Å; R258-D406 PolarHBondContact NH2-OD1 2.98Å; R258-D406 IonicContact NH2-OD2 2.72Å; R258-D406 PolarHBondContact NH2-OD2 2.86Å
259A95.4Very high78.5Confident2 Ų260 Ų602%0.01732%0.324CS..EExtended strand (participates in β ladder)trans-120.9148.8-174.900000112.5C285 L286 V397 T405 M407A259-C285 CarbonylContact C-O 3.52Å; A259-C285 WeakPolarHBondContact CA-O 3.34Å; A259-L286 HydrophobicContact CB-CD1 3.77Å; A259-V397 HydrophobicContact CB-CG1 3.86Å; A259-V397 HydrophobicContact CB-CG2 3.73Å; A259-T405 PolarHBondContact N-O 3.28Å; A259-T405 PolarHBondContact O-N 3.01Å; A259-M407 HydrophobicContact CB-CE 3.56Å
260K94Very high78.1Confident47 Ų4762.4 Ų62.420%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-148.5126.2176.8165.6163.4163.9156.50110.1V262 C285 N402 L403 W404K260-V262 HydrophobicContact CD-CG2 4.44Å; K260-V262 HydrophobicContact CG-CG2 4.05Å; K260-C285 PolarHBondContact N-O 3.41Å; K260-C285 PolarHBondContact O-N 2.83Å; K260-N402 WeakPolarHBondContact CE-O 3.47Å; K260-N402 PolarHBondContact NZ-O 2.84Å; K260-L403 WeakPolarHBondContact CA-O 3.17Å; K260-L403 WeakPolarHBondContact CB-O 3.45Å; K260-L403 VanDerWaalsContact CG-O 3.25Å; K260-L403 WeakPolarHBondContact CG-O 3.42Å; K260-W404 HydrophobicContact CB-CD2 3.7Å; K260-W404 HydrophobicContact CB-CE3 3.25Å; K260-W404 HydrophobicContact CB-CG 4.4Å; K260-W404 HydrophobicContact CB-CH2 4.2Å; K260-W404 HydrophobicContact CB-CZ3 3.54Å; K260-W404 HydrophobicContact CD-CD2 3.84Å; K260-W404 HydrophobicContact CD-CE3 4.26Å; K260-W404 HydrophobicContact CD-CG 4.18Å; K260-W404 HydrophobicContact CD-CZ2 4.24Å; K260-W404 HydrophobicContact CG-CD2 4.44Å; K260-W404 HydrophobicContact CG-CE3 4.38Å
261L92.9Very high77.1Confident1 Ų166.1 Ų66.11%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-86.1107.6166175.152.7000108.8L263 L347 L398 N402L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD2-CD2 4.17Å; L261-L263 HydrophobicContact CD2-CG 4.45Å; L261-L263 HydrophobicContact CG-CD2 3.9Å; L261-L263 HydrophobicContact CG-CG 4.07Å; L261-L347 HydrophobicContact CD1-CD1 3.52Å; L261-L347 HydrophobicContact CD2-CD1 4.04Å; L261-L347 HydrophobicContact CG-CD1 4.36Å; L261-L398 HydrophobicContact CD2-CD2 3.88Å; L261-N402 PolarHBondContact O-N 2.65Å
262V91.8Very high75.5Confident36 Ų3672.9 Ų72.922%0.21839%0.387CS..EExtended strand (participates in β ladder)trans-81123.1170.6-173.20000108.4K260 G282 Q283 N402K260-V262 HydrophobicContact CD-CG2 4.44Å; K260-V262 HydrophobicContact CG-CG2 4.05Å; V262-G282 CarbonylContact O-C 3.54Å; V262-G282 WeakPolarHBondContact O-CA 3.48Å; V262-Q283 HydrophobicContact CB-CB 4.21Å; V262-Q283 PolarHBondContact N-O 3.13Å; V262-Q283 PolarHBondContact O-N 2.69Å; V262-N402 WeakPolarHBondContact CA-OD1 3.38Å
263L87.3Confident73.4Confident37 Ų3776.6 Ų76.619%0.19442%0.42CS..  trans-114.8135169.7-61.6-179.3000108.9L261 A265 P401 N402L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD2-CD2 4.17Å; L261-L263 HydrophobicContact CD2-CG 4.45Å; L261-L263 HydrophobicContact CG-CD2 3.9Å; L261-L263 HydrophobicContact CG-CG 4.07Å; L263-A265 PolarHBondContact O-N 2.71Å; L263-P401 HydrophobicContact CD1-CB 3.74Å; L263-P401 HydrophobicContact CD1-CG 4.39Å; L263-P401 HydrophobicContact CG-CB 4.12Å; L263-N402 PolarHBondContact N-OD1 3.31Å; L263-N402 VanDerWaalsContact N-OD1 3.12Å; L263-N402 PolarHBondContact O-ND2 2.78Å
264P80.9Confident71Confident64 Ų6485.5 Ų85.542%0.41646%0.462SS..PPolyproline II helixtrans-58.8134.3173.826.4-34.2000109.5G266 L280P264-G266 PolarHBondContact O-N 2.72Å; P264-L280 HydrophobicContact CG-CB 4.27Å; P264-L280 HydrophobicContact CG-CD2 4.28Å
265A66.9Low68.1Low90 Ų9093.5 Ų93.574%0.74450%0.499SS*.PPolyproline II helixtrans-63.5127.1172.200000108.7L263L263-A265 PolarHBondContact O-N 2.71Å
266G63.1Low65.3Low41 Ų4195.9 Ų95.942%0.42352%0.524SS..PPolyproline II helixtrans-59.5158.1-179.700000112.7P264 R268P264-G266 PolarHBondContact O-N 2.72Å; G266-R268 PolarHBondContact O-N 2.99Å
267P52.8Low62.5Low121 Ų121104 Ų10479%0.78656%0.556SS**PPolyproline II helixtrans-56.8126.7-179.723.9-33.6000110.6K269P267-K269 PolarHBondContact O-N 3.12Å
268R50.8Low60Low247 Ų247111.7 Ų111.793%0.93260%0.596SS**SBendtrans-7420.1-177.3-67.6-179.3173.2168.5-3.7114G266G266-R268 PolarHBondContact O-N 2.99Å
269K43.4Very low58Low159 Ų159109.8 Ų109.869%0.69160%0.601SS**SBendtrans-141.2123.5177.6-71.8-171174.7-173.70109.3P267 Q271P267-K269 PolarHBondContact O-N 3.12Å; K269-Q271 VanDerWaalsContact C-N 3.27Å; K269-Q271 PolarHBondContact O-N 3.22Å; K269-Q271 VanDerWaalsContact O-N 3.07Å
270P42.2Very low56.5Low134 Ų134114.4 Ų114.487%0.8763%0.625SS**SBendtrans-84.867.3176.935.1-34.7000111
271Q40.4Very low55.9Low164 Ų164117.1 Ų117.177%0.76664%0.642SS**SBendtrans-146.8147171.9-96.4151.913.600107.5K269K269-Q271 VanDerWaalsContact C-N 3.27Å; K269-Q271 PolarHBondContact O-N 3.22Å; K269-Q271 VanDerWaalsContact O-N 3.07Å
272E39.9Very low55.6Low199 Ų199117.1 Ų117.193%0.9364%0.642SS**  trans63.731.5-174.4-56.2-174.6165.400116Q274E272-Q274 PolarHBondContact O-N 3.47Å
273A38.7Very low55.6Low95 Ų95119.2 Ų119.279%0.78565%0.649SS**  trans-82.781.7159.500000109.9
274Q38Very low55.9Low187 Ų187117.5 Ų117.587%0.87464%0.64SS**  trans-66.1139.2173.5-154.6172.559.100109.8E272 G276E272-Q274 PolarHBondContact O-N 3.47Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.05Å
275E31.2Very low56.6Low210 Ų210115.5 Ų115.598%0.98163%0.627SS**SBendtrans-71.779.5-170.6-67.6-172.5113.500113.2
276G35.1Very low57.9Low51 Ų51111.3 Ų111.353%0.52659%0.592SS.*SBendtrans-145.8133.2172.900000110.1Q274 L278Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.05Å; G276-L278 PolarHBondContact O-N 3.17Å
277Q37.1Very low59.6Low203 Ų203110.3 Ų110.395%0.94958%0.578SS**  trans-74.170.9-174-66.1180-4.400112.4A279Q277-A279 VanDerWaalsContact C-N 3.27Å; Q277-A279 PolarHBondContact O-N 2.83Å
278L42Very low61.6Low162 Ų162104.6 Ų104.685%0.84854%0.541SS*.  trans-66.486.3169.2-75.7169.8000109.6G276 L280G276-L278 PolarHBondContact O-N 3.17Å; L278-L280 PolarHBondContact O-N 3.44Å
279A54.6Low63.8Low55 Ų5595.5 Ų95.546%0.45551%0.51SS..  trans-56.2108.9173.800000109.3Q277 N281Q277-A279 VanDerWaalsContact C-N 3.27Å; Q277-A279 PolarHBondContact O-N 2.83Å; A279-N281 PolarHBondContact O-N 2.85Å
280L64Low66.2Low99 Ų9988.4 Ų88.452%0.51848%0.482SS..  trans-57.4105-175.9-69.5174.1000110.3P264 L278 G282P264-L280 HydrophobicContact CG-CB 4.27Å; P264-L280 HydrophobicContact CG-CD2 4.28Å; L278-L280 PolarHBondContact O-N 3.44Å; L280-G282 PolarHBondContact O-N 3.37Å; L280-G282 VanDerWaalsContact O-N 3.16Å
281N80.3Confident68.7Low105 Ų10582.4 Ų82.456%0.56145%0.445SS*.EExtended strand (participates in β ladder)trans-69.6108.6-179.5-78.5-29.8000109.3A279A279-N281 PolarHBondContact O-N 2.85Å
282G86.9Confident71.1Confident1 Ų179.2 Ų79.21%0.0143%0.428CS..EExtended strand (participates in β ladder)trans-93.5-174.7176.900000113V262 L280 G341 V342V262-G282 CarbonylContact O-C 3.54Å; V262-G282 WeakPolarHBondContact O-CA 3.48Å; L280-G282 PolarHBondContact O-N 3.37Å; L280-G282 VanDerWaalsContact O-N 3.16Å; G282-G341 PolarHBondContact O-N 3.45Å; G282-V342 CarbonylContact C-O 3.58Å; G282-V342 WeakPolarHBondContact CA-O 3.34Å; G282-V342 PolarHBondContact N-O 3.26Å; G282-V342 PolarHBondContact O-N 3.38Å; G282-V342 VanDerWaalsContact O-N 3.15Å
283Q92Very high73.3Confident80 Ų8071.5 Ų71.537%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-126.2128.9170.7-51.8174.3-73.700108.8V262 V338 F339 N340V262-Q283 HydrophobicContact CB-CB 4.21Å; V262-Q283 PolarHBondContact N-O 3.13Å; V262-Q283 PolarHBondContact O-N 2.69Å; Q283-V338 HydrophobicContact CB-CG1 4.12Å; Q283-F339 CarbonylContact C-O 3.58Å; Q283-F339 VanDerWaalsContact CA-O 3.3Å; Q283-F339 WeakPolarHBondContact CA-O 3.45Å; Q283-N340 PolarHBondContact NE2-OD1 3.36Å
284L93.9Very high75.6Confident1 Ų167 Ų671%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-91.5107.5168.3178.367.1000108.7L310 V338 F339 V342 L347 W394 V397L284-L310 HydrophobicContact CD2-CD2 4.3Å; L284-V338 WeakPolarHBondContact O-CA 3.41Å; L284-F339 HydrophobicContact CB-CB 4.29Å; L284-F339 HydrophobicContact CB-CD2 4.24Å; L284-F339 HydrophobicContact CD2-CD2 4Å; L284-F339 HydrophobicContact CD2-CE2 4.5Å; L284-F339 HydrophobicContact CG-CD2 4.24Å; L284-F339 PolarHBondContact N-O 2.88Å; L284-F339 PolarHBondContact O-N 2.84Å; L284-V342 HydrophobicContact CB-CG2 4.11Å; L284-L347 HydrophobicContact CB-CD1 4.47Å; L284-L347 HydrophobicContact CD2-CD2 4.16Å; L284-W394 HydrophobicContact CD2-CH2 3.64Å; L284-W394 HydrophobicContact CD2-CZ3 4.07Å; L284-V397 HydrophobicContact CD1-CG1 4.09Å
285C94.8Very high77.9Confident22 Ų2258.5 Ų58.515%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-92131.2174.1-62.50000109.8A259 K260 W404A259-C285 CarbonylContact C-O 3.52Å; A259-C285 WeakPolarHBondContact CA-O 3.34Å; K260-C285 PolarHBondContact N-O 3.41Å; K260-C285 PolarHBondContact O-N 2.83Å; C285-W404 HydrophobicContact CB-CH2 3.94Å; C285-W404 HydrophobicContact CB-CZ3 4.14Å
286L95.9Very high80.4Confident1 Ų149.2 Ų49.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-134.5117.7177-178.276.5000109.9V257 R258 A259 V288 S336 F337 L352 L354V257-L286 HydrophobicContact CB-CD1 3.98Å; V257-L286 HydrophobicContact CG2-CD1 4.1Å; R258-L286 CarbonylContact O-C 3.59Å; R258-L286 WeakPolarHBondContact O-CA 3.05Å; A259-L286 HydrophobicContact CB-CD1 3.77Å; L286-V288 HydrophobicContact CD2-CG2 4.36Å; L286-S336 WeakPolarHBondContact O-CA 3.42Å; L286-F337 HydrophobicContact CB-CB 4.49Å; L286-F337 HydrophobicContact CD2-CD2 4.27Å; L286-F337 PolarHBondContact N-O 3.12Å; L286-F337 PolarHBondContact O-N 3.35Å; L286-L352 HydrophobicContact CD2-CD2 4.13Å; L286-L354 HydrophobicContact CD2-CD1 3.99Å; L286-L354 HydrophobicContact CD2-CD2 3.62Å; L286-L354 HydrophobicContact CD2-CG 4.42Å
287V96.7Very high82.6Confident21 Ų2148 Ų4813%0.12725%0.254CS..EExtended strand (participates in β ladder)trans-95.7117.4171.3-169.30000108.7V257 R258 L289 H335 W404V257-V287 CarbonylContact C-O 3.39Å; V257-V287 VanDerWaalsContact CA-O 3.32Å; V257-V287 WeakPolarHBondContact CA-O 3.37Å; R258-V287 HydrophobicContact CB-CB 4.33Å; R258-V287 PolarHBondContact N-O 3.42Å; R258-V287 PolarHBondContact O-N 2.81Å; V287-L289 HydrophobicContact CB-CD2 4.44Å; V287-L289 HydrophobicContact CG1-CD2 3.85Å; V287-L289 PolarHBondContact O-N 3.13Å; V287-H335 WeakPolarHBondContact CA-O 3.49Å; V287-W404 HydrophobicContact CG2-CH2 3.82Å; V287-W404 HydrophobicContact CG2-CZ3 3.97Å
288V96.5Very high84.3Confident0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-86.1106.8171.6-178.10000107.8L255 L286 V306 W333 K334 H335 F337L255-V288 HydrophobicContact CD1-CG1 3.96Å; L286-V288 HydrophobicContact CD2-CG2 4.36Å; V288-V306 HydrophobicContact CG1-CB 4.33Å; V288-V306 HydrophobicContact CG1-CG1 4.48Å; V288-V306 HydrophobicContact CG1-CG2 3.9Å; V288-V306 HydrophobicContact CG2-CG1 4.48Å; V288-W333 HydrophobicContact CG1-CD2 4.46Å; V288-W333 HydrophobicContact CG1-CE3 3.77Å; V288-W333 HydrophobicContact CG1-CZ3 4.34Å; V288-K334 CarbonylContact O-C 3.58Å; V288-K334 VanDerWaalsContact O-CA 3.25Å; V288-K334 WeakPolarHBondContact O-CA 3.3Å; V288-K334 PolarHBondContact O-N 2.89Å; V288-H335 PolarHBondContact N-O 2.94Å; V288-H335 PolarHBondContact O-N 2.97Å; V288-F337 HydrophobicContact CG2-CD2 3.99Å; V288-F337 HydrophobicContact CG2-CE2 3.74Å
289L95.9Very high86.1Confident56 Ų5637 Ų3729%0.29321%0.206SC..EExtended strand (participates in β ladder)trans-78.2-53.2-171.1-58.5171000110.9A256 R258 V287 Q332 W333 K334A256-L289 HydrophobicContact CB-CB 4.22Å; A256-L289 HydrophobicContact CB-CD1 4.39Å; A256-L289 WeakPolarHBondContact O-CB 3.47Å; A256-L289 PolarHBondContact O-N 2.62Å; R258-L289 HydrophobicContact CB-CD1 4.37Å; V287-L289 HydrophobicContact CB-CD2 4.44Å; V287-L289 HydrophobicContact CG1-CD2 3.85Å; V287-L289 PolarHBondContact O-N 3.13Å; L289-Q332 CarbonylContact O-C 3.57Å; L289-Q332 WeakPolarHBondContact O-CA 3.5Å; L289-W333 PolarHBondContact O-N 3.22Å; L289-K334 PolarHBondContact O-N 2.94Å; L289-K334 VanDerWaalsContact O-N 3.09Å
290G95Very high87.2Confident10 Ų1035 Ų3510%0.10319%0.192CC..EExtended strand (participates in β ladder)trans174.5177.8-177.300000112.4A256 P331A256-G290 PolarHBondContact N-O 3.32Å; G290-P331 CarbonylContact C-O 3.57Å; G290-P331 WeakPolarHBondContact CA-O 3.36Å
291A94.1Very high88.1Confident9 Ų931.6 Ų31.67%0.07418%0.175CC..EExtended strand (participates in β ladder)trans-135.8152.517600000112.6E254 L255 L294 P331 W333E254-A291 CarbonylContact O-C 3.52Å; E254-A291 WeakPolarHBondContact O-CA 3.15Å; E254-A291 WeakPolarHBondContact O-CB 3.37Å; L255-A291 HydrophobicContact CD1-CB 3.98Å; A291-L294 HydrophobicContact CB-CD1 3.85Å; A291-L294 HydrophobicContact CB-CD2 4.1Å; A291-L294 HydrophobicContact CB-CG 3.99Å; A291-P331 HydrophobicContact CB-CG 4.28Å; A291-P331 PolarHBondContact N-O 2.94Å; A291-W333 HydrophobicContact CB-CH2 3.96Å; A291-W333 HydrophobicContact CB-CZ3 3.74Å
292K90Very high88.5Confident97 Ų9726.6 Ų26.642%0.42215%0.148SC..EExtended strand (participates in β ladder)trans-131.6164.4176.359.9178.9168.3113.80110.5G253 E254 L294G253-K292 WeakPolarHBondContact CA-O 3.28Å; E254-K292 HydrophobicContact CB-CG 3.96Å; E254-K292 PolarHBondContact N-O 3.34Å; E254-K292 PolarHBondContact O-N 3.32Å; E254-K292 WeakPolarHBondContact OE1-CE 3.42Å; E254-K292 IonicContact OE1-NZ 2.68Å; E254-K292 PolarHBondContact OE1-NZ 2.94Å; E254-K292 VanDerWaalsContact OE2-CE 3.25Å; E254-K292 WeakPolarHBondContact OE2-CE 3.35Å; E254-K292 IonicContact OE2-NZ 2.65Å; E254-K292 PolarHBondContact OE2-NZ 3.33Å; K292-L294 PolarHBondContact O-N 3.19Å; K292-L294 VanDerWaalsContact O-N 3.08Å
293N85.6Confident88.8Confident36 Ų3627.3 Ų27.319%0.19315%0.152CC..SBendtrans58.520.1177-59.3-24.1000115R194 G253 E254R194-N293 PolarHBondContact NH2-O 2.76Å; G253-N293 WeakPolarHBondContact CA-O 3.48Å; E254-N293 PolarHBondContact OE1-ND2 2.9Å
294L88.4Confident88.9Confident0 Ų023.5 Ų23.50%013%0.134CC..  trans-65147.2176.1-65.6179.5000111.7Q190 R194 A291 K292 V296 L302 P331 V356 L369 L411Q190-L294 PolarHBondContact NE2-O 3.33Å; Q190-L294 PolarHBondContact OE1-O 2.91Å; R194-L294 PolarHBondContact NH2-O 2.75Å; A291-L294 HydrophobicContact CB-CD1 3.85Å; A291-L294 HydrophobicContact CB-CD2 4.1Å; A291-L294 HydrophobicContact CB-CG 3.99Å; K292-L294 PolarHBondContact O-N 3.19Å; K292-L294 VanDerWaalsContact O-N 3.08Å; L294-V296 PolarHBondContact O-N 3.4Å; L294-L302 HydrophobicContact CB-CD1 3.89Å; L294-L302 HydrophobicContact CD1-CD1 3.8Å; L294-P331 HydrophobicContact CD1-CG 3.82Å; L294-V356 HydrophobicContact CD1-CG1 4.18Å; L294-V356 HydrophobicContact CD2-CG1 4.24Å; L294-L369 HydrophobicContact CD1-CD1 4.07Å; L294-L411 HydrophobicContact CD2-CD1 3.48Å; L294-L411 VanDerWaalsContact CD2-CD1 3.48Å
295P85.5Confident89Confident9 Ų923.5 Ų23.56%0.05813%0.134CC..  trans-66.6102.5166.525.6-30.4000109.6D158 N252 R367 L369D158-P295 HydrophobicContact CB-CB 4.13Å; N252-P295 WeakPolarHBondContact O-CD 3.2Å; P295-R367 PolarHBondContact O-NH2 2.97Å; P295-L369 HydrophobicContact CG-CB 4.37Å; P295-L369 HydrophobicContact CG-CD2 4.24Å; P295-L369 WeakPolarHBondContact O-CD2 3.44Å
296V84.2Confident89.1Confident16 Ų1622.4 Ų22.410%0.09713%0.127CC..  trans-72.4176.3176.6-63.70000112.2L294 L302 A329 R367L294-V296 PolarHBondContact O-N 3.4Å; V296-L302 HydrophobicContact CB-CG 4.42Å; V296-L302 HydrophobicContact CG1-CD1 4.14Å; V296-L302 HydrophobicContact CG1-CG 4.28Å; V296-A329 HydrophobicContact CG1-CB 4.1Å; V296-R367 VanDerWaalsContact C-NH2 3.3Å; V296-R367 PolarHBondContact O-NH2 3.46Å
297R81.3Confident89.1Confident24 Ų2425.3 Ų25.39%0.09114%0.139CC..  trans-84.8179.5170.3-69.4166.4176170.1-4111.8D299 G300 T301 L302 N303 D358 Q359R297-D299 VanDerWaalsContact CB-OD1 3.24Å; R297-D299 WeakPolarHBondContact CB-OD1 3.27Å; R297-D299 PolarHBondContact O-N 3.3Å; R297-G300 PolarHBondContact O-N 2.81Å; R297-T301 VanDerWaalsContact CB-O 3.23Å; R297-T301 WeakPolarHBondContact CB-O 3.42Å; R297-T301 WeakPolarHBondContact CD-O 3.4Å; R297-T301 WeakPolarHBondContact CG-O 3.18Å; R297-T301 PolarHBondContact N-O 2.85Å; R297-L302 HydrophobicContact CG-CD2 4.29Å; R297-N303 PolarHBondContact NH1-ND2 2.55Å; R297-D358 IonicContact CZ-OD1 3.11Å; R297-D358 IonicContact CZ-OD2 3.13Å; R297-D358 IonicContact NE-OD1 2.65Å; R297-D358 PolarHBondContact NE-OD1 2.89Å; R297-D358 IonicContact NE-OD2 2.71Å; R297-D358 PolarHBondContact NE-OD2 2.74Å; R297-D358 IonicContact NH1-OD1 3.86Å; R297-D358 IonicContact NH2-OD1 3.04Å; R297-D358 PolarHBondContact NH2-OD1 2.89Å; R297-D358 IonicContact NH2-OD2 2.69Å; R297-D358 PolarHBondContact NH2-OD2 2.87Å; R297-Q359 PolarHBondContact NH2-O 3.28Å
298S73.5Confident89.1Confident48 Ų4824.4 Ų24.434%0.33613%0.134SC..THydrogen-bonded Turntrans-56.4-28.5174.644.90000115.5R165 G300R165-S298 VanDerWaalsContact NH2-CA 3.34Å; R165-S298 VanDerWaalsContact NH2-CB 3.3Å; S298-G300 VanDerWaalsContact C-N 3.32Å
299D78.1Confident89Confident86 Ų8624.6 Ų24.646%0.4614%0.136SC..THydrogen-bonded Turntrans-86.60.7175.970.1-22.1000113.3R297 T301R297-D299 VanDerWaalsContact CB-OD1 3.24Å; R297-D299 WeakPolarHBondContact CB-OD1 3.27Å; R297-D299 PolarHBondContact O-N 3.3Å; D299-T301 VanDerWaalsContact C-N 3.31Å; D299-T301 VanDerWaalsContact CG-OG1 3.31Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.71Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å
300G77.6Confident89Confident15 Ų1522 Ų2216%0.15512%0.122CC..SBendtrans80.92.9-174.400000114.5R297 S298 A329R297-G300 PolarHBondContact O-N 2.81Å; S298-G300 VanDerWaalsContact C-N 3.32Å; G300-A329 WeakPolarHBondContact O-CB 3.48Å
301T84.6Confident88.9Confident27 Ų2722.7 Ų22.717%0.16612%0.124CC..  trans-117.1169.3-173.690.20000113.7R297 D299 K327R297-T301 VanDerWaalsContact CB-O 3.23Å; R297-T301 WeakPolarHBondContact CB-O 3.42Å; R297-T301 WeakPolarHBondContact CD-O 3.4Å; R297-T301 WeakPolarHBondContact CG-O 3.18Å; R297-T301 PolarHBondContact N-O 2.85Å; D299-T301 VanDerWaalsContact C-N 3.31Å; D299-T301 VanDerWaalsContact CG-OG1 3.31Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.71Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å; T301-K327 HydrophobicContact CG2-CB 4.46Å
302L88.6Confident88.8Confident0 Ų022.6 Ų22.60%012%0.122CC..EExtended strand (participates in β ladder)trans-138.5152.6173.8-64.4165.5000110.6L294 V296 R297 K326 K327 Q328 D358 L369L294-L302 HydrophobicContact CB-CD1 3.89Å; L294-L302 HydrophobicContact CD1-CD1 3.8Å; V296-L302 HydrophobicContact CB-CG 4.42Å; V296-L302 HydrophobicContact CG1-CD1 4.14Å; V296-L302 HydrophobicContact CG1-CG 4.28Å; R297-L302 HydrophobicContact CG-CD2 4.29Å; L302-K326 CarbonylContact O-C 3.4Å; L302-K327 WeakPolarHBondContact O-CA 3.48Å; L302-K327 PolarHBondContact O-N 3.3Å; L302-Q328 VanDerWaalsContact CB-O 3.31Å; L302-Q328 WeakPolarHBondContact CB-O 3.37Å; L302-Q328 PolarHBondContact N-O 3.01Å; L302-Q328 PolarHBondContact O-N 3.38Å; L302-D358 HydrophobicContact CD2-CB 3.95Å; L302-L369 HydrophobicContact CD1-CD1 3.62Å; L302-L369 HydrophobicContact CD2-CD1 3.9Å; L302-L369 HydrophobicContact CD2-CD2 3.96Å; L302-L369 HydrophobicContact CG-CD1 4.3Å
303N91.7Very high88.7Confident16 Ų1620.2 Ų20.29%0.08612%0.117CC..EExtended strand (participates in β ladder)trans-100.861.7163.4-67-27.3000109.1R297 V324 L325 K326 K327 D358 Q359R297-N303 PolarHBondContact NH1-ND2 2.55Å; N303-V324 HydrophobicContact CB-CG1 4.14Å; N303-V324 WeakPolarHBondContact O-CG1 3.28Å; N303-L325 CarbonylContact C-O 3.54Å; N303-L325 VanDerWaalsContact CA-O 3.26Å; N303-L325 WeakPolarHBondContact CA-O 3.37Å; N303-K326 WeakPolarHBondContact OD1-CA 3.16Å; N303-K327 PolarHBondContact OD1-N 2.91Å; N303-D358 PolarHBondContact N-OD1 3.43Å; N303-Q359 HydrophobicContact CB-CB 3.93Å; N303-Q359 WeakPolarHBondContact CB-O 3.41Å; N303-Q359 PolarHBondContact ND2-O 3.19Å; N303-Q359 WeakPolarHBondContact O-CB 3.47Å; N303-Q359 PolarHBondContact O-N 3.31Å
304S94.1Very high88.9Confident0 Ų023.2 Ų23.20%013%0.133CC..EExtended strand (participates in β ladder)trans-80.7142.6-161.867.90000114.9L325 P331 W333 W357S304-L325 PolarHBondContact N-O 3.3Å; S304-L325 PolarHBondContact O-N 3Å; S304-P331 WeakPolarHBondContact OG-CB 3.23Å; S304-P331 WeakPolarHBondContact OG-CG 3.49Å; S304-W333 PolarHBondContact O-NE1 2.86Å; S304-W333 VanDerWaalsContact O-NE1 3.07Å; S304-W333 WeakPolarHBondContact OG-CZ2 3.41Å; S304-W357 CarbonylContact C-O 3.53Å; S304-W357 WeakPolarHBondContact CA-O 3.43Å
305F96.1Very high88.9Confident0 Ų029.9 Ų29.90%016%0.164CC..EExtended strand (participates in β ladder)trans-143.9160.8169.366.2-99.7000111.3K307 K321 V324 W357 Q359 D366F305-K307 HydrophobicContact CD2-CG 4.24Å; F305-K307 HydrophobicContact CE2-CD 4.06Å; F305-K307 VanDerWaalsContact CE2-CE 3.5Å; F305-K307 HydrophobicContact CE2-CG 3.83Å; F305-K321 HydrophobicContact CD2-CD 4.24Å; F305-K321 HydrophobicContact CD2-CG 4.02Å; F305-K321 HydrophobicContact CE2-CD 4.34Å; F305-K321 VanDerWaalsContact CE2-CE 3.48Å; F305-K321 HydrophobicContact CE2-CG 4.44Å; F305-V324 HydrophobicContact CB-CG2 4.08Å; F305-V324 HydrophobicContact CD1-CG1 4.34Å; F305-V324 HydrophobicContact CD1-CG2 3.84Å; F305-V324 HydrophobicContact CG-CG2 4.27Å; F305-W357 HydrophobicContact CD1-CB 4.31Å; F305-W357 HydrophobicContact CD2-CB 3.94Å; F305-W357 HydrophobicContact CD2-CG 4.36Å; F305-W357 HydrophobicContact CE1-CB 3.82Å; F305-W357 HydrophobicContact CE2-CB 3.36Å; F305-W357 AromaticContact CE2-CD1 3.65Å; F305-W357 HydrophobicContact CE2-CD2 4.45Å; F305-W357 AromaticContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CG-CB 4.38Å; F305-W357 HydrophobicContact CZ-CB 3.31Å; F305-W357 HydrophobicContact CZ-CD2 4.43Å; F305-W357 AromaticContact CZ-CG 3.74Å; F305-W357 HydrophobicContact CZ-CG 3.74Å; F305-W357 PolarHBondContact N-O 2.89Å; F305-W357 PolarHBondContact O-N 3.02Å; F305-Q359 HydrophobicContact CD1-CB 4.03Å; F305-Q359 HydrophobicContact CE1-CB 3.88Å; F305-D366 WeakPolarHBondContact CE1-OD2 3.18Å; F305-D366 HydrophobicContact CZ-CB 4.36Å; F305-D366 WeakPolarHBondContact CZ-OD2 3.43Å
306V97Very high89.2Confident0 Ų034.2 Ų34.20%018%0.183CC..EExtended strand (participates in β ladder)trans-111.1136.4174.5-175.40000110.2L255 V288 K321 S322 W333 F337 T355 V356L255-V306 HydrophobicContact CD1-CG2 4.23Å; L255-V306 HydrophobicContact CD2-CG1 4.49Å; V288-V306 HydrophobicContact CG1-CB 4.33Å; V288-V306 HydrophobicContact CG1-CG1 4.48Å; V288-V306 HydrophobicContact CG1-CG2 3.9Å; V288-V306 HydrophobicContact CG2-CG1 4.48Å; V306-K321 WeakPolarHBondContact O-CA 3.35Å; V306-S322 PolarHBondContact N-OG 2.85Å; V306-S322 PolarHBondContact O-N 3.45Å; V306-W333 HydrophobicContact CG2-CD2 4Å; V306-W333 HydrophobicContact CG2-CE3 3.85Å; V306-W333 HydrophobicContact CG2-CH2 3.56Å; V306-W333 HydrophobicContact CG2-CZ2 3.7Å; V306-W333 HydrophobicContact CG2-CZ3 3.64Å; V306-F337 HydrophobicContact CG1-CE2 4.42Å; V306-T355 WeakPolarHBondContact CA-O 3Å; V306-V356 HydrophobicContact CG2-CG1 4.36Å; V306-V356 HydrophobicContact CG2-CG2 4.14Å
307K96.9Very high89.6Confident62 Ų6238.5 Ų38.527%0.2720%0.201SC..EExtended strand (participates in β ladder)trans-104.8134.5164.2-71.2169.9-171.2132.60108.4F305 V320 K321 T355 W357F305-K307 HydrophobicContact CD2-CG 4.24Å; F305-K307 HydrophobicContact CE2-CD 4.06Å; F305-K307 VanDerWaalsContact CE2-CE 3.5Å; F305-K307 HydrophobicContact CE2-CG 3.83Å; K307-V320 CarbonylContact C-O 3.44Å; K307-V320 WeakPolarHBondContact CA-O 3.48Å; K307-K321 HydrophobicContact CG-CB 4.44Å; K307-K321 HydrophobicContact CG-CG 4.1Å; K307-T355 PolarHBondContact N-O 2.87Å; K307-T355 PolarHBondContact O-N 2.75Å; K307-W357 VanDerWaalsContact NZ-CE2 3.31Å
308G95.9Very high90.2Very high1 Ų139.5 Ų39.51%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-108.2140.7167.100000110.9R319 V320 E353G308-R319 WeakPolarHBondContact O-CA 3.39Å; G308-V320 PolarHBondContact N-O 3.04Å; G308-V320 WeakPolarHBondContact O-CG2 3.17Å; G308-V320 PolarHBondContact O-N 3.2Å; G308-E353 CarbonylContact C-O 3.59Å; G308-E353 WeakPolarHBondContact CA-O 3.25Å
309C95.4Very high91.2Very high5 Ų545.8 Ų45.83%0.03422%0.224CC..EExtended strand (participates in β ladder)trans-137.9103.6177.7-173.70000109.3L318 E353C309-L318 CarbonylContact C-O 3.56Å; C309-L318 WeakPolarHBondContact CA-O 3.38Å; C309-E353 HydrophobicContact CB-CB 4.26Å; C309-E353 PolarHBondContact N-O 2.65Å; C309-E353 PolarHBondContact O-N 2.84Å
310L94.6Very high92.1Very high0 Ų043.3 Ų43.30%021%0.212CC..EExtended strand (participates in β ladder)trans-88.5112.6171.8-179.464.9000108.5L284 L312 K317 L318 F339 V342 L347 L352 W394L284-L310 HydrophobicContact CD2-CD2 4.3Å; L310-L312 HydrophobicContact CD2-CD2 3.98Å; L310-L312 HydrophobicContact CG-CD2 4.05Å; L310-K317 WeakPolarHBondContact O-CA 3.27Å; L310-L318 HydrophobicContact CB-CB 4.42Å; L310-L318 PolarHBondContact N-O 3.15Å; L310-L318 PolarHBondContact O-N 2.98Å; L310-F339 HydrophobicContact CB-CD1 3.83Å; L310-F339 HydrophobicContact CB-CD2 4.45Å; L310-F339 HydrophobicContact CB-CE1 3.71Å; L310-F339 HydrophobicContact CB-CE2 4.34Å; L310-F339 HydrophobicContact CB-CG 4.19Å; L310-F339 HydrophobicContact CB-CZ 3.97Å; L310-F339 HydrophobicContact CD2-CB 3.84Å; L310-F339 HydrophobicContact CD2-CD1 4.14Å; L310-F339 HydrophobicContact CD2-CD2 4.18Å; L310-F339 HydrophobicContact CD2-CG 3.8Å; L310-V342 HydrophobicContact CD2-CG1 4.03Å; L310-L347 HydrophobicContact CD1-CD2 4.24Å; L310-L347 HydrophobicContact CD2-CD2 3.95Å; L310-L352 HydrophobicContact CB-CD1 4.42Å; L310-L352 HydrophobicContact CD1-CB 4.12Å; L310-W394 HydrophobicContact CD1-CH2 4.32Å
311T93.9Very high93Very high25 Ų2547.1 Ų47.115%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-94114.4173.5-53.30000109K317 S350 T351T311-K317 HydrophobicContact CG2-CG 4.03Å; T311-S350 VanDerWaalsContact O-CA 3.31Å; T311-S350 WeakPolarHBondContact O-CA 3.46Å; T311-S350 VanDerWaalsContact O-CB 3.3Å; T311-S350 WeakPolarHBondContact O-CB 3.15Å; T311-T351 PolarHBondContact N-O 3.49Å; T311-T351 PolarHBondContact O-N 2.8Å; T311-T351 VanDerWaalsContact O-N 3.08Å
312L91.6Very high93.5Very high7 Ų746.1 Ų46.14%0.03722%0.219CC..  trans-83.2164.9177.5-61.5-179.7000111.3L310 N314 Q315 Q316 L318 V342 S350L310-L312 HydrophobicContact CD2-CD2 3.98Å; L310-L312 HydrophobicContact CG-CD2 4.05Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 WeakPolarHBondContact CB-OD1 3.35Å; L312-N314 PolarHBondContact O-N 2.81Å; L312-Q315 WeakPolarHBondContact O-CA 3.35Å; L312-Q315 PolarHBondContact O-N 3.26Å; L312-Q316 HydrophobicContact CB-CB 4.42Å; L312-Q316 HydrophobicContact CD1-CB 4.45Å; L312-Q316 PolarHBondContact N-O 2.75Å; L312-L318 HydrophobicContact CD1-CD1 4.12Å; L312-L318 HydrophobicContact CD1-CG 4.34Å; L312-V342 HydrophobicContact CD2-CG1 4.02Å; L312-S350 WeakPolarHBondContact CD2-OG 3.24Å
313P88.7Confident93.9Very high48 Ų4849.8 Ų49.831%0.31224%0.242SC..THydrogen-bonded Turntrans-62.7-29.6-174.3-25.437.4000114.2Q315 Q349P313-Q315 PolarHBondContact O-N 3.28Å; P313-Q315 VanDerWaalsContact O-N 3.12Å; P313-Q349 HydrophobicContact CB-CB 4.29Å; P313-Q349 HydrophobicContact CG-CB 3.56Å
314N89.4Confident94Very high99 Ų9950.9 Ų50.953%0.52925%0.249SC..THydrogen-bonded Turntrans-74.216172.867-14.5000113.9L312 Q316L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 WeakPolarHBondContact CB-OD1 3.35Å; L312-N314 PolarHBondContact O-N 2.81Å; N314-Q316 PolarHBondContact ND2-OE1 3.21Å; N314-Q316 PolarHBondContact O-N 3.4Å; N314-Q316 VanDerWaalsContact O-N 3.08Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.46Å; N314-Q316 PolarHBondContact OD1-N 2.8Å; N314-Q316 VanDerWaalsContact OD1-N 3.15Å
315Q87.7Confident94Very high139 Ų13952.9 Ų52.965%0.6526%0.26SS*.SBendtrans61.54.8-173.3-57.7-58.4-52.200115.9L312 P313 K317L312-Q315 WeakPolarHBondContact O-CA 3.35Å; L312-Q315 PolarHBondContact O-N 3.26Å; P313-Q315 PolarHBondContact O-N 3.28Å; P313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-K317 PolarHBondContact O-N 2.69Å
316Q91.7Very high93.8Very high100 Ų10059.7 Ų59.747%0.46729%0.29SS..  trans-67129.2176.2-171.2178.26.800110.3L312 N314 L318L312-Q316 HydrophobicContact CB-CB 4.42Å; L312-Q316 HydrophobicContact CD1-CB 4.45Å; L312-Q316 PolarHBondContact N-O 2.75Å; N314-Q316 PolarHBondContact ND2-OE1 3.21Å; N314-Q316 PolarHBondContact O-N 3.4Å; N314-Q316 VanDerWaalsContact O-N 3.08Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.46Å; N314-Q316 PolarHBondContact OD1-N 2.8Å; N314-Q316 VanDerWaalsContact OD1-N 3.15Å; Q316-L318 HydrophobicContact CG-CD2 4.33Å
317K93.1Very high93.4Very high107 Ų10767.6 Ų67.647%0.46532%0.324SS..EExtended strand (participates in β ladder)trans-110.5100.6-177-70-175.6178.8-178.50110.9L310 T311 Q315L310-K317 WeakPolarHBondContact O-CA 3.27Å; T311-K317 HydrophobicContact CG2-CG 4.03Å; Q315-K317 PolarHBondContact O-N 2.69Å
318L93.3Very high92.8Very high45 Ų4568.5 Ų68.524%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-79.4119.9172.8-53.9-177.7000108.5C309 L310 L312 Q316 F339 V342C309-L318 CarbonylContact C-O 3.56Å; C309-L318 WeakPolarHBondContact CA-O 3.38Å; L310-L318 HydrophobicContact CB-CB 4.42Å; L310-L318 PolarHBondContact N-O 3.15Å; L310-L318 PolarHBondContact O-N 2.98Å; L312-L318 HydrophobicContact CD1-CD1 4.12Å; L312-L318 HydrophobicContact CD1-CG 4.34Å; Q316-L318 HydrophobicContact CG-CD2 4.33Å; L318-F339 HydrophobicContact CB-CD1 3.72Å; L318-F339 HydrophobicContact CB-CE1 4.12Å; L318-F339 HydrophobicContact CD1-CB 4.32Å; L318-F339 HydrophobicContact CD1-CD1 4.28Å; L318-V342 HydrophobicContact CD1-CG1 4.17Å
319R95.7Very high92.2Very high179 Ų17970.4 Ų70.468%0.67535%0.345SS*.EExtended strand (participates in β ladder)trans-116.8140.4-173.2-63.1-179-173.7-99.414111.8G308G308-R319 WeakPolarHBondContact O-CA 3.39Å
320V96.3Very high91.8Very high34 Ų3474 Ų7421%0.20637%0.369CS..EExtended strand (participates in β ladder)trans-139.1152.4-179.9-68.70000109.9K307 G308 F337 F339K307-V320 CarbonylContact C-O 3.44Å; K307-V320 WeakPolarHBondContact CA-O 3.48Å; G308-V320 PolarHBondContact N-O 3.04Å; G308-V320 WeakPolarHBondContact O-CG2 3.17Å; G308-V320 PolarHBondContact O-N 3.2Å; V320-F337 HydrophobicContact CB-CB 4.32Å; V320-F337 HydrophobicContact CB-CD1 3.67Å; V320-F337 HydrophobicContact CB-CD2 4.34Å; V320-F337 HydrophobicContact CB-CE1 3.96Å; V320-F337 HydrophobicContact CB-CG 3.87Å; V320-F337 HydrophobicContact CB-CZ 4.43Å; V320-F337 HydrophobicContact CG1-CB 4.45Å; V320-F337 HydrophobicContact CG1-CD1 4.44Å; V320-F337 HydrophobicContact CG2-CB 3.87Å; V320-F337 HydrophobicContact CG2-CD1 3.73Å; V320-F337 HydrophobicContact CG2-CD2 3.46Å; V320-F337 VanDerWaalsContact CG2-CD2 3.46Å; V320-F337 HydrophobicContact CG2-CE1 4.04Å; V320-F337 HydrophobicContact CG2-CE2 3.82Å; V320-F337 HydrophobicContact CG2-CG 3.41Å; V320-F337 VanDerWaalsContact CG2-CG 3.41Å; V320-F337 HydrophobicContact CG2-CZ 4.09Å; V320-F339 HydrophobicContact CG1-CE1 3.99Å; V320-F339 HydrophobicContact CG1-CZ 4.4Å; V320-F339 HydrophobicContact CG2-CE1 3.91Å; V320-F339 HydrophobicContact CG2-CZ 3.62Å
321K96.3Very high91.6Very high96 Ų9674 Ų7442%0.41737%0.369SS..EExtended strand (participates in β ladder)trans-142.3134.6179.8-172.4-171.1174.3176.20110.2F305 V306 K307 F337F305-K321 HydrophobicContact CD2-CD 4.24Å; F305-K321 HydrophobicContact CD2-CG 4.02Å; F305-K321 HydrophobicContact CE2-CD 4.34Å; F305-K321 VanDerWaalsContact CE2-CE 3.48Å; F305-K321 HydrophobicContact CE2-CG 4.44Å; V306-K321 WeakPolarHBondContact O-CA 3.35Å; K307-K321 HydrophobicContact CG-CB 4.44Å; K307-K321 HydrophobicContact CG-CG 4.1Å; K321-F337 VanDerWaalsContact C-CE1 3.49Å
322S96.3Very high91.6Very high6 Ų678.5 Ų78.54%0.04239%0.388CS..PPolyproline II helixtrans-77.2163.7175.774.70000112V306V306-S322 PolarHBondContact N-OG 2.85Å; V306-S322 PolarHBondContact O-N 3.45Å
323P95.7Very high91.8Very high77 Ų7779.1 Ų79.150%0.539%0.39SS..PPolyproline II helixtrans-53154160.4-24.935000112
324V94.9Very high92.1Very high38 Ų3883.4 Ų83.423%0.2340%0.404CS..PPolyproline II helixtrans-90.5116.5176.5-171.90000109.6N303 F305 K326 Q359N303-V324 HydrophobicContact CB-CG1 4.14Å; N303-V324 WeakPolarHBondContact O-CG1 3.28Å; F305-V324 HydrophobicContact CB-CG2 4.08Å; F305-V324 HydrophobicContact CD1-CG1 4.34Å; F305-V324 HydrophobicContact CD1-CG2 3.84Å; F305-V324 HydrophobicContact CG-CG2 4.27Å; V324-K326 HydrophobicContact CG1-CG 4.42Å; V324-Q359 HydrophobicContact CG1-CB 3.88Å
325L93.3Very high92.4Very high43 Ų4381.3 Ų81.323%0.22539%0.391CS..EExtended strand (participates in β ladder)trans-87.1117.7172.2-64.9-179.8000109.1N303 S304 P331 W333N303-L325 CarbonylContact C-O 3.54Å; N303-L325 VanDerWaalsContact CA-O 3.26Å; N303-L325 WeakPolarHBondContact CA-O 3.37Å; S304-L325 PolarHBondContact N-O 3.3Å; S304-L325 PolarHBondContact O-N 3Å; L325-P331 HydrophobicContact CD1-CB 3.93Å; L325-W333 HydrophobicContact CD1-CB 4.4Å; L325-W333 HydrophobicContact CD1-CD2 4.33Å; L325-W333 HydrophobicContact CD1-CG 3.85Å; L325-W333 HydrophobicContact CG-CG 4.41Å
326K92Very high92.8Very high143 Ų14378.2 Ų78.262%0.62238%0.384SS*.EExtended strand (participates in β ladder)trans-94.8143.1-173.2-65.2178.5-178.5176.10111.6L302 N303 V324 Q328L302-K326 CarbonylContact O-C 3.4Å; N303-K326 WeakPolarHBondContact OD1-CA 3.16Å; V324-K326 HydrophobicContact CG1-CG 4.42Å; K326-Q328 PolarHBondContact O-N 3.41Å
327K87.7Confident93Very high166 Ų16673.7 Ų73.772%0.72236%0.363SS*.EExtended strand (participates in β ladder)trans52.745.8177.6-57.2-172.8177.9-174.40115T301 L302 N303T301-K327 HydrophobicContact CG2-CB 4.46Å; L302-K327 WeakPolarHBondContact O-CA 3.48Å; L302-K327 PolarHBondContact O-N 3.3Å; N303-K327 PolarHBondContact OD1-N 2.91Å
328Q86.2Confident93.1Very high80 Ų8071.7 Ų71.737%0.37436%0.36SS..EExtended strand (participates in β ladder)trans-123.3142.2176.5-70-173.5-1900112.5L302 K326L302-Q328 VanDerWaalsContact CB-O 3.31Å; L302-Q328 WeakPolarHBondContact CB-O 3.37Å; L302-Q328 PolarHBondContact N-O 3.01Å; L302-Q328 PolarHBondContact O-N 3.38Å; K326-Q328 PolarHBondContact O-N 3.41Å
329A81.4Confident93.1Very high41 Ų4169.7 Ų69.734%0.33935%0.349SS..SBendtrans-86.6-41.9173.900000112.6V296 G300 P331V296-A329 HydrophobicContact CG1-CB 4.1Å; G300-A329 WeakPolarHBondContact O-CB 3.48Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å
330C87.9Confident92.8Very high80 Ų8065.9 Ų65.954%0.54134%0.342SS..SBendtrans-118.879.8-178.9-64.10000109.7
331P91.5Very high92.4Very high1 Ų166.2 Ų66.21%0.00635%0.353CS..  trans-68142.1-172.327.9-36.9000113.2G290 A291 L294 S304 L325 A329 W333G290-P331 CarbonylContact C-O 3.57Å; G290-P331 WeakPolarHBondContact CA-O 3.36Å; A291-P331 HydrophobicContact CB-CG 4.28Å; A291-P331 PolarHBondContact N-O 2.94Å; L294-P331 HydrophobicContact CD1-CG 3.82Å; S304-P331 WeakPolarHBondContact OG-CB 3.23Å; S304-P331 WeakPolarHBondContact OG-CG 3.49Å; L325-P331 HydrophobicContact CD1-CB 3.93Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-W333 HydrophobicContact CB-CD2 4.35Å; P331-W333 HydrophobicContact CB-CE3 4.47Å; P331-W333 HydrophobicContact CB-CH2 3.92Å; P331-W333 HydrophobicContact CB-CZ2 3.76Å; P331-W333 HydrophobicContact CB-CZ3 4.27Å; P331-W333 HydrophobicContact CG-CH2 3.37Å; P331-W333 HydrophobicContact CG-CZ2 3.62Å; P331-W333 HydrophobicContact CG-CZ3 3.89Å
332Q93.8Very high92Very high119 Ų11961.7 Ų61.756%0.55633%0.333SS*.  trans-124.183175.4-65.8-170.79.700110.9L289 K334L289-Q332 CarbonylContact O-C 3.57Å; L289-Q332 WeakPolarHBondContact O-CA 3.5Å; Q332-K334 PolarHBondContact O-N 2.77Å
333W94.8Very high91.5Very high21 Ų2161.6 Ų61.68%0.0833%0.333CS..  trans-66.4-34.3-177.9-59.3-83.3000113.7L255 V288 L289 A291 S304 V306 L325 P331 H335 V356L255-W333 HydrophobicContact CD1-CZ3 3.78Å; V288-W333 HydrophobicContact CG1-CD2 4.46Å; V288-W333 HydrophobicContact CG1-CE3 3.77Å; V288-W333 HydrophobicContact CG1-CZ3 4.34Å; L289-W333 PolarHBondContact O-N 3.22Å; A291-W333 HydrophobicContact CB-CH2 3.96Å; A291-W333 HydrophobicContact CB-CZ3 3.74Å; S304-W333 PolarHBondContact O-NE1 2.86Å; S304-W333 VanDerWaalsContact O-NE1 3.07Å; S304-W333 WeakPolarHBondContact OG-CZ2 3.41Å; V306-W333 HydrophobicContact CG2-CD2 4Å; V306-W333 HydrophobicContact CG2-CE3 3.85Å; V306-W333 HydrophobicContact CG2-CH2 3.56Å; V306-W333 HydrophobicContact CG2-CZ2 3.7Å; V306-W333 HydrophobicContact CG2-CZ3 3.64Å; L325-W333 HydrophobicContact CD1-CB 4.4Å; L325-W333 HydrophobicContact CD1-CD2 4.33Å; L325-W333 HydrophobicContact CD1-CG 3.85Å; L325-W333 HydrophobicContact CG-CG 4.41Å; P331-W333 HydrophobicContact CB-CD2 4.35Å; P331-W333 HydrophobicContact CB-CE3 4.47Å; P331-W333 HydrophobicContact CB-CH2 3.92Å; P331-W333 HydrophobicContact CB-CZ2 3.76Å; P331-W333 HydrophobicContact CB-CZ3 4.27Å; P331-W333 HydrophobicContact CG-CH2 3.37Å; P331-W333 HydrophobicContact CG-CZ2 3.62Å; P331-W333 HydrophobicContact CG-CZ3 3.89Å; W333-H335 HydrophobicContact CB-CB 3.98Å; W333-H335 WeakPolarHBondContact O-CB 3.42Å; W333-H335 PolarHBondContact O-N 3.34Å; W333-V356 HydrophobicContact CH2-CG1 3.75Å; W333-V356 HydrophobicContact CZ2-CG1 4.19Å
334K94.4Very high91Very high137 Ų13759.2 Ų59.260%0.59632%0.317SS*.  trans44.935.6-175.3-64.1170.2-176.7161.70112.9V288 L289 Q332V288-K334 CarbonylContact O-C 3.58Å; V288-K334 VanDerWaalsContact O-CA 3.25Å; V288-K334 WeakPolarHBondContact O-CA 3.3Å; V288-K334 PolarHBondContact O-N 2.89Å; L289-K334 PolarHBondContact O-N 2.94Å; L289-K334 VanDerWaalsContact O-N 3.09Å; Q332-K334 PolarHBondContact O-N 2.77Å
335H95.4Very high90.6Very high56 Ų5660.5 Ų60.526%0.25933%0.328SS..EExtended strand (participates in β ladder)trans-110.1135-162.2-179.875.4000111.7V287 V288 W333 F337V287-H335 WeakPolarHBondContact CA-O 3.49Å; V288-H335 PolarHBondContact N-O 2.94Å; V288-H335 PolarHBondContact O-N 2.97Å; W333-H335 HydrophobicContact CB-CB 3.98Å; W333-H335 WeakPolarHBondContact O-CB 3.42Å; W333-H335 PolarHBondContact O-N 3.34Å; H335-F337 AromaticContact CD2-CD1 3.69Å; H335-F337 AromaticContact CD2-CE1 3.33Å; H335-F337 WeakPolarHBondContact CD2-CE1 3.14Å; H335-F337 AromaticContact NE2-CD1 3.75Å; H335-F337 AromaticContact NE2-CE1 3.51Å
336S96.1Very high90.4Very high73 Ų7361.3 Ų61.351%0.5133%0.331SS..EExtended strand (participates in β ladder)trans-96.9121.8-174.3-58.20000112.3L286L286-S336 WeakPolarHBondContact O-CA 3.42Å
337F96.2Very high90.3Very high6 Ų654.5 Ų54.53%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-96.2144.9162.4-59.6-34.8000110.2L286 V288 V306 V320 K321 H335L286-F337 HydrophobicContact CB-CB 4.49Å; L286-F337 HydrophobicContact CD2-CD2 4.27Å; L286-F337 PolarHBondContact N-O 3.12Å; L286-F337 PolarHBondContact O-N 3.35Å; V288-F337 HydrophobicContact CG2-CD2 3.99Å; V288-F337 HydrophobicContact CG2-CE2 3.74Å; V306-F337 HydrophobicContact CG1-CE2 4.42Å; V320-F337 HydrophobicContact CB-CB 4.32Å; V320-F337 HydrophobicContact CB-CD1 3.67Å; V320-F337 HydrophobicContact CB-CD2 4.34Å; V320-F337 HydrophobicContact CB-CE1 3.96Å; V320-F337 HydrophobicContact CB-CG 3.87Å; V320-F337 HydrophobicContact CB-CZ 4.43Å; V320-F337 HydrophobicContact CG1-CB 4.45Å; V320-F337 HydrophobicContact CG1-CD1 4.44Å; V320-F337 HydrophobicContact CG2-CB 3.87Å; V320-F337 HydrophobicContact CG2-CD1 3.73Å; V320-F337 HydrophobicContact CG2-CD2 3.46Å; V320-F337 VanDerWaalsContact CG2-CD2 3.46Å; V320-F337 HydrophobicContact CG2-CE1 4.04Å; V320-F337 HydrophobicContact CG2-CE2 3.82Å; V320-F337 HydrophobicContact CG2-CG 3.41Å; V320-F337 VanDerWaalsContact CG2-CG 3.41Å; V320-F337 HydrophobicContact CG2-CZ 4.09Å; K321-F337 VanDerWaalsContact C-CE1 3.49Å; H335-F337 AromaticContact CD2-CD1 3.69Å; H335-F337 AromaticContact CD2-CE1 3.33Å; H335-F337 WeakPolarHBondContact CD2-CE1 3.14Å; H335-F337 AromaticContact NE2-CD1 3.75Å; H335-F337 AromaticContact NE2-CE1 3.51Å
338V95.2Very high90.4Very high64 Ų6452.9 Ų52.939%0.38829%0.291SS..EExtended strand (participates in β ladder)trans-134.3123.1174.9-174.60000108.8Q283 L284 N340Q283-V338 HydrophobicContact CB-CG1 4.12Å; L284-V338 WeakPolarHBondContact O-CA 3.41Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.18Å
339F93.1Very high90.5Very high4 Ų455.9 Ų55.92%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-101.2111.7170.2-54.3-82.9000108.4Q283 L284 L310 L318 V320 V342 L352Q283-F339 CarbonylContact C-O 3.58Å; Q283-F339 VanDerWaalsContact CA-O 3.3Å; Q283-F339 WeakPolarHBondContact CA-O 3.45Å; L284-F339 HydrophobicContact CB-CB 4.29Å; L284-F339 HydrophobicContact CB-CD2 4.24Å; L284-F339 HydrophobicContact CD2-CD2 4Å; L284-F339 HydrophobicContact CD2-CE2 4.5Å; L284-F339 HydrophobicContact CG-CD2 4.24Å; L284-F339 PolarHBondContact N-O 2.88Å; L284-F339 PolarHBondContact O-N 2.84Å; L310-F339 HydrophobicContact CB-CD1 3.83Å; L310-F339 HydrophobicContact CB-CD2 4.45Å; L310-F339 HydrophobicContact CB-CE1 3.71Å; L310-F339 HydrophobicContact CB-CE2 4.34Å; L310-F339 HydrophobicContact CB-CG 4.19Å; L310-F339 HydrophobicContact CB-CZ 3.97Å; L310-F339 HydrophobicContact CD2-CB 3.84Å; L310-F339 HydrophobicContact CD2-CD1 4.14Å; L310-F339 HydrophobicContact CD2-CD2 4.18Å; L310-F339 HydrophobicContact CD2-CG 3.8Å; L318-F339 HydrophobicContact CB-CD1 3.72Å; L318-F339 HydrophobicContact CB-CE1 4.12Å; L318-F339 HydrophobicContact CD1-CB 4.32Å; L318-F339 HydrophobicContact CD1-CD1 4.28Å; V320-F339 HydrophobicContact CG1-CE1 3.99Å; V320-F339 HydrophobicContact CG1-CZ 4.4Å; V320-F339 HydrophobicContact CG2-CE1 3.91Å; V320-F339 HydrophobicContact CG2-CZ 3.62Å; F339-V342 HydrophobicContact CB-CG1 4.45Å; F339-V342 WeakPolarHBondContact O-CG2 3.25Å; F339-L352 HydrophobicContact CE2-CD1 3.96Å; F339-L352 HydrophobicContact CZ-CD1 3.99Å
340N90.6Very high91Very high98 Ų9854 Ų5452%0.52429%0.289SS..EExtended strand (participates in β ladder)trans-88.5154.9-179.2-66.6-39.8000111.7Q283 V338Q283-N340 PolarHBondContact NE2-OD1 3.36Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.18Å
341G86.5Confident91.2Very high42 Ų4252 Ų5243%0.43328%0.275SS..EExtended strand (participates in β ladder)trans72.732.3171.300000113.7G282G282-G341 PolarHBondContact O-N 3.45Å
342V88.2Confident91.3Very high0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans-113.8121.6-176.4-66.80000110.7G282 L284 L310 L312 L318 F339 L347G282-V342 CarbonylContact C-O 3.58Å; G282-V342 WeakPolarHBondContact CA-O 3.34Å; G282-V342 PolarHBondContact N-O 3.26Å; G282-V342 PolarHBondContact O-N 3.38Å; G282-V342 VanDerWaalsContact O-N 3.15Å; L284-V342 HydrophobicContact CB-CG2 4.11Å; L310-V342 HydrophobicContact CD2-CG1 4.03Å; L312-V342 HydrophobicContact CD2-CG1 4.02Å; L318-V342 HydrophobicContact CD1-CG1 4.17Å; F339-V342 HydrophobicContact CB-CG1 4.45Å; F339-V342 WeakPolarHBondContact O-CG2 3.25Å; V342-L347 HydrophobicContact CB-CD1 4.37Å; V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.18Å; V342-L347 HydrophobicContact CG2-CD1 4.02Å; V342-L347 HydrophobicContact CG2-CD2 4.26Å; V342-L347 HydrophobicContact CG2-CG 4.33Å
343S86.7Confident91.3Very high5 Ų548 Ų484%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-86.8156.6179.679.20000112.1S345 Q346 L347S343-S345 PolarHBondContact O-N 2.77Å; S343-S345 PolarHBondContact OG-OG 3.12Å; S343-Q346 PolarHBondContact O-N 3.2Å; S343-Q346 WeakPolarHBondContact OG-CG 3.23Å; S343-Q346 PolarHBondContact OG-N 3.01Å; S343-Q346 PolarHBondContact OG-OE1 2.95Å; S343-L347 WeakPolarHBondContact O-CG 3.46Å; S343-L347 PolarHBondContact O-N 2.81Å
344S85.8Confident91.4Very high26 Ų2647.1 Ų47.118%0.18225%0.252CS..Hα-helixtrans-60.4-28.2176.8-63.40000113.4R348S344-R348 WeakPolarHBondContact O-CG 3.16Å; S344-R348 PolarHBondContact O-N 3.08Å
345S86.1Confident91.4Very high66 Ų6641 Ų4146%0.46223%0.227SC..Hα-helixtrans-75-43.6175.748.70000111.7S343 R348S343-S345 PolarHBondContact O-N 2.77Å; S343-S345 PolarHBondContact OG-OG 3.12Å; S345-R348 PolarHBondContact O-N 2.8Å
346Q89.2Confident91.4Very high60 Ų6038.3 Ų38.328%0.2821%0.214SC..Hα-helixtrans-59.4-47.7172.9-72.5167.4-25.300111.2S343 R348 Q349 S350S343-Q346 PolarHBondContact O-N 3.2Å; S343-Q346 WeakPolarHBondContact OG-CG 3.23Å; S343-Q346 PolarHBondContact OG-N 3.01Å; S343-Q346 PolarHBondContact OG-OE1 2.95Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 2.98Å; Q346-Q349 CarbonylContact O-C 3.57Å; Q346-Q349 PolarHBondContact O-N 3.2Å; Q346-S350 VanDerWaalsContact C-OG 3.32Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.06Å; Q346-S350 PolarHBondContact O-OG 2.81Å
347L90Very high91.3Very high0 Ų037.6 Ų37.60%020%0.2CC..Hα-helixtrans-63.6-32.6-178.3-70.4175.3000113.3L261 L284 L310 V342 S343 Q349 S350 W394 L398L261-L347 HydrophobicContact CD1-CD1 3.52Å; L261-L347 HydrophobicContact CD2-CD1 4.04Å; L261-L347 HydrophobicContact CG-CD1 4.36Å; L284-L347 HydrophobicContact CB-CD1 4.47Å; L284-L347 HydrophobicContact CD2-CD2 4.16Å; L310-L347 HydrophobicContact CD1-CD2 4.24Å; L310-L347 HydrophobicContact CD2-CD2 3.95Å; V342-L347 HydrophobicContact CB-CD1 4.37Å; V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.18Å; V342-L347 HydrophobicContact CG2-CD1 4.02Å; V342-L347 HydrophobicContact CG2-CD2 4.26Å; V342-L347 HydrophobicContact CG2-CG 4.33Å; S343-L347 WeakPolarHBondContact O-CG 3.46Å; S343-L347 PolarHBondContact O-N 2.81Å; L347-Q349 PolarHBondContact O-N 2.86Å; L347-S350 PolarHBondContact O-N 3.16Å; L347-W394 HydrophobicContact CB-CZ2 4.47Å; L347-W394 HydrophobicContact CD2-CH2 4.36Å; L347-W394 HydrophobicContact CD2-CZ2 4.25Å; L347-W394 PolarHBondContact O-NE1 3.28Å; L347-W394 VanDerWaalsContact O-NE1 3.14Å; L347-L398 HydrophobicContact CB-CD1 4.25Å; L347-L398 HydrophobicContact CB-CD2 3.71Å; L347-L398 HydrophobicContact CD1-CD2 4.01Å; L347-L398 HydrophobicContact CG-CD2 4.47Å
348R88.5Confident91.2Very high131 Ų13137.6 Ų37.649%0.49420%0.2SC..THydrogen-bonded Turntrans-65.2-15.7172.2-83.2-169.3-76.6-97.28.8114.2S344 S345 Q346 S376 L398S344-R348 WeakPolarHBondContact O-CG 3.16Å; S344-R348 PolarHBondContact O-N 3.08Å; S345-R348 PolarHBondContact O-N 2.8Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 2.98Å; R348-S376 WeakPolarHBondContact O-CB 2.82Å; R348-S376 PolarHBondContact O-OG 2.67Å; R348-L398 HydrophobicContact CB-CD1 4.5Å; R348-L398 HydrophobicContact CG-CD1 3.82Å
349Q88.7Confident91Very high144 Ų14437.6 Ų37.667%0.67320%0.196SC*.THydrogen-bonded Turntrans-114.3-1.9175.6-68.9178.4-5.800113P313 Q346 L347P313-Q349 HydrophobicContact CB-CB 4.29Å; P313-Q349 HydrophobicContact CG-CB 3.56Å; Q346-Q349 CarbonylContact O-C 3.57Å; Q346-Q349 PolarHBondContact O-N 3.2Å; L347-Q349 PolarHBondContact O-N 2.86Å
350S91.2Very high90.6Very high1 Ų138.6 Ų38.61%0.00721%0.205CC..  trans-87.1163.1-177.6-60.60000112.6T311 L312 Q346 L347T311-S350 VanDerWaalsContact O-CA 3.31Å; T311-S350 WeakPolarHBondContact O-CA 3.46Å; T311-S350 VanDerWaalsContact O-CB 3.3Å; T311-S350 WeakPolarHBondContact O-CB 3.15Å; L312-S350 WeakPolarHBondContact CD2-OG 3.24Å; Q346-S350 VanDerWaalsContact C-OG 3.32Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.06Å; Q346-S350 PolarHBondContact O-OG 2.81Å; L347-S350 PolarHBondContact O-N 3.16Å
351T92.3Very high90Very high39 Ų3938.7 Ų38.724%0.23921%0.205CC..EExtended strand (participates in β ladder)trans-125.6124.1169-54.80000109.4T311 L374T311-T351 PolarHBondContact N-O 3.49Å; T311-T351 PolarHBondContact O-N 2.8Å; T311-T351 VanDerWaalsContact O-N 3.08Å; T351-L374 CarbonylContact C-O 3.57Å; T351-L374 WeakPolarHBondContact CA-O 3.44Å
352L94.4Very high89.1Confident1 Ų146.2 Ų46.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-94.2116.9169.4172.863.2000109.3L286 L310 F339 L354 L374 W394L286-L352 HydrophobicContact CD2-CD2 4.13Å; L310-L352 HydrophobicContact CB-CD1 4.42Å; L310-L352 HydrophobicContact CD1-CB 4.12Å; F339-L352 HydrophobicContact CE2-CD1 3.96Å; F339-L352 HydrophobicContact CZ-CD1 3.99Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CG-CD2 4.45Å; L352-L354 HydrophobicContact CG-CG 4.28Å; L352-L374 HydrophobicContact CB-CB 4.34Å; L352-L374 HydrophobicContact CD2-CD1 4.25Å; L352-L374 PolarHBondContact N-O 2.8Å; L352-L374 PolarHBondContact O-N 2.73Å; L352-W394 HydrophobicContact CB-CH2 3.95Å; L352-W394 HydrophobicContact CB-CZ3 3.94Å; L352-W394 HydrophobicContact CD2-CH2 4.39Å; L352-W394 HydrophobicContact CD2-CZ3 3.81Å
353E94.5Very high87.8Confident35 Ų3550.5 Ų50.516%0.16427%0.27CS..EExtended strand (participates in β ladder)trans-103.5130.6175.6178.6-170.596.800109.1G308 C309 T355 E371 R373G308-E353 CarbonylContact C-O 3.59Å; G308-E353 WeakPolarHBondContact CA-O 3.25Å; C309-E353 HydrophobicContact CB-CB 4.26Å; C309-E353 PolarHBondContact N-O 2.65Å; C309-E353 PolarHBondContact O-N 2.84Å; E353-T355 HydrophobicContact CG-CG2 4.35Å; E353-E371 HydrophobicContact CG-CG 4.38Å; E353-R373 IonicContact OE2-CZ 3.26Å; E353-R373 IonicContact OE2-NH1 3.13Å; E353-R373 PolarHBondContact OE2-NH1 2.7Å; E353-R373 IonicContact OE2-NH2 2.74Å; E353-R373 PolarHBondContact OE2-NH2 2.95Å
354L95.9Very high87.3Confident1 Ų154.8 Ų54.81%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-124.1112.7178.8-64.7172.2000108.4L255 V257 L286 L352 A372 L409L255-L354 HydrophobicContact CD2-CB 4.11Å; L255-L354 HydrophobicContact CD2-CD1 4.3Å; V257-L354 HydrophobicContact CG1-CD1 4.29Å; L286-L354 HydrophobicContact CD2-CD1 3.99Å; L286-L354 HydrophobicContact CD2-CD2 3.62Å; L286-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CG-CD2 4.45Å; L352-L354 HydrophobicContact CG-CG 4.28Å; L354-A372 PolarHBondContact N-O 3.01Å; L354-A372 PolarHBondContact O-N 2.99Å; L354-L409 HydrophobicContact CD1-CD1 3.57Å
355T95.1Very high87.1Confident9 Ų959.6 Ų59.66%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-113.7128.4179.545.70000110.2V306 K307 E353 W357 L368 E371V306-T355 WeakPolarHBondContact CA-O 3Å; K307-T355 PolarHBondContact N-O 2.87Å; K307-T355 PolarHBondContact O-N 2.75Å; E353-T355 HydrophobicContact CG-CG2 4.35Å; T355-W357 VanDerWaalsContact O-CD1 3.29Å; T355-W357 PolarHBondContact OG1-NE1 3.48Å; T355-L368 HydrophobicContact CG2-CD1 3.92Å; T355-E371 HydrophobicContact CG2-CB 3.95Å; T355-E371 HydrophobicContact CG2-CG 3.65Å; T355-E371 WeakPolarHBondContact CG2-OE2 3.22Å
356V95.3Very high87.3Confident0 Ų059 Ų590%031%0.306CS..EExtended strand (participates in β ladder)trans-95.5131174.5-168.50000108.3L255 L294 V306 W333 L369 G370 L411L255-V356 HydrophobicContact CD1-CG2 4.03Å; L255-V356 HydrophobicContact CD2-CG2 4.14Å; L294-V356 HydrophobicContact CD1-CG1 4.18Å; L294-V356 HydrophobicContact CD2-CG1 4.24Å; V306-V356 HydrophobicContact CG2-CG1 4.36Å; V306-V356 HydrophobicContact CG2-CG2 4.14Å; W333-V356 HydrophobicContact CH2-CG1 3.75Å; W333-V356 HydrophobicContact CZ2-CG1 4.19Å; V356-L369 HydrophobicContact CB-CB 4.43Å; V356-L369 HydrophobicContact CG1-CB 4.45Å; V356-L369 HydrophobicContact CG1-CD1 4.16Å; V356-L369 WeakPolarHBondContact O-CB 3.3Å; V356-L369 PolarHBondContact O-N 2.89Å; V356-G370 PolarHBondContact N-O 2.84Å; V356-G370 PolarHBondContact O-N 2.94Å; V356-L411 HydrophobicContact CB-CD1 4.34Å; V356-L411 HydrophobicContact CG2-CD1 3.72Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.46Å
357W94.5Very high87.3Confident58 Ų5857.9 Ų57.922%0.2230%0.3CS..EExtended strand (participates in β ladder)trans-129.3157.9-175.2-63.376.3000110.9S304 F305 K307 T355 D366 R367 L368S304-W357 CarbonylContact C-O 3.53Å; S304-W357 WeakPolarHBondContact CA-O 3.43Å; F305-W357 HydrophobicContact CD1-CB 4.31Å; F305-W357 HydrophobicContact CD2-CB 3.94Å; F305-W357 HydrophobicContact CD2-CG 4.36Å; F305-W357 HydrophobicContact CE1-CB 3.82Å; F305-W357 HydrophobicContact CE2-CB 3.36Å; F305-W357 AromaticContact CE2-CD1 3.65Å; F305-W357 HydrophobicContact CE2-CD2 4.45Å; F305-W357 AromaticContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CG-CB 4.38Å; F305-W357 HydrophobicContact CZ-CB 3.31Å; F305-W357 HydrophobicContact CZ-CD2 4.43Å; F305-W357 AromaticContact CZ-CG 3.74Å; F305-W357 HydrophobicContact CZ-CG 3.74Å; F305-W357 PolarHBondContact N-O 2.89Å; F305-W357 PolarHBondContact O-N 3.02Å; K307-W357 VanDerWaalsContact NZ-CE2 3.31Å; T355-W357 VanDerWaalsContact O-CD1 3.29Å; T355-W357 PolarHBondContact OG1-NE1 3.48Å; W357-D366 HydrophobicContact CE3-CB 3.78Å; W357-D366 HydrophobicContact CZ3-CB 4.36Å; W357-R367 CarbonylContact C-O 3.58Å; W357-R367 VanDerWaalsContact CA-O 3.31Å; W357-R367 WeakPolarHBondContact CA-O 3.49Å; W357-L368 HydrophobicContact CD2-CB 4.42Å; W357-L368 HydrophobicContact CD2-CD1 4.08Å; W357-L368 HydrophobicContact CE3-CB 4.13Å; W357-L368 HydrophobicContact CG-CD1 4.5Å; W357-L368 HydrophobicContact CH2-CB 4.21Å; W357-L368 HydrophobicContact CH2-CD1 4.43Å; W357-L368 HydrophobicContact CZ2-CB 4.5Å; W357-L368 HydrophobicContact CZ2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CB 4.03Å
358D92.5Very high87.4Confident5 Ų561.9 Ų61.93%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-113.6114.7171.717351.8000109.6R297 L302 N303 A360 R367 L369R297-D358 IonicContact CZ-OD1 3.11Å; R297-D358 IonicContact CZ-OD2 3.13Å; R297-D358 IonicContact NE-OD1 2.65Å; R297-D358 PolarHBondContact NE-OD1 2.89Å; R297-D358 IonicContact NE-OD2 2.71Å; R297-D358 PolarHBondContact NE-OD2 2.74Å; R297-D358 IonicContact NH1-OD1 3.86Å; R297-D358 IonicContact NH2-OD1 3.04Å; R297-D358 PolarHBondContact NH2-OD1 2.89Å; R297-D358 IonicContact NH2-OD2 2.69Å; R297-D358 PolarHBondContact NH2-OD2 2.87Å; L302-D358 HydrophobicContact CD2-CB 3.95Å; N303-D358 PolarHBondContact N-OD1 3.43Å; D358-A360 PolarHBondContact O-N 3.26Å; D358-R367 HydrophobicContact CB-CB 4.23Å; D358-R367 PolarHBondContact N-O 2.94Å; D358-R367 PolarHBondContact O-N 2.94Å; D358-R367 IonicContact OD2-NE 3.02Å; D358-L369 HydrophobicContact CB-CD1 4.02Å; D358-L369 HydrophobicContact CB-CD2 3.71Å; D358-L369 HydrophobicContact CB-CG 3.88Å
359Q92.3Very high87.4Confident64 Ų6455.8 Ų55.830%0.29930%0.298SS..  trans-67.9113.9-179.4179.8172.557.800110.3R297 N303 F305 V324 D366R297-Q359 PolarHBondContact NH2-O 3.28Å; N303-Q359 HydrophobicContact CB-CB 3.93Å; N303-Q359 WeakPolarHBondContact CB-O 3.41Å; N303-Q359 PolarHBondContact ND2-O 3.19Å; N303-Q359 WeakPolarHBondContact O-CB 3.47Å; N303-Q359 PolarHBondContact O-N 3.31Å; F305-Q359 HydrophobicContact CD1-CB 4.03Å; F305-Q359 HydrophobicContact CE1-CB 3.88Å; V324-Q359 HydrophobicContact CG1-CB 3.88Å; Q359-D366 WeakPolarHBondContact CA-OD1 3.5Å
360A84.4Confident87.5Confident25 Ų2549 Ų4921%0.20727%0.266CS..  trans-68.4157.9-177.200000112D358 M364 N365 D366D358-A360 PolarHBondContact O-N 3.26Å; A360-M364 HydrophobicContact CB-CB 3.78Å; A360-M364 WeakPolarHBondContact CB-O 3.06Å; A360-N365 VanDerWaalsContact CB-O 3.27Å; A360-N365 WeakPolarHBondContact CB-O 3.35Å; A360-D366 PolarHBondContact N-OD1 3.43Å
361I77.7Confident87.6Confident101 Ų10151.3 Ų51.352%0.51828%0.276SS..SBendtrans-97129.9-178.8-59.8171.8000107.8
362F67.6Low87.6Confident199 Ų19949.6 Ų49.687%0.87327%0.267SS*.THydrogen-bonded Turntrans43.594.9176.7-66.9-62.5000116.7M364F362-M364 PolarHBondContact O-N 2.76Å
363G62Low87.5Confident90 Ų9054.6 Ų54.693%0.92829%0.285SS*.THydrogen-bonded Turntrans72-7.3164.500000116.7
364M74.8Confident87.3Confident96 Ų9653 Ų5347%0.47328%0.278SS..SBendtrans-80.7156.4172.2-63.8-172.174.800111.8A360 F362A360-M364 HydrophobicContact CB-CB 3.78Å; A360-M364 WeakPolarHBondContact CB-O 3.06Å; F362-M364 PolarHBondContact O-N 2.76Å
365N82.8Confident86.8Confident127 Ų12753.2 Ų53.268%0.67928%0.28SS*.PPolyproline II helixtrans-72140.5174.5-68.2-29.8000111.8A360 R367A360-N365 VanDerWaalsContact CB-O 3.27Å; A360-N365 WeakPolarHBondContact CB-O 3.35Å; N365-R367 PolarHBondContact O-N 2.88Å
366D89.7Confident85.7Confident54 Ų5454.3 Ų54.329%0.28929%0.289SS..PPolyproline II helixtrans-53.8133.6171.2-69.6-20.5000111F305 W357 Q359 A360F305-D366 WeakPolarHBondContact CE1-OD2 3.18Å; F305-D366 HydrophobicContact CZ-CB 4.36Å; F305-D366 WeakPolarHBondContact CZ-OD2 3.43Å; W357-D366 HydrophobicContact CE3-CB 3.78Å; W357-D366 HydrophobicContact CZ3-CB 4.36Å; Q359-D366 WeakPolarHBondContact CA-OD1 3.5Å; A360-D366 PolarHBondContact N-OD1 3.43Å
367R89.3Confident84.3Confident36 Ų3663 Ų6314%0.13633%0.326CS..EExtended strand (participates in β ladder)trans-86.1121.6177.8174.9173.285.2166.413.6109.5D158 S160 P295 V296 W357 D358 N365 L369D158-R367 VanDerWaalsContact CG-NH1 3.29Å; D158-R367 IonicContact OD1-NH1 2.9Å; D158-R367 PolarHBondContact OD1-NH1 3.07Å; D158-R367 IonicContact OD2-CZ 2.78Å; D158-R367 IonicContact OD2-NH1 2.76Å; D158-R367 PolarHBondContact OD2-NH1 2.85Å; D158-R367 IonicContact OD2-NH2 2.72Å; S160-R367 PolarHBondContact OG-NH1 2.88Å; P295-R367 PolarHBondContact O-NH2 2.97Å; V296-R367 VanDerWaalsContact C-NH2 3.3Å; V296-R367 PolarHBondContact O-NH2 3.46Å; W357-R367 CarbonylContact C-O 3.58Å; W357-R367 VanDerWaalsContact CA-O 3.31Å; W357-R367 WeakPolarHBondContact CA-O 3.49Å; D358-R367 HydrophobicContact CB-CB 4.23Å; D358-R367 PolarHBondContact N-O 2.94Å; D358-R367 PolarHBondContact O-N 2.94Å; D358-R367 IonicContact OD2-NE 3.02Å; N365-R367 PolarHBondContact O-N 2.88Å; R367-L369 HydrophobicContact CG-CD2 4.26Å; R367-L369 PolarHBondContact O-N 2.99Å
368L91.1Very high82.3Confident83 Ų8362.5 Ų62.544%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-63.6128.8164.5-178.568.7000108T355 W357T355-L368 HydrophobicContact CG2-CD1 3.92Å; W357-L368 HydrophobicContact CD2-CB 4.42Å; W357-L368 HydrophobicContact CD2-CD1 4.08Å; W357-L368 HydrophobicContact CE3-CB 4.13Å; W357-L368 HydrophobicContact CG-CD1 4.5Å; W357-L368 HydrophobicContact CH2-CB 4.21Å; W357-L368 HydrophobicContact CH2-CD1 4.43Å; W357-L368 HydrophobicContact CZ2-CB 4.5Å; W357-L368 HydrophobicContact CZ2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CB 4.03Å
369L90.1Very high80.2Confident4 Ų464.8 Ų64.82%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-95.2-34.6175.3-62-177.2000111.8N252 L294 P295 L302 V356 D358 R367N252-L369 WeakPolarHBondContact CB-O 3.41Å; N252-L369 VanDerWaalsContact CG-O 3.25Å; N252-L369 PolarHBondContact ND2-O 2.82Å; L294-L369 HydrophobicContact CD1-CD1 4.07Å; P295-L369 HydrophobicContact CG-CB 4.37Å; P295-L369 HydrophobicContact CG-CD2 4.24Å; P295-L369 WeakPolarHBondContact O-CD2 3.44Å; L302-L369 HydrophobicContact CD1-CD1 3.62Å; L302-L369 HydrophobicContact CD2-CD1 3.9Å; L302-L369 HydrophobicContact CD2-CD2 3.96Å; L302-L369 HydrophobicContact CG-CD1 4.3Å; V356-L369 HydrophobicContact CB-CB 4.43Å; V356-L369 HydrophobicContact CG1-CB 4.45Å; V356-L369 HydrophobicContact CG1-CD1 4.16Å; V356-L369 WeakPolarHBondContact O-CB 3.3Å; V356-L369 PolarHBondContact O-N 2.89Å; D358-L369 HydrophobicContact CB-CD1 4.02Å; D358-L369 HydrophobicContact CB-CD2 3.71Å; D358-L369 HydrophobicContact CB-CG 3.88Å; R367-L369 HydrophobicContact CG-CD2 4.26Å; R367-L369 PolarHBondContact O-N 2.99Å
370G90.8Very high77.7Confident0 Ų066.7 Ų66.70%039%0.39CS..EExtended strand (participates in β ladder)trans171.2170.8172.600000113.3V356 H412V356-G370 PolarHBondContact N-O 2.84Å; V356-G370 PolarHBondContact O-N 2.94Å; G370-H412 CarbonylContact C-O 3.56Å; G370-H412 WeakPolarHBondContact CA-O 3.34Å
371E93.3Very high75.3Confident50 Ų5070.9 Ų70.923%0.23443%0.425CS..EExtended strand (participates in β ladder)trans-131.9140.8-171.9-176.4178.9104.100113.2E353 T355 R373 L411 H412E353-E371 HydrophobicContact CG-CG 4.38Å; T355-E371 HydrophobicContact CG2-CB 3.95Å; T355-E371 HydrophobicContact CG2-CG 3.65Å; T355-E371 WeakPolarHBondContact CG2-OE2 3.22Å; E371-R373 IonicContact OE1-CZ 3.2Å; E371-R373 IonicContact OE1-NE 3.66Å; E371-R373 PolarHBondContact OE1-NE 3.23Å; E371-R373 IonicContact OE1-NH2 2.73Å; E371-R373 PolarHBondContact OE1-NH2 3.04Å; E371-R373 IonicContact OE2-NH2 3.48Å; E371-R373 PolarHBondContact OE2-NH2 2.98Å; E371-R373 VanDerWaalsContact OE2-NH2 3.13Å; E371-L411 WeakPolarHBondContact O-CA 3.23Å; E371-H412 PolarHBondContact N-O 3.25Å; E371-H412 PolarHBondContact O-N 2.92Å
372A92.4Very high73.7Confident4 Ų469.2 Ų69.23%0.03343%0.433CS..EExtended strand (participates in β ladder)trans-124.9143.9165.700000111.2L354 L409 L411L354-A372 PolarHBondContact N-O 3.01Å; L354-A372 PolarHBondContact O-N 2.99Å; A372-L409 HydrophobicContact CB-CB 3.73Å; A372-L409 HydrophobicContact CB-CD1 3.87Å; A372-L409 HydrophobicContact CB-CG 4.38Å; A372-L411 HydrophobicContact CB-CD2 4.09Å
373R91.4Very high72.5Confident105 Ų10562.1 Ų62.140%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-123131.6176.3-64.7-178.9-178.8-82.2-14.9110.7E353 E371 S390E353-R373 IonicContact OE2-CZ 3.26Å; E353-R373 IonicContact OE2-NH1 3.13Å; E353-R373 PolarHBondContact OE2-NH1 2.7Å; E353-R373 IonicContact OE2-NH2 2.74Å; E353-R373 PolarHBondContact OE2-NH2 2.95Å; E371-R373 IonicContact OE1-CZ 3.2Å; E371-R373 IonicContact OE1-NE 3.66Å; E371-R373 PolarHBondContact OE1-NE 3.23Å; E371-R373 IonicContact OE1-NH2 2.73Å; E371-R373 PolarHBondContact OE1-NH2 3.04Å; E371-R373 IonicContact OE2-NH2 3.48Å; E371-R373 PolarHBondContact OE2-NH2 2.98Å; E371-R373 VanDerWaalsContact OE2-NH2 3.13Å; R373-S390 WeakPolarHBondContact O-CB 3.48Å; R373-S390 PolarHBondContact O-OG 3.29Å; R373-S390 VanDerWaalsContact O-OG 3.14Å
374L90.4Very high71.7Confident1 Ų162.8 Ų62.81%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-117131.4171.2-70.9171.1000108.7T351 L352 S390 Q393 W394 M407 L409T351-L374 CarbonylContact C-O 3.57Å; T351-L374 WeakPolarHBondContact CA-O 3.44Å; L352-L374 HydrophobicContact CB-CB 4.34Å; L352-L374 HydrophobicContact CD2-CD1 4.25Å; L352-L374 PolarHBondContact N-O 2.8Å; L352-L374 PolarHBondContact O-N 2.73Å; L374-S390 VanDerWaalsContact CD2-O 3.29Å; L374-S390 WeakPolarHBondContact CD2-O 3.36Å; L374-Q393 HydrophobicContact CD2-CB 4.03Å; L374-W394 HydrophobicContact CB-CB 4.39Å; L374-W394 HydrophobicContact CB-CD2 4.24Å; L374-W394 HydrophobicContact CB-CE3 3.76Å; L374-W394 HydrophobicContact CB-CZ3 4.38Å; L374-W394 HydrophobicContact CD1-CE3 4.42Å; L374-M407 HydrophobicContact CD1-CE 3.75Å; L374-M407 HydrophobicContact CD1-SD 4.38Å; L374-L409 HydrophobicContact CD1-CD1 4.18Å; L374-L409 HydrophobicContact CD1-CD2 4.15Å; L374-L409 HydrophobicContact CD2-CD2 3.83Å; L374-L409 HydrophobicContact CG-CD1 4.5Å; L374-L409 HydrophobicContact CG-CD2 4.13Å
375G86.2Confident70.6Confident6 Ų663.5 Ų63.56%0.06240%0.402CS..EExtended strand (participates in β ladder)trans177.3168.6-176.700000113.6W394G375-W394 VanDerWaalsContact C-CD1 3.46Å
376S71.6Confident69Low33 Ų3359.5 Ų59.523%0.23138%0.383CS..SBendtrans-81.7-31.2178-177.40000112.8R348 K391R348-S376 WeakPolarHBondContact O-CB 2.82Å; R348-S376 PolarHBondContact O-OG 2.67Å; S376-K391 WeakPolarHBondContact O-CD 3.27Å; S376-K391 VanDerWaalsContact O-CE 3.3Å; S376-K391 WeakPolarHBondContact O-CE 3.35Å; S376-K391 PolarHBondContact O-NZ 3.39Å
377K66.2Low67.5Low182 Ų18258 Ų5879%0.79138%0.38SS*.SBendtrans-81.7123169.7-163.4171.2-173.9176.60108
378G52.1Low66.3Low47 Ų4759 Ų5949%0.48539%0.393SS..PPolyproline II helixtrans-60157.6178.700000112
379G48.5Very low65.7Low53 Ų5359.7 Ų59.755%0.54639%0.394SS..PPolyproline II helixtrans-59165.5173.300000112.5
380A39.5Very low65.2Low104 Ų10460.9 Ų60.986%0.8640%0.403SS*.SBendtrans-57.4150.2176.200000111.4G382A380-G382 PolarHBondContact O-N 3.02Å
381A35.1Very low64.8Low113 Ų11364.7 Ų64.793%0.93442%0.419SS*.SBendtrans-58.6127.7-174.800000111.6
382G44Very low64.5Low67 Ų6767 Ų6769%0.69143%0.432SS*.SBendtrans174.4-35.7179.700000113.9A380A380-G382 PolarHBondContact O-N 3.02Å
383C42Very low64.4Low49 Ų4967.5 Ų67.533%0.33143%0.434SS..  trans-147.3129.8174-175.20000110.7
384P45.2Very low64.3Low104 Ų10462.6 Ų62.668%0.67542%0.416SS*.Hα-helixtrans-69.6-34.7179.127.1-33.1000112.7S388P384-S388 PolarHBondContact O-N 2.87Å
385D51.1Low64.3Low112 Ų11265.7 Ų65.760%0.59943%0.43SS*.Hα-helixtrans-81.3-43.8-163.8-56.8-33.1000113.2G387 S388 Q389D385-G387 VanDerWaalsContact C-N 3.34Å; D385-G387 PolarHBondContact O-N 3.41Å; D385-S388 WeakPolarHBondContact O-CB 3.23Å; D385-S388 PolarHBondContact O-N 2.8Å; D385-S388 VanDerWaalsContact O-N 3.09Å; D385-S388 PolarHBondContact O-OG 3.05Å; D385-Q389 PolarHBondContact O-N 2.99Å; D385-Q389 VanDerWaalsContact O-N 3.15Å
386S50.4Low64.5Low42 Ų4272.4 Ų72.429%0.29445%0.454SS..Hα-helixtrans-64.7-38.8179.662.10000112.1S388 Q389 S390S386-S388 PolarHBondContact O-N 2.96Å; S386-Q389 PolarHBondContact O-N 2.81Å; S386-S390 PolarHBondContact O-N 2.81Å
387G57Low65.4Low22 Ų2270.8 Ų70.823%0.22744%0.443CS..Hα-helixtrans-60.7-32.9172.900000113D385 K391D385-G387 VanDerWaalsContact C-N 3.34Å; D385-G387 PolarHBondContact O-N 3.41Å; G387-K391 VanDerWaalsContact O-CB 3.28Å; G387-K391 WeakPolarHBondContact O-CB 3.48Å; G387-K391 PolarHBondContact O-N 2.97Å
388S65.1Low66.5Low59 Ų5962.7 Ų62.741%0.41341%0.408SS..Hα-helixtrans-70.3-45.6175.985.50000112P384 D385 S386 K391 L392P384-S388 PolarHBondContact O-N 2.87Å; D385-S388 WeakPolarHBondContact O-CB 3.23Å; D385-S388 PolarHBondContact O-N 2.8Å; D385-S388 VanDerWaalsContact O-N 3.09Å; D385-S388 PolarHBondContact O-OG 3.05Å; S386-S388 PolarHBondContact O-N 2.96Å; S388-K391 PolarHBondContact O-N 3.11Å; S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 VanDerWaalsContact O-CG 3.31Å; S388-L392 WeakPolarHBondContact O-CG 3.29Å; S388-L392 PolarHBondContact O-N 3.25Å
389Q77.9Confident68.3Low97 Ų9764.9 Ų64.945%0.45342%0.416SS..Hα-helixtrans-65.4-49.3-175.1-169.6-174.762.500111.5D385 S386 K391 L392 Q393D385-Q389 PolarHBondContact O-N 2.99Å; D385-Q389 VanDerWaalsContact O-N 3.15Å; S386-Q389 PolarHBondContact O-N 2.81Å; Q389-K391 VanDerWaalsContact C-N 3.29Å; Q389-K391 PolarHBondContact O-N 3.12Å; Q389-L392 PolarHBondContact O-N 3.27Å; Q389-Q393 WeakPolarHBondContact O-CB 3.18Å; Q389-Q393 WeakPolarHBondContact O-CG 3.39Å; Q389-Q393 PolarHBondContact O-N 3.26Å
390S79.9Confident70.2Confident28 Ų2864.4 Ų64.420%0.19640%0.404CS..Hα-helixtrans-61.1-37.1177.4-71.90000112.7R373 L374 S386 W394R373-S390 WeakPolarHBondContact O-CB 3.48Å; R373-S390 PolarHBondContact O-OG 3.29Å; R373-S390 VanDerWaalsContact O-OG 3.14Å; L374-S390 VanDerWaalsContact CD2-O 3.29Å; L374-S390 WeakPolarHBondContact CD2-O 3.36Å; S386-S390 PolarHBondContact O-N 2.81Å; S390-W394 WeakPolarHBondContact O-CB 3.02Å; S390-W394 PolarHBondContact O-N 3.24Å
391K82.7Confident72.5Confident81 Ų8162.1 Ų62.135%0.35238%0.38SS..Hα-helixtrans-68.4-45.5176.5178162.9179.4161.10111.7S376 G387 S388 Q389 Q393 W394 H395S376-K391 WeakPolarHBondContact O-CD 3.27Å; S376-K391 VanDerWaalsContact O-CE 3.3Å; S376-K391 WeakPolarHBondContact O-CE 3.35Å; S376-K391 PolarHBondContact O-NZ 3.39Å; G387-K391 VanDerWaalsContact O-CB 3.28Å; G387-K391 WeakPolarHBondContact O-CB 3.48Å; G387-K391 PolarHBondContact O-N 2.97Å; S388-K391 PolarHBondContact O-N 3.11Å; Q389-K391 VanDerWaalsContact C-N 3.29Å; Q389-K391 PolarHBondContact O-N 3.12Å; K391-Q393 VanDerWaalsContact C-N 3.35Å; K391-Q393 PolarHBondContact O-N 3.1Å; K391-W394 PolarHBondContact O-N 2.85Å; K391-H395 VanDerWaalsContact CE-NE2 3.32Å; K391-H395 WeakPolarHBondContact CE-NE2 3.06Å; K391-H395 PolarHBondContact O-CD2 3.22Å; K391-H395 PolarHBondContact O-N 3Å
392L86.8Confident75.2Confident97 Ų9760.1 Ų60.151%0.50835%0.354SS..Hα-helixtrans-60.5-43.8175.7-74.5165.8000111.6S388 Q389 H395 R396S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 VanDerWaalsContact O-CG 3.31Å; S388-L392 WeakPolarHBondContact O-CG 3.29Å; S388-L392 PolarHBondContact O-N 3.25Å; Q389-L392 PolarHBondContact O-N 3.27Å; L392-H395 PolarHBondContact O-N 2.93Å; L392-R396 WeakPolarHBondContact O-CG 3.42Å; L392-R396 PolarHBondContact O-N 3.04Å
393Q88.6Confident77.5Confident16 Ų1662.2 Ų62.28%0.07535%0.349CS..Hα-helixtrans-59.8-48.5174.5-78.5179.9-0.700111.8L374 Q389 K391 H395 R396 V397 M407 T408L374-Q393 HydrophobicContact CD2-CB 4.03Å; Q389-Q393 WeakPolarHBondContact O-CB 3.18Å; Q389-Q393 WeakPolarHBondContact O-CG 3.39Å; Q389-Q393 PolarHBondContact O-N 3.26Å; K391-Q393 VanDerWaalsContact C-N 3.35Å; K391-Q393 PolarHBondContact O-N 3.1Å; Q393-H395 PolarHBondContact O-N 2.96Å; Q393-R396 PolarHBondContact O-N 2.89Å; Q393-V397 PolarHBondContact O-N 3.22Å; Q393-M407 HydrophobicContact CB-CG 4.3Å; Q393-M407 HydrophobicContact CB-SD 3.73Å; Q393-M407 HydrophobicContact CG-CG 4.25Å; Q393-M407 HydrophobicContact CG-SD 4.33Å; Q393-T408 PolarHBondContact NE2-O 3.4Å
394W90.6Very high80Confident1 Ų165.7 Ų65.70%0.00436%0.355CS..Hα-helixtrans-59.3-44.1175.8-171-117.6000112.2L284 L310 L347 L352 L374 G375 S390 K391 R396 V397 L398L284-W394 HydrophobicContact CD2-CH2 3.64Å; L284-W394 HydrophobicContact CD2-CZ3 4.07Å; L310-W394 HydrophobicContact CD1-CH2 4.32Å; L347-W394 HydrophobicContact CB-CZ2 4.47Å; L347-W394 HydrophobicContact CD2-CH2 4.36Å; L347-W394 HydrophobicContact CD2-CZ2 4.25Å; L347-W394 PolarHBondContact O-NE1 3.28Å; L347-W394 VanDerWaalsContact O-NE1 3.14Å; L352-W394 HydrophobicContact CB-CH2 3.95Å; L352-W394 HydrophobicContact CB-CZ3 3.94Å; L352-W394 HydrophobicContact CD2-CH2 4.39Å; L352-W394 HydrophobicContact CD2-CZ3 3.81Å; L374-W394 HydrophobicContact CB-CB 4.39Å; L374-W394 HydrophobicContact CB-CD2 4.24Å; L374-W394 HydrophobicContact CB-CE3 3.76Å; L374-W394 HydrophobicContact CB-CZ3 4.38Å; L374-W394 HydrophobicContact CD1-CE3 4.42Å; G375-W394 VanDerWaalsContact C-CD1 3.46Å; S390-W394 WeakPolarHBondContact O-CB 3.02Å; S390-W394 PolarHBondContact O-N 3.24Å; K391-W394 PolarHBondContact O-N 2.85Å; W394-R396 PolarHBondContact O-N 3.37Å; W394-V397 PolarHBondContact O-N 2.73Å; W394-L398 WeakPolarHBondContact O-CG 3.19Å; W394-L398 PolarHBondContact O-N 2.89Å
395H89.8Confident82.3Confident67 Ų6761.7 Ų61.731%0.3133%0.329SS..Hα-helixtrans-61.3-39.7175.8-80.1-68.4000112.9K391 L392 Q393 V397 L398 S399K391-H395 VanDerWaalsContact CE-NE2 3.32Å; K391-H395 WeakPolarHBondContact CE-NE2 3.06Å; K391-H395 PolarHBondContact O-CD2 3.22Å; K391-H395 PolarHBondContact O-N 3Å; L392-H395 PolarHBondContact O-N 2.93Å; Q393-H395 PolarHBondContact O-N 2.96Å; H395-V397 VanDerWaalsContact C-N 3.35Å; H395-V397 PolarHBondContact O-N 3.02Å; H395-L398 PolarHBondContact O-N 2.76Å; H395-S399 WeakPolarHBondContact O-CB 3.49Å; H395-S399 PolarHBondContact O-N 3.49Å; H395-S399 PolarHBondContact O-OG 3.39Å
396R90.1Very high84.3Confident146 Ų14660.5 Ų60.555%0.55132%0.322SS*.Hα-helixtrans-57.7-45.3174.7-68.8172.1-162.1-179.43.7111.9L392 Q393 W394 L398 S399 S400 T405L392-R396 WeakPolarHBondContact O-CG 3.42Å; L392-R396 PolarHBondContact O-N 3.04Å; Q393-R396 PolarHBondContact O-N 2.89Å; W394-R396 PolarHBondContact O-N 3.37Å; R396-L398 VanDerWaalsContact C-N 3.29Å; R396-L398 PolarHBondContact O-N 3.48Å; R396-S399 PolarHBondContact O-N 3.42Å; R396-S400 VanDerWaalsContact O-CB 3.32Å; R396-S400 WeakPolarHBondContact O-CB 3.44Å; R396-S400 PolarHBondContact O-N 3.05Å; R396-S400 PolarHBondContact O-OG 3.16Å; R396-T405 HydrophobicContact CB-CG2 4.02Å
397V91.1Very high86.4Confident0 Ų058.9 Ų58.90%031%0.31CS..Hα-helixtrans-60.2-37.8178-179.60000112.1A259 L284 Q393 W394 H395 T405 M407A259-V397 HydrophobicContact CB-CG1 3.86Å; A259-V397 HydrophobicContact CB-CG2 3.73Å; L284-V397 HydrophobicContact CD1-CG1 4.09Å; Q393-V397 PolarHBondContact O-N 3.22Å; W394-V397 PolarHBondContact O-N 2.73Å; H395-V397 VanDerWaalsContact C-N 3.35Å; H395-V397 PolarHBondContact O-N 3.02Å; V397-T405 HydrophobicContact CG2-CG2 4.11Å; V397-M407 HydrophobicContact CG2-CE 3.96Å; V397-M407 HydrophobicContact CG2-SD 3.64Å
398L89.9Confident88.1Confident12 Ų1261 Ų616%0.06332%0.319CS..Hα-helixtrans-83.7-27.6-178.9-58.5-175.3000113.8L261 L347 R348 W394 H395 R396L261-L398 HydrophobicContact CD2-CD2 3.88Å; L347-L398 HydrophobicContact CB-CD1 4.25Å; L347-L398 HydrophobicContact CB-CD2 3.71Å; L347-L398 HydrophobicContact CD1-CD2 4.01Å; L347-L398 HydrophobicContact CG-CD2 4.47Å; R348-L398 HydrophobicContact CB-CD1 4.5Å; R348-L398 HydrophobicContact CG-CD1 3.82Å; W394-L398 WeakPolarHBondContact O-CG 3.19Å; W394-L398 PolarHBondContact O-N 2.89Å; H395-L398 PolarHBondContact O-N 2.76Å; R396-L398 VanDerWaalsContact C-N 3.29Å; R396-L398 PolarHBondContact O-N 3.48Å
399S89Confident89.3Confident93 Ų9358.3 Ų58.365%0.6530%0.3SS*.Hα-helixtrans-85.4-14.9177-69.40000113.6H395 R396 P401H395-S399 WeakPolarHBondContact O-CB 3.49Å; H395-S399 PolarHBondContact O-N 3.49Å; H395-S399 PolarHBondContact O-OG 3.39Å; R396-S399 PolarHBondContact O-N 3.42Å; S399-P401 WeakPolarHBondContact O-CD 3.43Å
400S88.9Confident89.9Confident43 Ų4356 Ų5630%0.30129%0.292SS..SBendtrans-115.661.3178.1-57.30000111.7R396 L403R396-S400 VanDerWaalsContact O-CB 3.32Å; R396-S400 WeakPolarHBondContact O-CB 3.44Å; R396-S400 PolarHBondContact O-N 3.05Å; R396-S400 PolarHBondContact O-OG 3.16Å; S400-L403 PolarHBondContact O-N 3.3Å
401P88Confident90.3Very high55 Ų5554.7 Ų54.736%0.35728%0.283SS..THydrogen-bonded Turntrans-60.3149.3179.728.5-35.8000111.3L263 S399 L403L263-P401 HydrophobicContact CD1-CB 3.74Å; L263-P401 HydrophobicContact CD1-CG 4.39Å; L263-P401 HydrophobicContact CG-CB 4.12Å; S399-P401 WeakPolarHBondContact O-CD 3.43Å; P401-L403 PolarHBondContact O-N 2.9Å
402N90.3Very high90.3Very high72 Ų7255 Ų5539%0.38529%0.286SS..THydrogen-bonded Turntrans61.1-2.5-175.1-63.9-40.9000116.3K260 L261 V262 L263K260-N402 WeakPolarHBondContact CE-O 3.47Å; K260-N402 PolarHBondContact NZ-O 2.84Å; L261-N402 PolarHBondContact O-N 2.65Å; V262-N402 WeakPolarHBondContact CA-OD1 3.38Å; L263-N402 PolarHBondContact N-OD1 3.31Å; L263-N402 VanDerWaalsContact N-OD1 3.12Å; L263-N402 PolarHBondContact O-ND2 2.78Å
403L93.3Very high90.5Very high111 Ų11153 Ų5358%0.58128%0.275SS*.SBendtrans-96.5160170.5-63.4174.6000111.7K260 S400 P401K260-L403 WeakPolarHBondContact CA-O 3.17Å; K260-L403 WeakPolarHBondContact CB-O 3.45Å; K260-L403 VanDerWaalsContact CG-O 3.25Å; K260-L403 WeakPolarHBondContact CG-O 3.42Å; S400-L403 PolarHBondContact O-N 3.3Å; P401-L403 PolarHBondContact O-N 2.9Å
404W94.1Very high90.6Very high122 Ų12254.9 Ų54.946%0.46229%0.285SS..  trans-95.4132171.8-72.9114.6000110R258 K260 C285 V287R258-W404 HydrophobicContact CG-CB 4.15Å; R258-W404 HydrophobicContact CG-CD2 3.87Å; R258-W404 HydrophobicContact CG-CE3 3.35Å; R258-W404 HydrophobicContact CG-CG 4.25Å; R258-W404 HydrophobicContact CG-CZ3 3.96Å; K260-W404 HydrophobicContact CB-CD2 3.7Å; K260-W404 HydrophobicContact CB-CE3 3.25Å; K260-W404 HydrophobicContact CB-CG 4.4Å; K260-W404 HydrophobicContact CB-CH2 4.2Å; K260-W404 HydrophobicContact CB-CZ3 3.54Å; K260-W404 HydrophobicContact CD-CD2 3.84Å; K260-W404 HydrophobicContact CD-CE3 4.26Å; K260-W404 HydrophobicContact CD-CG 4.18Å; K260-W404 HydrophobicContact CD-CZ2 4.24Å; K260-W404 HydrophobicContact CG-CD2 4.44Å; K260-W404 HydrophobicContact CG-CE3 4.38Å; C285-W404 HydrophobicContact CB-CH2 3.94Å; C285-W404 HydrophobicContact CB-CZ3 4.14Å; V287-W404 HydrophobicContact CG2-CH2 3.82Å; V287-W404 HydrophobicContact CG2-CZ3 3.97Å
405T93.8Very high90.6Very high20 Ų2057.9 Ų57.912%0.12330%0.301CS..EExtended strand (participates in β ladder)trans-115.7121.2175.9-58.30000109.4R258 A259 R396 V397 M407R258-T405 WeakPolarHBondContact CA-O 3.21Å; A259-T405 PolarHBondContact N-O 3.28Å; A259-T405 PolarHBondContact O-N 3.01Å; R396-T405 HydrophobicContact CB-CG2 4.02Å; V397-T405 HydrophobicContact CG2-CG2 4.11Å; T405-M407 HydrophobicContact CG2-CG 4.06Å; T405-M407 HydrophobicContact CG2-SD 4.35Å
406D94Very high90.7Very high86 Ų8657.4 Ų57.446%0.4630%0.3SS..EExtended strand (participates in β ladder)trans-90.5136.7177.9-72.15000110.8R258R258-D406 WeakPolarHBondContact CB-OD1 3.26Å; R258-D406 VanDerWaalsContact CG-OD1 3.29Å; R258-D406 WeakPolarHBondContact CG-OD1 3.48Å; R258-D406 IonicContact CZ-OD1 3.47Å; R258-D406 IonicContact CZ-OD2 3.55Å; R258-D406 IonicContact NE-OD1 2.69Å; R258-D406 PolarHBondContact NE-OD1 3.49Å; R258-D406 IonicContact NE-OD2 3.53Å; R258-D406 IonicContact NH2-OD1 3.4Å; R258-D406 PolarHBondContact NH2-OD1 2.98Å; R258-D406 IonicContact NH2-OD2 2.72Å; R258-D406 PolarHBondContact NH2-OD2 2.86Å
407M92.9Very high90.7Very high9 Ų951.8 Ų51.84%0.04428%0.284CS..EExtended strand (participates in β ladder)trans-143135-171.1-55.3179.6-60.200109.8V257 A259 L374 Q393 V397 T405 L409V257-M407 HydrophobicContact CG2-CB 3.97Å; V257-M407 HydrophobicContact CG2-CE 3.69Å; V257-M407 PolarHBondContact N-O 2.93Å; V257-M407 PolarHBondContact O-N 2.99Å; A259-M407 HydrophobicContact CB-CE 3.56Å; L374-M407 HydrophobicContact CD1-CE 3.75Å; L374-M407 HydrophobicContact CD1-SD 4.38Å; Q393-M407 HydrophobicContact CB-CG 4.3Å; Q393-M407 HydrophobicContact CB-SD 3.73Å; Q393-M407 HydrophobicContact CG-CG 4.25Å; Q393-M407 HydrophobicContact CG-SD 4.33Å; V397-M407 HydrophobicContact CG2-CE 3.96Å; V397-M407 HydrophobicContact CG2-SD 3.64Å; T405-M407 HydrophobicContact CG2-CG 4.06Å; T405-M407 HydrophobicContact CG2-SD 4.35Å; M407-L409 HydrophobicContact CB-CD2 4.37Å
408T92.5Very high90.7Very high66 Ų6655.3 Ų55.341%0.40530%0.303SS..EExtended strand (participates in β ladder)trans-105.6129.1164.4-56.50000107.5E254 Q393E254-T408 HydrophobicContact CB-CG2 3.93Å; E254-T408 HydrophobicContact CG-CG2 4.27Å; Q393-T408 PolarHBondContact NE2-O 3.4Å
409L91.5Very high90.7Very high2 Ų258.4 Ų58.41%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-110.5127.4-178.7-50.5178.7000108.8E254 L255 V257 L354 A372 L374 M407E254-L409 CarbonylContact C-O 3.51Å; E254-L409 VanDerWaalsContact CA-O 3.3Å; E254-L409 WeakPolarHBondContact CA-O 3.11Å; L255-L409 HydrophobicContact CB-CB 4.44Å; L255-L409 PolarHBondContact N-O 2.85Å; L255-L409 PolarHBondContact O-N 3.27Å; V257-L409 HydrophobicContact CG1-CD1 4.33Å; V257-L409 HydrophobicContact CG2-CD1 3.93Å; V257-L409 HydrophobicContact CG2-CG 4.17Å; L354-L409 HydrophobicContact CD1-CD1 3.57Å; A372-L409 HydrophobicContact CB-CB 3.73Å; A372-L409 HydrophobicContact CB-CD1 3.87Å; A372-L409 HydrophobicContact CB-CG 4.38Å; L374-L409 HydrophobicContact CD1-CD1 4.18Å; L374-L409 HydrophobicContact CD1-CD2 4.15Å; L374-L409 HydrophobicContact CD2-CD2 3.83Å; L374-L409 HydrophobicContact CG-CD1 4.5Å; L374-L409 HydrophobicContact CG-CD2 4.13Å; M407-L409 HydrophobicContact CB-CD2 4.37Å
410V89.6Confident90.9Very high49 Ų4955.7 Ų55.730%0.29730%0.295SS..EExtended strand (participates in β ladder)trans-70.2134.5165.4-177.60000108.1
411L89Confident91Very high0 Ų056.8 Ų56.80%030%0.295CS..  trans-91.6131.4172-63.1169.5000108.9N252 G253 L255 L294 V356 E371 A372N252-L411 HydrophobicContact CB-CB 3.95Å; N252-L411 PolarHBondContact N-O 2.93Å; G253-L411 WeakPolarHBondContact O-CB 3.42Å; G253-L411 PolarHBondContact O-N 2.88Å; L255-L411 HydrophobicContact CB-CD1 4.28Å; L255-L411 HydrophobicContact CB-CD2 4.02Å; L255-L411 HydrophobicContact CB-CG 4.2Å; L255-L411 HydrophobicContact CD2-CD2 4.45Å; L294-L411 HydrophobicContact CD2-CD1 3.48Å; L294-L411 VanDerWaalsContact CD2-CD1 3.48Å; V356-L411 HydrophobicContact CB-CD1 4.34Å; V356-L411 HydrophobicContact CG2-CD1 3.72Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.46Å; E371-L411 WeakPolarHBondContact O-CA 3.23Å; A372-L411 HydrophobicContact CB-CD2 4.09Å
412H83.3Confident91.3Very high89 Ų8956.9 Ų56.941%0.41229%0.289SS..  trans-105.40173.5-63.7-47.9000112.1Q250 N252 G370 E371Q250-H412 WeakPolarHBondContact O-CA 3.49Å; Q250-H412 PolarHBondContact O-ND1 3.35Å; N252-H412 PolarHBondContact ND2-O 2.88Å; N252-H412 PolarHBondContact ND2-OXT 3.42Å; G370-H412 CarbonylContact C-O 3.56Å; G370-H412 WeakPolarHBondContact CA-O 3.34Å; E371-H412 PolarHBondContact N-O 3.25Å; E371-H412 PolarHBondContact O-N 2.92Å

Retrieved 412 of 412 residues in 1203.9 ms (Link to these results)