A0A5K4F6Y3_SCHMA Loading...

18 kDa Sin3-associated polypeptide

AlphaFold DB , UniProt , Accession A0A5K4F6Y3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.6Very low51.1Low243 Ų243166.1 Ų166.1100%1.19786%0.861SS**  0131.50-84.7164.3145.700107.5
2E48.4Very low51.1Low198 Ų198166.9 Ų166.993%0.92587%0.866SS**  trans63.3112.1172.7-94.9171.5135.400121.7
3N45.7Very low50.9Low154 Ų154163.2 Ų163.282%0.82485%0.854SS**  trans-96126.7172.6-65-38.3000109.3
4G56.8Low51.4Low79 Ų79167.9 Ų167.981%0.81486%0.855SS**  trans-93.5106.2168.200000111.3
5R52.1Low51.4Low217 Ų217164.8 Ų164.882%0.81985%0.85SS**  trans-84.7125176.8-69.7174.2173.7137.8-3.8110.3
6N56.3Low51.7Low166 Ų166163.1 Ų163.189%0.88885%0.849SS**  trans-115.2106164-59.93.1000107.8
7T53.6Low52.2Low107 Ų107159 Ų15966%0.65684%0.838SS**  trans-108.3149.2177.850.40000110.3
8N46Very low51.9Low127 Ų127157.3 Ų157.368%0.67984%0.838SS**  trans77.193.7151.5-54.7-38.3000119.9
9L51Low51.6Low185 Ų185157.3 Ų157.397%0.96984%0.837SS**  -135.193.5129.6-76.9177.5000108.9
10R49.2Very low51.7Low236 Ų236155.8 Ų155.889%0.89184%0.839SS**  trans-83.5109.6167.3-77.6179.9169.1-132.7-1.5107.9
11S59.2Low51.6Low115 Ų115159.5 Ų159.580%0.80484%0.841SS**PPolyproline II helixtrans-78.2135162.861.90000109.7
12L51.9Low51.7Low176 Ų176159.8 Ų159.892%0.92183%0.829SS**PPolyproline II helixtrans-57.4129.2-171.5-74.9146000113.7
13V48.3Very low52Low118 Ų118159.7 Ų159.772%0.71583%0.829SS**PPolyproline II helixtrans-62.1138.7165.7170.40000110.5
14R57.6Low52.9Low230 Ų230162 Ų16287%0.86883%0.832SS**  -173.2120.7116.3-94.7166.7-163.2157.34.3111.2
15P51.5Low53.2Low121 Ų121163.6 Ų163.679%0.78683%0.828SS**  trans-77.6132.8167.532-30000109.3
16V56.3Low53.4Low137 Ų137159.3 Ų159.383%0.8383%0.828SS**  trans-107.3115.4173-165.70000107.7
17S59.6Low53.9Low94 Ų94159.5 Ų159.566%0.65783%0.828SS**  trans-70.5138.2175.844.40000111.3L19S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.47Å
18P46.7Very low54.2Low129 Ų129160 Ų16084%0.83883%0.833SS**  trans-91.169173.835.6-30000109.8
19L46.8Very low54.2Low157 Ų157161.2 Ų161.282%0.82284%0.838SS**  trans-136.770.7172.1-103.6107.8000110.6S17S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 3.47Å
20S52.9Low54.5Low126 Ų126160.2 Ų160.288%0.88183%0.834SS**  trans-177.580.8159.5-93.60000109.9
21R49.8Very low54.3Low235 Ų235154.9 Ų154.989%0.88783%0.827SS**  trans-145.553.1167.2-164.1173.9-82.5-143.2-2.1110.3
22W46.4Very low53.8Low249 Ų249153.1 Ų153.194%0.94382%0.82SS**  trans-137.273.1171.7-76.392.8000109.3
23Q54.1Low53.7Low195 Ų195151.6 Ų151.691%0.91181%0.813SS**  trans-159.1107.6159.3-115.1170.8-26.100108.5
24K64.4Low53.8Low203 Ų203152.7 Ų152.788%0.88382%0.815SS**PPolyproline II helixtrans-84.9135166.4-69.4175.8179.4175.50107.5
25P63.6Low53.5Low113 Ų113152 Ų15273%0.73481%0.813SS**PPolyproline II helixtrans-77.4148.316931.5-30.9000110.4
26P57.3Low53.6Low126 Ų126152.7 Ų152.782%0.81881%0.811SS**PPolyproline II helixtrans-80.3142.5174.632.8-30.4000110.7
27L66.2Low53.4Low170 Ų170153 Ų15389%0.8981%0.808SS**PPolyproline II helixtrans-84.3144.4171.6-67.2173000110.4
28P60Low52.8Low119 Ų119151.4 Ų151.477%0.77381%0.806SS**PPolyproline II helixtrans-83.5147.2174.630-24.5000112.3
29I45.9Very low52.8Low151 Ų151152.8 Ų152.877%0.77481%0.806SS**PPolyproline II helixtrans-74.4132.4171.4-104.7153.2000108.6
30D56.3Low52.7Low165 Ų165153.5 Ų153.588%0.88281%0.805SS**  trans-126.1136158.2-85.5-36.5000109
31T45Very low52.6Low123 Ų123154.2 Ų154.276%0.75580%0.798SS**  trans-110.1166.8-174.1-32.10000107.2
32A48.9Very low52.3Low79 Ų79153.7 Ų153.765%0.65380%0.796SS**  trans82141174.400000115.6
33D50.1Low52.2Low144 Ų144153.9 Ų153.977%0.7780%0.796SS**  cis-170.2168.1-6.5-92.3-30.7000106.2
34D50Low51.7Low141 Ų141156.9 Ų156.975%0.75480%0.799SS**  trans80106153.3-78.4-21.6000123.7
35Y52.4Low50.7Low214 Ų214151 Ų15184%0.83980%0.797SS**  33.1125.2118.6-74.1-84.3000122.1
36D53.5Low49.5Very low137 Ų137148.9 Ų148.973%0.73380%0.795SS**  126.9139.9115-149.229.2000118.1
37D52.6Low49.3Very low144 Ų144152.7 Ų152.777%0.7780%0.799SS**  trans46.1130.5163-95.6-25.1000120.3
38G46.8Very low48.3Very low59 Ų59151.6 Ų151.661%0.60879%0.794SS**  cis99.29044.200000109.1
39D46.8Very low48Very low159 Ų159155 Ų15585%0.8580%0.799SS**  trans-168.9134.5146.2-119.7-20.7000115.3
40E44.7Very low47.9Very low171 Ų171156.9 Ų156.980%0.79980%0.802SS**  trans-109.8110.4176.8178.6-165.5-176.700107.4
41I50.4Low47.1Very low142 Ų142159.7 Ų159.773%0.72880%0.8SS**  trans-148.1116.9158-83.1118.1000111.7
42R42.4Very low47.3Very low224 Ų224160.3 Ų160.385%0.84580%0.798SS**  trans-28.9138.9154.2-61.5163.6169.3162.9-2.2114.1
43R45.4Very low47.1Very low252 Ų252164.3 Ų164.395%0.95181%0.809SS**  -156140.6127.5-73.4-149.5-179.7-178.81.2113
44R42.9Very low46.9Very low258 Ų258168.4 Ų168.497%0.97481%0.813SS**  trans-68.8151.3-177.4-63.6173.3175.6-150.1-1.3112.9
45G43.1Very low46.6Very low81 Ų81173.8 Ų173.884%0.83582%0.823SS**  trans-158.2105156.800000109.6
46G39Very low46.2Very low68 Ų68168.7 Ų168.770%0.70182%0.819SS**  trans-94.5151.1178.900000112.3
47F52.6Low45.8Very low206 Ų206173.7 Ų173.790%0.90483%0.827SS**  trans-141.4113.4159.3-89.2-82.1000109.3
48D46.5Very low45.6Very low146 Ų146172.1 Ų172.178%0.78183%0.828SS**  trans-87.6129.2171.9-80.5-56.9000110.6
49H51.9Low45.6Very low190 Ų190180.8 Ų180.888%0.8884%0.842SS**  trans-133.1107.7156.8-81.1-22.2000110.9
50K44.8Very low45.4Very low191 Ų191178.5 Ų178.583%0.8384%0.838SS**  trans-90.8134166.9-68.4176.2178173.30109.5
51R39.2Very low45.6Very low225 Ų225176 Ų17685%0.84984%0.837SS**  trans173.9117.8130.1-100.8-175.9165.1178.1-4.1109.8
52L49.2Very low45.3Very low136 Ų136173.6 Ų173.671%0.71284%0.838SS**  59.8113.1104.9-58.8178.3000111
53D44.4Very low45.6Very low162 Ų162171.1 Ų171.187%0.86684%0.841SS**  -157.4145.576.4-93-43.9000115.4
54R46.5Very low45.5Very low231 Ų231168.5 Ų168.587%0.87284%0.837SS**  trans-70.6140.2164.9-67.8172.7170.2-175.6-3.2109.5
55R43.3Very low45.1Very low254 Ų254161.1 Ų161.196%0.95883%0.825SS**  trans-159.4141.1134.6-116166.8-179.8-172.6-0.7113.9
56S44.1Very low45.5Very low107 Ų107162.2 Ų162.275%0.74882%0.819SS**  trans-78.5153.1-164.1-57.70000114.9
57R45.3Very low45.8Very low241 Ų241164.5 Ų164.591%0.90982%0.82SS**  trans15.2124.5132.6-61.2176168.5-162.7-4.3117.4
58S48.1Very low45.7Very low112 Ų112163.4 Ų163.478%0.78382%0.817SS**  179.5135114.359.40000113.6
59R47.7Very low45.5Very low241 Ų241163.7 Ų163.791%0.90982%0.818SS**  trans43.3123.8136.9-76.7174.6159.8-157.5-5.5120.6
60S41Very low45Very low110 Ų110159.3 Ų159.377%0.76981%0.814SS**  trans-58.9161.4155.348.20000112.4
61P49.2Very low45Very low119 Ų119156 Ų15677%0.77382%0.815SS**  -146.4169.892.635.1-16000115.3
62A44.5Very low45.5Very low91 Ų91151 Ų15175%0.75282%0.815SS**  trans-60.2148.2172.200000112.9
63L48.4Very low45.4Very low172 Ų172147.8 Ų147.890%0.90182%0.815SS**  trans-135.8142.7161-76.3178.7000111.6
64F43.1Very low45.5Very low197 Ų197146.2 Ų146.286%0.86481%0.814SS**  trans-66.2154.9-170.6-85.6-110.9000114.3
65S35.7Very low45.7Very low104 Ų104141.5 Ų141.573%0.72781%0.81SS**  trans-60.4134.8157.8139.50000110.5
66S50.1Low46.1Very low103 Ų103135 Ų13572%0.7280%0.804SS**  trans-146.2123155-73.20000109.5
67V47Very low46.1Very low116 Ų116133.5 Ų133.570%0.70381%0.806SS**  trans-76130.6170.4171.40000107.6L69V67-L69 HydrophobicContact CG1-CD1 4.36Å
68H48.8Very low46.5Very low183 Ų183128.6 Ų128.685%0.84780%0.802SS**  trans-119.6117.7161.1-85.9-76000109.6
69L44.2Very low45.9Very low152 Ų152132 Ų13280%0.79681%0.806SS**  trans-83143.9168.4-126.975.4000109.2V67V67-L69 HydrophobicContact CG1-CD1 4.36Å
70A40.4Very low46.2Very low98 Ų98127.5 Ų127.581%0.8180%0.798SS**  trans59117.315000000120
71S45.4Very low46.4Very low121 Ų121130.3 Ų130.385%0.84680%0.799SS**  trans-147123136.4-170.90000109.2
72S49.1Very low46.6Very low120 Ų120130.8 Ų130.884%0.83980%0.803SS**  trans-74.9154.9166.944.20000110.7
73G47.8Very low46.9Very low70 Ų70131.7 Ų131.772%0.72280%0.803SS**  trans179.4118169.800000110
74P46.2Very low47.2Very low129 Ų129132.3 Ų132.384%0.83880%0.802SS**  trans-97.2138.5-175.435.2-28.5000111.6
75T50.7Low47.8Very low131 Ų131131.8 Ų131.880%0.80480%0.802SS**  trans-146.5112.5162.856.50000111.2
76S51.7Low48.5Very low117 Ų117132.3 Ų132.382%0.81880%0.801SS**  trans35.2109.3142.660.20000120.8
77G44.7Very low48.9Very low77 Ų77139 Ų13979%0.79481%0.81SS**  68.294.4119.100000119.8
78V52.4Low49.7Very low137 Ų137144.2 Ų144.283%0.8382%0.817SS**  trans-150124.6131.6178.60000107.5I80V78-I80 HydrophobicContact CG1-CG1 4.46Å
79E36.5Very low50.3Low183 Ų183142.6 Ų142.686%0.85581%0.813SS**  trans-77.6115.9-180-177.7177.9-18000110.5
80I53.3Low51.1Low148 Ų148142.1 Ų142.176%0.75981%0.81SS**  trans-133.5119.7166.2-60.4177.9000107.1V78V78-I80 HydrophobicContact CG1-CG1 4.46Å
81Q44.3Very low51.8Low168 Ų168143.3 Ų143.379%0.78581%0.807SS**  trans-58.9133.4-178.9-63.4-173.337.500111.7S83Q81-S83 PolarHBondContact O-N 2.82Å
82P53.8Low52.4Low130 Ų130148 Ų14884%0.84481%0.806SS**  trans-87.498.3165.931.5-25.4000108.9
83S50.9Low52.6Low110 Ų110153.2 Ų153.277%0.76981%0.807SS**  trans-69.8140.3164.757.30000110.3Q81Q81-S83 PolarHBondContact O-N 2.82Å
84E55.5Low53Low185 Ų185155.4 Ų155.486%0.86481%0.809SS**  trans-24.4160.6179.6-65.8169.9148.100119.7
85E55.2Low53.2Low185 Ų185156.4 Ų156.486%0.86481%0.807SS**  trans88.693.6157.1-143164.2-148.500114.7
86T49.9Very low53.1Low116 Ų116158.9 Ų158.971%0.71281%0.809SS**  -173.1114.175.6-56.20000108.6R88T86-R88 PolarHBondContact O-N 3.37Å
87R58.2Low53.2Low242 Ų242159.1 Ų159.191%0.91380%0.801SS**  trans-74.8109.7168.2-70.2-178.5179.2-1740.5108.8I89R87-I89 PolarHBondContact O-N 3.38Å
88R64.4Low53.7Low227 Ų227161.1 Ų161.186%0.85780%0.8SS**  trans-81.5108166.3-73-177.7176.2178-2109T86 I90T86-R88 PolarHBondContact O-N 3.37Å; R88-I90 PolarHBondContact O-N 3.48Å
89I62.5Low53.6Low148 Ų148163.6 Ų163.676%0.75980%0.8SS**  trans-75.8111.3168.8-62.1171.2000107.2R87 V91R87-I89 PolarHBondContact O-N 3.38Å; I89-V91 HydrophobicContact CG2-CG2 4.03Å; I89-V91 PolarHBondContact O-N 3.36Å
90I61Low54.1Low142 Ų142161.9 Ų161.973%0.72880%0.797SS**  trans-78.499.4168.4-59.3173.1000106.7R88 R92R88-I90 PolarHBondContact O-N 3.48Å; I90-R92 HydrophobicContact CG2-CG 4.08Å; I90-R92 PolarHBondContact O-N 3.41Å; I90-R92 VanDerWaalsContact O-N 3.07Å
91V55.3Low54.2Low123 Ų123162.2 Ų162.275%0.74580%0.8SS**  trans-75.194.5167.1-178.40000107.4I89 R93I89-V91 HydrophobicContact CG2-CG2 4.03Å; I89-V91 PolarHBondContact O-N 3.36Å; V91-R93 PolarHBondContact O-N 3.43Å
92R56.7Low54.5Low221 Ų221160.6 Ų160.683%0.83480%0.801SS**  trans-67.1114.9165-71.1-176.2172.3165.6-2.2107.5I90I90-R92 HydrophobicContact CG2-CG 4.08Å; I90-R92 PolarHBondContact O-N 3.41Å; I90-R92 VanDerWaalsContact O-N 3.07Å
93R53.5Low54.5Low228 Ų228161.9 Ų161.986%0.8680%0.796SS**PPolyproline II helixtrans-60.1136.2161.3-81.6-175.8-162.2178.14.8107.9V91 L95V91-R93 PolarHBondContact O-N 3.43Å; R93-L95 PolarHBondContact O-N 3.07Å
94P55.9Low54.3Low117 Ų117162.7 Ų162.776%0.7679%0.791SS**PPolyproline II helixtrans-63.1129.9167.925.6-28.3000108.6Q96P94-Q96 PolarHBondContact O-N 3.35Å
95L51Low54Low150 Ų150162.9 Ų162.979%0.78579%0.786SS**PPolyproline II helixtrans-61.6118.5168.8-171.868000107R93 D97R93-L95 PolarHBondContact O-N 3.07Å; L95-D97 PolarHBondContact O-N 3.3Å
96Q47.6Very low53.5Low183 Ų183159.3 Ų159.386%0.85578%0.777SS**  trans-82.6104172.1-156.1108.91200106.6P94P94-Q96 PolarHBondContact O-N 3.35Å
97D53.9Low53.3Low122 Ų122160.5 Ų160.565%0.65277%0.774SS**PPolyproline II helixtrans-63.8137.7171.2-68.5-43000110L95 K99L95-D97 PolarHBondContact O-N 3.3Å; D97-K99 PolarHBondContact O-N 3.36Å
98P56.4Low52.9Low118 Ų118159.1 Ų159.177%0.76677%0.774SS**PPolyproline II helixtrans-77120.3170.730.4-27.4000108.6
99K49.4Very low52Low189 Ų189155.6 Ų155.682%0.82277%0.768SS**PPolyproline II helixtrans-93.1118.9165.9-76.5-174.5178.2178.90108.9D97D97-K99 PolarHBondContact O-N 3.36Å
100D48.1Very low51.2Low148 Ų148154.2 Ų154.279%0.79177%0.772SS**PPolyproline II helixtrans-60.9124.5162.6-59.7-59.7000109.6
101D53.9Low50.5Low155 Ų155156.6 Ų156.683%0.82978%0.777SS**  trans-126.892.4161.1-73.7-42.3000107.4
102V51.9Low50.4Low133 Ų133155.7 Ų155.781%0.80678%0.776SS**  trans-110.2106.6163175.60000105.5
103E53.9Low50.2Low157 Ų157154.7 Ų154.773%0.73478%0.777SS**  trans-128115.8163.7-75.2-143.9136.700110.9Y105E103-Y105 HydrophobicContact CB-CE2 4.23Å; E103-Y105 PolarHBondContact OE1-OH 3.31Å; E103-Y105 VanDerWaalsContact OE2-CE2 3.3Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å
104D45.6Very low50.2Low127 Ų127148.9 Ų148.968%0.67977%0.769SS**  trans-89.6127.6168174.232000108
105Y49.6Very low49.9Very low190 Ų190150.5 Ų150.575%0.74577%0.771SS**  trans-136.9109.8162.8-77.1-75.5000110.2E103E103-Y105 HydrophobicContact CB-CE2 4.23Å; E103-Y105 PolarHBondContact OE1-OH 3.31Å; E103-Y105 VanDerWaalsContact OE2-CE2 3.3Å; E103-Y105 WeakPolarHBondContact OE2-CE2 3.3Å
106T44.5Very low49.6Very low110 Ų110149.2 Ų149.268%0.67577%0.765SS**  trans-74146.5172.547.50000113.5
107E45.4Very low49.8Very low141 Ų141150.2 Ų150.266%0.65976%0.763SS**  trans77.2118.3136.6-162168.5-159.800119.9Q109E107-Q109 HydrophobicContact CG-CG 4.45Å; E107-Q109 PolarHBondContact OE1-NE2 3.49Å
108K49.8Very low49.7Very low212 Ų212149.3 Ų149.392%0.92277%0.766SS**  trans-154.2121.7131.5-104.5163.2-166.1-179.70111.4
109Q45.8Very low49.3Very low153 Ų153155.1 Ų155.172%0.71577%0.773SS**  trans-70153.5-178.3-61.1169.81500113.5E107E107-Q109 HydrophobicContact CG-CG 4.45Å; E107-Q109 PolarHBondContact OE1-NE2 3.49Å
110S46.2Very low49.4Very low120 Ų120150.7 Ų150.784%0.83976%0.763SS**  trans148.4145.8131.356.70000110.8
111K46.6Very low49.1Very low192 Ų192150.3 Ų150.384%0.83576%0.761SS**  cis-177.8143.1-21.2-166.6172.1-172.6172.20105.3
112S53.3Low48.7Very low104 Ų104148.7 Ų148.773%0.72775%0.752SS**  trans66.3143.8158.660.10000119.4
113K51.7Low48.6Very low199 Ų199147.9 Ų147.987%0.86574%0.744SS**  cis-167.11642.2-112.4171.7-178.2-178.80108.3
114P53.7Low48.6Very low106 Ų106146.3 Ų146.369%0.68874%0.74SS**  trans-111.8-174.5-167.940.2-27.9000114.7
115N49.3Very low48.7Very low151 Ų151146 Ų14681%0.80774%0.739SS**  trans106.9144166.7-62.4-1.7000114.3
116D45.3Very low48.8Very low123 Ų123145.3 Ų145.366%0.65874%0.74SS**  cis-176.6-178-16.8-161.1-10000104.1
117Y51.6Low49.2Very low205 Ų205151.2 Ų151.280%0.80475%0.749SS**  trans105.891.3170.3-52.4-64.1000116.5
118S51Low49.2Very low103 Ų103155.9 Ų155.972%0.7276%0.761SS**  47.3138.8110.8-51.30000118.4
119R48.8Very low49.4Very low239 Ų239153.7 Ų153.790%0.90276%0.758SS**  cis-173.3168.2-5-121-169.3177.9-172.80.3104.4
120P52.2Low49Very low97 Ų97157.2 Ų157.263%0.6377%0.765SS**  trans-97.2164.7-162.439.2-35.1000113.7
121N41.4Very low49.3Very low139 Ų139158.5 Ų158.574%0.74376%0.763SS**  153.9142.9120.9-89.7-13.1000113.3
122N45.9Very low49.3Very low121 Ų121157.9 Ų157.965%0.64776%0.763SS**  trans80.1124.7139.9-81.826.8000122.2
123D49.9Very low49Very low117 Ų117161.7 Ų161.763%0.62677%0.769SS**  85.3114.2126.4-61.4-18.6000119.4
124D53.3Low49Very low124 Ų124156.5 Ų156.566%0.66376%0.758SS**  83.5108.5121.6-75.8-28.5000119.5
125N48.3Very low48.8Very low121 Ų121160.6 Ų160.665%0.64777%0.765SS**  81.6129.3118.7-78.4-45.2000119.4
126K51.4Low48.9Very low175 Ų175163 Ų16376%0.76177%0.768SS**  trans78.2105.8140.8-71.4167.7-177.3171.30117.3
127R51.9Low48.9Very low233 Ų233166 Ų16688%0.87978%0.783SS**  143.5105120.8-80.6155.8175.3-167.5-1.2109.2
128R45.1Very low49.4Very low239 Ų239164 Ų16490%0.90278%0.783SS**  5210383.1-76.7-168.2167.3-174.9-2.3113.8
129L53.9Low49.5Very low166 Ų166164.8 Ų164.887%0.86979%0.786SS**  trans176.691.1148.5-97.5148.5000104.7
130R38.3Very low49.8Very low228 Ų228164.4 Ų164.486%0.8678%0.784SS**  45.692.277.3-151.1-176.2-157.8-171.85112.2
131D53.3Low49.7Very low147 Ų147165.5 Ų165.579%0.78679%0.792SS**  trans-165.4100.8146.7-79-35.5000105.9
132E46.6Very low50.5Low178 Ų178165.2 Ų165.283%0.83279%0.788SS**  52.593.391.3-74.4-119.8134.200113.3
133Q45.8Very low50.9Low185 Ų185164.8 Ų164.886%0.86479%0.792SS**  trans-171.9108.4130.1-105174.520.700112.4
134S52.8Low50.9Low89 Ų89167.4 Ų167.462%0.62280%0.799SS**  65.6118.1116.5-69.60000120.6
135K48.5Very low50.9Low192 Ų192170.1 Ų170.184%0.83581%0.805SS**  trans88.889.6136.9-58.1157.5-171.5179.50118
136K51.1Low50.8Low201 Ų201171.2 Ų171.287%0.87481%0.81SS**  163.2105.1113-94.5176.5174.9177.90109.3M138K136-M138 PolarHBondContact O-N 2.95Å
137L45.9Very low50.8Low186 Ų186172.1 Ų172.197%0.97481%0.809SS**  trans-74.499.2168.4-69.6163.3000107.9
138M61.7Low50.9Low163 Ų163166.5 Ų166.580%0.80380%0.803SS**PPolyproline II helixtrans-86.2133.8159.5-68.3-162.776.500108.4K136 R140K136-M138 PolarHBondContact O-N 2.95Å; M138-R140 PolarHBondContact O-N 3.02Å
139P54.5Low51.4Low120 Ų120160.7 Ų160.778%0.77979%0.794SS**PPolyproline II helixtrans-67.9123176.519.6-15.2000108.1
140R53.9Low51.1Low232 Ų232157.5 Ų157.588%0.87578%0.783SS**PPolyproline II helixtrans-57.8131.7171.9-71-174.1179.3-152.40.1108.2M138 I142M138-R140 PolarHBondContact O-N 3.02Å; R140-I142 PolarHBondContact O-N 3.25Å; R140-I142 VanDerWaalsContact O-N 3.12Å
141P49.5Very low51.5Low120 Ų120153.7 Ų153.778%0.77978%0.778SS**PPolyproline II helixtrans-62.1121.3173.825-29000107.6P143P141-P143 WeakPolarHBondContact O-CD 3.48Å; P141-P143 VanDerWaalsContact O-N 3.17Å
142I58.6Low51Low132 Ų132152.4 Ų152.468%0.67778%0.775SS**PPolyproline II helixtrans-55.5118.4168.5-55.4163.4000105.1R140 F144R140-I142 PolarHBondContact O-N 3.25Å; R140-I142 VanDerWaalsContact O-N 3.12Å; I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 3.37Å
143P54.6Low50.8Low113 Ų113149.4 Ų149.473%0.73477%0.769SS**  trans-68.8102.9170.228.4-27.5000104.7P141 K145P141-P143 WeakPolarHBondContact O-CD 3.48Å; P141-P143 VanDerWaalsContact O-N 3.17Å; P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 3.15Å
144F50.7Low51Low172 Ų172145.6 Ų145.675%0.75476%0.76SS**  trans-54.7104.4162.6-78.7-78000105.6I142 N146I142-F144 VanDerWaalsContact C-N 3.31Å; I142-F144 PolarHBondContact O-N 3.37Å; F144-N146 PolarHBondContact O-N 2.74Å
145K51.6Low51.3Low181 Ų181147.5 Ų147.579%0.78777%0.773SS**  trans-7266.2175.6-165.9169.2-175.6176.70106.8P143 R147P143-K145 VanDerWaalsContact C-N 3.25Å; P143-K145 PolarHBondContact O-N 3.15Å; K145-R147 HydrophobicContact CG-CB 4.25Å; K145-R147 PolarHBondContact O-N 2.84Å
146N48.1Very low52.6Low144 Ų144140 Ų14077%0.7775%0.751SS**  trans-72.665.9156.7-68.11.6000105.6F144 P148F144-N146 PolarHBondContact O-N 2.74Å; N146-P148 VanDerWaalsContact O-CD 3.28Å; N146-P148 WeakPolarHBondContact O-CD 3.44Å
147R50.1Low54.3Low193 Ų193132.5 Ų132.573%0.72872%0.72SS**  trans-64.8116.2162.2-173.6179.8-131.7-147.20.7103.5K145 V149K145-R147 HydrophobicContact CG-CB 4.25Å; K145-R147 PolarHBondContact O-N 2.84Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.42Å
148P54.2Low56.5Low115 Ų115127.4 Ų127.475%0.74769%0.694SS**  trans-58.6112.2161.5-5.221.3000103.4N146 P150N146-P148 VanDerWaalsContact O-CD 3.28Å; N146-P148 WeakPolarHBondContact O-CD 3.44Å; P148-P150 VanDerWaalsContact O-N 3.12Å
149V56.9Low58Low118 Ų118123.7 Ų123.772%0.71567%0.671SS**  trans-45.4125.2159.1-96.20000104.9R147 I151R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 3.42Å; V149-I151 PolarHBondContact O-N 3.35Å
150P47.6Very low59.8Low98 Ų98125.6 Ų125.664%0.63667%0.67SS**  trans-54.5121.7171.424.6-29.5000104.2P148 T152P148-P150 VanDerWaalsContact O-N 3.12Å; P150-T152 PolarHBondContact O-N 3.47Å; P150-T152 PolarHBondContact O-OG1 3.27Å
151I45.3Very low61.7Low149 Ų149120.5 Ų120.576%0.76466%0.659SS**  trans-64.282.5164.1-59.7169.3000102.9V149 V153V149-I151 PolarHBondContact O-N 3.35Å; I151-V153 PolarHBondContact O-N 2.89Å
152T43.9Very low63.8Low119 Ų119117.7 Ų117.773%0.7364%0.64SS**  trans-50105.7148.312.80000102.2P150 P154P150-T152 PolarHBondContact O-N 3.47Å; P150-T152 PolarHBondContact O-OG1 3.27Å; T152-P154 WeakPolarHBondContact O-CD 3.18Å
153V41.8Very low65.6Low116 Ų116116.8 Ų116.870%0.70365%0.645SS**  trans-38.2111.2169.8-76.50000105.9I151 S155I151-V153 PolarHBondContact O-N 2.89Å; V153-S155 PolarHBondContact O-N 3.41Å
154P49.4Very low67.6Low105 Ų105113.9 Ų113.968%0.68263%0.625SS**  trans-69.198.317427.9-29000102.7T152 G156T152-P154 WeakPolarHBondContact O-CD 3.18Å; P154-G156 PolarHBondContact O-N 3.42Å
155S60Low69.7Low128 Ų128106.8 Ų106.890%0.89560%0.595SS**SBendtrans-73.144.7173.553.40000109.3V153V153-S155 PolarHBondContact O-N 3.41Å
156G74.7Confident71.9Confident36 Ų36102.9 Ų102.937%0.37158%0.582SS.*SBendtrans-174.9142.8-16900000108.9P154P154-G156 PolarHBondContact O-N 3.42Å
157I86.7Confident74.2Confident42 Ų4296 Ų9622%0.21555%0.546CS..  trans-81.9142.1178.2-64.8157.5000107.6R159 T162 W198 I199 D200I157-R159 PolarHBondContact O-N 2.96Å; I157-T162 HydrophobicContact CG2-CG2 3.72Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.36Å; I157-W198 HydrophobicContact CD1-CB 4.12Å; I157-I199 HydrophobicContact CD1-CB 4.13Å; I157-I199 HydrophobicContact CD1-CG2 3.2Å; I157-I199 HydrophobicContact CG1-CG2 4.32Å; I157-D200 HydrophobicContact CB-CB 4.45Å; I157-D200 WeakPolarHBondContact CB-OD2 3.42Å; I157-D200 HydrophobicContact CD1-CB 3.63Å; I157-D200 VanDerWaalsContact CD1-N 3.26Å; I157-D200 HydrophobicContact CG1-CB 4.03Å; I157-D200 PolarHBondContact N-OD2 2.78Å
158D92.4Very high76.4Confident80 Ų8090.1 Ų90.143%0.42852%0.523SS..  trans-74.195.9172-171.215.7000110.6E160 N161 T162D158-E160 PolarHBondContact O-N 3.01Å; D158-E160 WeakPolarHBondContact OD1-CG 3.41Å; D158-N161 PolarHBondContact O-N 3.2Å; D158-N161 PolarHBondContact OD2-ND2 3.04Å; D158-T162 WeakPolarHBondContact O-CB 3.47Å; D158-T162 PolarHBondContact O-N 2.8Å; D158-T162 PolarHBondContact O-OG1 2.82Å
159R94Very high78.4Confident84 Ų8484.7 Ų84.732%0.31749%0.488SS..THydrogen-bonded Turntrans-67.8-19.4-172.7-64.9-175175.5-174.6-3.4113.4I157 W198 D200 E205I157-R159 PolarHBondContact O-N 2.96Å; R159-W198 HydrophobicContact CB-CD2 4.07Å; R159-W198 HydrophobicContact CB-CE3 4.46Å; R159-W198 HydrophobicContact CB-CH2 4.18Å; R159-W198 HydrophobicContact CB-CZ2 3.74Å; R159-W198 HydrophobicContact CG-CD2 3.6Å; R159-W198 HydrophobicContact CG-CE3 3.91Å; R159-W198 HydrophobicContact CG-CG 3.91Å; R159-W198 HydrophobicContact CG-CH2 4.49Å; R159-W198 HydrophobicContact CG-CZ2 4.22Å; R159-W198 HydrophobicContact CG-CZ3 4.35Å; R159-W198 WeakPolarHBondContact O-CZ2 3.39Å; R159-D200 IonicContact CZ-OD1 3.23Å; R159-D200 IonicContact NE-OD1 2.98Å; R159-D200 PolarHBondContact NE-OD1 3.05Å; R159-D200 IonicContact NE-OD2 3Å; R159-D200 IonicContact NH2-OD1 3.81Å; R159-D200 PolarHBondContact NH2-OD1 2.77Å; R159-E205 IonicContact CZ-OE1 2.75Å; R159-E205 IonicContact CZ-OE2 3.72Å; R159-E205 IonicContact NH1-OE1 2.87Å; R159-E205 PolarHBondContact NH1-OE1 2.87Å; R159-E205 IonicContact NH1-OE2 3.16Å; R159-E205 IonicContact NH2-OE1 4Å; R159-E205 PolarHBondContact NH2-OE1 2.93Å; R159-E205 VanDerWaalsContact NH2-OE1 3.16Å; R159-E205 IonicContact NH2-OE2 3.41Å; R159-E205 PolarHBondContact NH2-OE2 2.77Å
160E92.9Very high80.3Confident161 Ų16179 Ų7975%0.75245%0.454SS*.THydrogen-bonded Turntrans-76.6-36.4174.747.3169.2-139.400112.6D158D158-E160 PolarHBondContact O-N 3.01Å; D158-E160 WeakPolarHBondContact OD1-CG 3.41Å
161N93.4Very high82.6Confident124 Ų12476.3 Ų76.366%0.66343%0.431SS*.THydrogen-bonded Turntrans-102-2-176.6-66.5-55.3000113.4D158D158-N161 PolarHBondContact O-N 3.2Å; D158-N161 PolarHBondContact OD2-ND2 3.04Å
162T93.7Very high84.9Confident61 Ų6169.5 Ų69.537%0.37440%0.397SS..SBendtrans-113.4124.7-179.6-520000111.3I157 D158 W198I157-T162 HydrophobicContact CG2-CG2 3.72Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.36Å; D158-T162 WeakPolarHBondContact O-CB 3.47Å; D158-T162 PolarHBondContact O-N 2.8Å; D158-T162 PolarHBondContact O-OG1 2.82Å; T162-W198 PolarHBondContact O-NE1 2.89Å
163C95Very high87.3Confident114 Ų11467.2 Ų67.277%0.7738%0.382SS*.PPolyproline II helixtrans-63.7130.5175.1-172.50000111.1
164P96.4Very high89.6Confident51 Ų5167.7 Ų67.733%0.33138%0.381SS..PPolyproline II helixtrans-68.8151.1176.929.9-35.7000111.5N196 T197 W198P164-N196 HydrophobicContact CB-CB 4.08Å; P164-N196 HydrophobicContact CG-CB 4.24Å; P164-T197 CarbonylContact C-O 3.59Å; P164-T197 WeakPolarHBondContact CA-O 2.99Å; P164-T197 WeakPolarHBondContact CB-O 3.45Å; P164-W198 HydrophobicContact CB-CD2 4.4Å; P164-W198 HydrophobicContact CB-CZ2 4.17Å
165M96Very high91.5Very high23 Ų2364.9 Ų64.911%0.11337%0.367CS..EExtended strand (participates in β ladder)trans-95.7149.1171.964.8-178.6-173.700110.9L167 N196 T197 I199 L285 F290 I292M165-L167 PolarHBondContact O-N 3.19Å; M165-N196 WeakPolarHBondContact O-CA 3.33Å; M165-T197 HydrophobicContact CE-CG2 4.09Å; M165-T197 HydrophobicContact CG-CG2 4.49Å; M165-T197 WeakPolarHBondContact CG-O 3.25Å; M165-T197 PolarHBondContact N-O 2.88Å; M165-T197 PolarHBondContact O-N 3.39Å; M165-I199 HydrophobicContact CE-CB 4.26Å; M165-I199 HydrophobicContact CE-CD1 3.9Å; M165-I199 HydrophobicContact SD-CD1 4.46Å; M165-L285 HydrophobicContact CE-CD1 3.91Å; M165-F290 HydrophobicContact CE-CD1 3.8Å; M165-F290 HydrophobicContact CE-CE1 3.61Å; M165-F290 HydrophobicContact SD-CD1 4.45Å; M165-F290 HydrophobicContact SD-CE1 4.03Å; M165-I292 HydrophobicContact CB-CD1 4.32Å; M165-I292 HydrophobicContact CB-CG1 4.33Å; M165-I292 HydrophobicContact SD-CD1 4.4Å; M165-I292 HydrophobicContact SD-CG1 3.74Å
166L96.7Very high93.1Very high99 Ų9968 Ų6852%0.51836%0.359SS..EExtended strand (participates in β ladder)trans-76.8117172.3-177.965.6000109.9Q194L166-Q194 HydrophobicContact CD1-CB 4.17Å
167L97Very high94Very high1 Ų168 Ų681%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-96.4132.4172.6-165.376.5000110.1M165 Q194 F195 T197 L206 L285 F290 V296M165-L167 PolarHBondContact O-N 3.19Å; L167-Q194 WeakPolarHBondContact O-CA 3.32Å; L167-F195 HydrophobicContact CB-CE2 4.43Å; L167-F195 HydrophobicContact CD2-CE1 4.15Å; L167-F195 HydrophobicContact CD2-CE2 3.75Å; L167-F195 HydrophobicContact CD2-CZ 3.48Å; L167-F195 VanDerWaalsContact CD2-CZ 3.48Å; L167-F195 PolarHBondContact N-O 3.4Å; L167-F195 PolarHBondContact O-N 2.82Å; L167-T197 HydrophobicContact CB-CG2 3.86Å; L167-T197 HydrophobicContact CD2-CG2 4.28Å; L167-T197 HydrophobicContact CG-CG2 4.48Å; L167-L206 HydrophobicContact CD2-CD1 4.35Å; L167-L206 HydrophobicContact CD2-CD2 4.08Å; L167-L206 HydrophobicContact CD2-CG 4.1Å; L167-L285 HydrophobicContact CD1-CD1 4.09Å; L167-L285 HydrophobicContact CD2-CD1 4.39Å; L167-F290 HydrophobicContact CD1-CE1 3.8Å; L167-F290 HydrophobicContact CD1-CE2 3.77Å; L167-F290 HydrophobicContact CD1-CZ 3.27Å; L167-V296 HydrophobicContact CD1-CG2 3.88Å; L167-V296 HydrophobicContact CD2-CG2 4.13Å; L167-V296 HydrophobicContact CG-CG2 4.23Å
168R96.3Very high94.4Very high69 Ų6968.1 Ų68.126%0.2635%0.348SS..EExtended strand (participates in β ladder)trans-107.6113.2172.3-61.2177.867-169.8-2.6109.1E192 Q194 Y295 V296R168-E192 IonicContact CZ-OE1 3.4Å; R168-E192 IonicContact CZ-OE2 3.7Å; R168-E192 IonicContact NE-OE1 2.71Å; R168-E192 PolarHBondContact NE-OE1 2.79Å; R168-E192 IonicContact NE-OE2 3.75Å; R168-E192 IonicContact NH2-OE1 3.25Å; R168-E192 PolarHBondContact NH2-OE1 3.25Å; R168-E192 IonicContact NH2-OE2 2.79Å; R168-E192 PolarHBondContact NH2-OE2 2.71Å; R168-Q194 HydrophobicContact CG-CG 4.3Å; R168-Y295 HydrophobicContact CB-CD1 4.27Å; R168-V296 PolarHBondContact O-N 3.18Å
169L96.8Very high94.4Very high0 Ų067.3 Ų67.30%035%0.348CS..EExtended strand (participates in β ladder)trans-112.7125.1-179.9-176.8150.3000110E192 I193 F195 V210 F226 V296 C298L169-E192 CarbonylContact O-C 3.58Å; L169-I193 HydrophobicContact CD2-CB 4.42Å; L169-I193 HydrophobicContact CD2-CD1 4.17Å; L169-I193 PolarHBondContact N-O 2.93Å; L169-I193 PolarHBondContact O-N 2.84Å; L169-F195 HydrophobicContact CB-CE1 4.1Å; L169-F195 HydrophobicContact CD1-CE1 4.37Å; L169-F195 HydrophobicContact CD1-CZ 4.49Å; L169-V210 HydrophobicContact CD1-CG2 3.93Å; L169-V210 HydrophobicContact CD2-CG2 3.78Å; L169-F226 HydrophobicContact CD1-CD1 4.44Å; L169-F226 HydrophobicContact CD1-CE1 3.99Å; L169-V296 CarbonylContact C-O 3.55Å; L169-V296 VanDerWaalsContact CA-O 3.31Å; L169-V296 WeakPolarHBondContact CA-O 3.25Å; L169-V296 HydrophobicContact CB-CB 4.32Å; L169-V296 HydrophobicContact CD1-CB 4.35Å; L169-V296 HydrophobicContact CD1-CG1 3.81Å; L169-V296 HydrophobicContact CG-CB 4.26Å; L169-V296 HydrophobicContact CG-CG1 4.07Å; L169-C298 HydrophobicContact CD2-CB 4Å; L169-C298 HydrophobicContact CG-CB 4.44Å
170F96.4Very high94.3Very high0 Ų066.1 Ų66.10%035%0.348CS..EExtended strand (participates in β ladder)trans-98.7142.8172.1-60.5-80.2000109.6Y178 Y183 T188 P189 N191 E192 Y295 V296 D297 C298F170-Y178 HydrophobicContact CB-CD2 4.08Å; F170-Y178 HydrophobicContact CB-CE2 4.16Å; F170-Y183 AromaticContact CD2-CE1 3.66Å; F170-Y183 HydrophobicContact CD2-CE1 3.66Å; F170-Y183 AromaticContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CG-CE1 4.24Å; F170-T188 HydrophobicContact CE1-CG2 4.38Å; F170-T188 HydrophobicContact CE2-CG2 4.49Å; F170-T188 HydrophobicContact CZ-CG2 3.77Å; F170-P189 HydrophobicContact CD1-CB 3.91Å; F170-P189 HydrophobicContact CD1-CG 4.06Å; F170-P189 WeakPolarHBondContact CE1-O 3.49Å; F170-P189 HydrophobicContact CG-CB 4.48Å; F170-P189 HydrophobicContact CG-CG 4.28Å; F170-N191 VanDerWaalsContact CA-O 3.29Å; F170-N191 WeakPolarHBondContact CA-O 3.44Å; F170-E192 HydrophobicContact CD1-CB 3.97Å; F170-E192 HydrophobicContact CD1-CG 4.14Å; F170-E192 HydrophobicContact CE1-CB 3.71Å; F170-E192 HydrophobicContact CE1-CG 3.64Å; F170-E192 WeakPolarHBondContact CE1-OE2 3.12Å; F170-E192 HydrophobicContact CZ-CG 4.07Å; F170-Y295 AromaticContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD2 4.46Å; F170-Y295 AromaticContact CE2-CG 3.85Å; F170-Y295 HydrophobicContact CE2-CG 3.85Å; F170-V296 PolarHBondContact N-O 3.08Å; F170-D297 CarbonylContact O-C 3.57Å; F170-D297 WeakPolarHBondContact O-CA 3.41Å; F170-C298 PolarHBondContact O-N 2.73Å
171Y95.5Very high94.2Very high41 Ų4162.3 Ų62.316%0.16134%0.339CS..EExtended strand (participates in β ladder)trans-131.5145.4179.970.1-87.4000113.3Y178 N191 I193 V214 C298 I300Y171-Y178 VanDerWaalsContact O-CE2 3.29Å; Y171-Y178 WeakPolarHBondContact O-CE2 3.41Å; Y171-Y178 PolarHBondContact O-OH 3.35Å; Y171-N191 HydrophobicContact CD1-CB 3.92Å; Y171-N191 WeakPolarHBondContact CD1-O 3.4Å; Y171-N191 HydrophobicContact CD2-CB 4.18Å; Y171-N191 HydrophobicContact CE1-CB 3.66Å; Y171-N191 HydrophobicContact CE2-CB 3.92Å; Y171-N191 HydrophobicContact CG-CB 4.19Å; Y171-N191 PolarHBondContact N-O 2.92Å; Y171-N191 WeakPolarHBondContact O-CB 3.28Å; Y171-N191 PolarHBondContact O-ND2 2.91Å; Y171-I193 HydrophobicContact CD1-CD1 3.51Å; Y171-I193 HydrophobicContact CD1-CG1 3.65Å; Y171-I193 HydrophobicContact CE1-CD1 3.77Å; Y171-I193 HydrophobicContact CE1-CG1 3.65Å; Y171-I193 HydrophobicContact CG-CD1 4.34Å; Y171-V214 HydrophobicContact CD1-CG2 4.43Å; Y171-V214 HydrophobicContact CD2-CG2 3.7Å; Y171-V214 HydrophobicContact CE1-CG2 4.26Å; Y171-V214 HydrophobicContact CE2-CG2 3.5Å; Y171-V214 VanDerWaalsContact CE2-CG2 3.5Å; Y171-V214 HydrophobicContact CG-CG2 4.16Å; Y171-C298 CarbonylContact C-O 3.5Å; Y171-C298 VanDerWaalsContact CA-O 3.26Å; Y171-C298 WeakPolarHBondContact CA-O 3.33Å; Y171-I300 HydrophobicContact CD2-CD1 4.14Å
172S94.4Very high94.1Very high6 Ų659.7 Ų59.74%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-129.3131178.2168.20000110.2N174 R176 C298 I300S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 2.96Å; S172-R176 WeakPolarHBondContact CB-O 3.46Å; S172-R176 PolarHBondContact OG-O 3.33Å; S172-C298 PolarHBondContact N-O 2.78Å; S172-I300 PolarHBondContact O-N 3.45Å
173T92.9Very high93.9Very high70 Ų7056.8 Ų56.843%0.42931%0.307SS..SBendtrans-87.80175.454.70000112.9A175 I216T173-A175 PolarHBondContact O-N 2.86Å; T173-I216 HydrophobicContact CG2-CD1 4.25Å
174N90.8Very high93.4Very high126 Ų12654 Ų5467%0.67428%0.284SS*.SBendtrans-88.618.9-174.5-66.3-22.8000113.2S172 R176S172-N174 VanDerWaalsContact C-N 3.31Å; S172-N174 PolarHBondContact OG-N 2.96Å; N174-R176 PolarHBondContact O-N 3.45Å
175A89.6Confident92.6Very high47 Ų4761.4 Ų61.439%0.38831%0.311SS..SBendtrans56.616.5-174.700000115T173 I300 V301T173-A175 PolarHBondContact O-N 2.86Å; A175-I300 PolarHBondContact N-O 2.78Å; A175-V301 HydrophobicContact CB-CB 4.14Å; A175-V301 HydrophobicContact CB-CG1 3.56Å; A175-V301 HydrophobicContact CB-CG2 3.8Å
176R93.4Very high91.7Very high194 Ų19472 Ų7273%0.73235%0.35SS*.SBendtrans-138.7138.7-176.3-66.6-179.1-177.1-178.32109.8S172 N174S172-R176 WeakPolarHBondContact CB-O 3.46Å; S172-R176 PolarHBondContact OG-O 3.33Å; N174-R176 PolarHBondContact O-N 3.45Å
177H94.4Very high91.2Very high36 Ų3676.5 Ų76.517%0.16736%0.36CS..PPolyproline II helixtrans-58.8150.6168.5-74.9-67.7000111.3H225 D297H177-H225 PolarHBondContact CE1-O 3.42Å; H177-D297 WeakPolarHBondContact CA-OD2 3.03Å; H177-D297 WeakPolarHBondContact CB-OD2 3.17Å; H177-D297 PolarHBondContact CE1-O 3.36Å; H177-D297 IonicContact CE1-OD2 3.54Å; H177-D297 IonicContact CG-OD2 3.24Å; H177-D297 VanDerWaalsContact CG-OD2 3.24Å; H177-D297 IonicContact ND1-OD2 3.84Å; H177-D297 PolarHBondContact ND1-OD2 3.17Å
178Y93.9Very high90.9Very high44 Ų4478.4 Ų78.417%0.17337%0.372CS..PPolyproline II helixtrans-59.4150172-78.8-70.4000110.7F170 Y171 P189 N191 D297F170-Y178 HydrophobicContact CB-CD2 4.08Å; F170-Y178 HydrophobicContact CB-CE2 4.16Å; Y171-Y178 VanDerWaalsContact O-CE2 3.29Å; Y171-Y178 WeakPolarHBondContact O-CE2 3.41Å; Y171-Y178 PolarHBondContact O-OH 3.35Å; Y178-P189 HydrophobicContact CD1-CB 3.97Å; Y178-P189 HydrophobicContact CD1-CG 3.87Å; Y178-P189 HydrophobicContact CD2-CB 3.85Å; Y178-P189 HydrophobicContact CD2-CG 3.68Å; Y178-P189 HydrophobicContact CE1-CB 3.75Å; Y178-P189 HydrophobicContact CE1-CG 4.2Å; Y178-P189 HydrophobicContact CE2-CB 3.61Å; Y178-P189 HydrophobicContact CE2-CG 4.01Å; Y178-P189 HydrophobicContact CG-CB 4.03Å; Y178-P189 HydrophobicContact CG-CG 3.62Å; Y178-N191 PolarHBondContact OH-ND2 2.7Å; Y178-N191 VanDerWaalsContact OH-ND2 3.16Å; Y178-D297 WeakPolarHBondContact CD2-OD1 3.46Å; Y178-D297 PolarHBondContact N-OD2 2.74Å; Y178-D297 VanDerWaalsContact N-OD2 3.08Å
179S92.6Very high90.6Very high62 Ų6275.7 Ų75.743%0.43436%0.363SS..PPolyproline II helixtrans-70.6144.6175.9-176.30000108.7S181 D182S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.21Å; S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.66Å; S179-D182 WeakPolarHBondContact O-CB 3.29Å; S179-D182 PolarHBondContact O-N 2.84Å
180L92.4Very high90.3Very high60 Ų6084.6 Ų84.631%0.31441%0.405SS..G310 helixtrans-57.6-21.5172.6-69.2172.4000112.4D182 V229 Y237 R239L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.11Å; L180-V229 HydrophobicContact CD2-CG1 4.28Å; L180-Y237 WeakPolarHBondContact CD1-O 3.47Å; L180-R239 HydrophobicContact CD2-CB 3.95Å
181S90.2Very high90.2Very high80 Ų8087.1 Ų87.156%0.55942%0.418SS*.G310 helixtrans-67.9-26174.4-60.40000113.5S179 Y183 N184S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.21Å; S181-Y183 VanDerWaalsContact C-N 3.25Å; S181-Y183 PolarHBondContact O-N 3.42Å; S181-N184 WeakPolarHBondContact O-CB 3.41Å; S181-N184 PolarHBondContact O-N 3.38Å
182D90.9Very high90.1Very high69 Ų6987.7 Ų87.737%0.36942%0.422SS..G310 helixtrans-74.1-20.2-177.4-57.8-33.8000112.2S179 L180 R187 P189S179-D182 WeakPolarHBondContact CB-OD2 3.3Å; S179-D182 PolarHBondContact N-OD2 2.66Å; S179-D182 WeakPolarHBondContact O-CB 3.29Å; S179-D182 PolarHBondContact O-N 2.84Å; L180-D182 VanDerWaalsContact C-N 3.28Å; L180-D182 PolarHBondContact O-N 3.11Å; D182-R187 CarbonylContact O-C 3.55Å; D182-R187 VanDerWaalsContact O-O 3.12Å; D182-P189 HydrophobicContact CB-CG 4.27Å
183Y90.4Very high90.2Very high1 Ų187.9 Ų87.90%0.00442%0.423CS..G310 helixtrans-90.4-11175.7-63.2-83.7000113.2F170 S181 R187 P189 V229 Y237 Y295F170-Y183 AromaticContact CD2-CE1 3.66Å; F170-Y183 HydrophobicContact CD2-CE1 3.66Å; F170-Y183 AromaticContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CE2-CE1 3.85Å; F170-Y183 HydrophobicContact CG-CE1 4.24Å; S181-Y183 VanDerWaalsContact C-N 3.25Å; S181-Y183 PolarHBondContact O-N 3.42Å; Y183-R187 CarbonylContact C-O 3.42Å; Y183-R187 WeakPolarHBondContact CA-O 3.34Å; Y183-P189 HydrophobicContact CE1-CG 4.18Å; Y183-P189 HydrophobicContact CE2-CG 4.49Å; Y183-V229 HydrophobicContact CD1-CG1 4.22Å; Y183-V229 HydrophobicContact CD2-CG1 3.94Å; Y183-V229 HydrophobicContact CE1-CG1 4.4Å; Y183-V229 HydrophobicContact CE2-CG1 4.12Å; Y183-V229 HydrophobicContact CE2-CG2 4.09Å; Y183-V229 HydrophobicContact CG-CG1 3.98Å; Y183-Y237 WeakPolarHBondContact O-CE2 3.39Å; Y183-Y295 AromaticContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CE2 4.13Å; Y183-Y295 AromaticContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CG 4.43Å
184N84.7Confident90.3Very high55 Ų5590 Ų9029%0.29443%0.428SS..G310 helixtrans-72.3158.9-178.2-72.5-29.7000111.6S181 R186 R187S181-N184 WeakPolarHBondContact O-CB 3.41Å; S181-N184 PolarHBondContact O-N 3.38Å; N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.22Å; N184-R187 PolarHBondContact O-N 3.24Å
185K79Confident90.6Very high206 Ų20685.1 Ų85.190%0.89640%0.4SS*.G310 helixtrans61.831.7175.6-52.1179.3179.9179.60114.8R187K185-R187 PolarHBondContact O-N 3.48Å; K185-R187 VanDerWaalsContact O-N 3.15Å
186R77.5Confident90.9Very high246 Ų24688.1 Ų88.193%0.92841%0.41SS*.G310 helixtrans6216.2-179.9-52.4175.6176.7-94.71.1113.7N184N184-R186 VanDerWaalsContact C-N 3.32Å; N184-R186 PolarHBondContact O-N 3.22Å
187R87Confident91Very high194 Ų19479.3 Ų79.373%0.73238%0.378SS*.  trans-91.1147.1169.7-165.4174.6-176.1-1731.1108.6D182 Y183 N184 K185D182-R187 CarbonylContact O-C 3.55Å; D182-R187 VanDerWaalsContact O-O 3.12Å; Y183-R187 CarbonylContact C-O 3.42Å; Y183-R187 WeakPolarHBondContact CA-O 3.34Å; N184-R187 PolarHBondContact O-N 3.24Å; K185-R187 PolarHBondContact O-N 3.48Å; K185-R187 VanDerWaalsContact O-N 3.15Å
188T89.3Confident91.1Very high40 Ų4080.3 Ų80.325%0.24538%0.38CS..  trans-125.3155.7170.251.50000109.5F170F170-T188 HydrophobicContact CE1-CG2 4.38Å; F170-T188 HydrophobicContact CE2-CG2 4.49Å; F170-T188 HydrophobicContact CZ-CG2 3.77Å
189P91.1Very high91Very high13 Ų1380.4 Ų80.48%0.08438%0.383CS..  trans-56154.8172.2-23.232.9000112.6F170 Y178 D182 Y183F170-P189 HydrophobicContact CD1-CB 3.91Å; F170-P189 HydrophobicContact CD1-CG 4.06Å; F170-P189 WeakPolarHBondContact CE1-O 3.49Å; F170-P189 HydrophobicContact CG-CB 4.48Å; F170-P189 HydrophobicContact CG-CG 4.28Å; Y178-P189 HydrophobicContact CD1-CB 3.97Å; Y178-P189 HydrophobicContact CD1-CG 3.87Å; Y178-P189 HydrophobicContact CD2-CB 3.85Å; Y178-P189 HydrophobicContact CD2-CG 3.68Å; Y178-P189 HydrophobicContact CE1-CB 3.75Å; Y178-P189 HydrophobicContact CE1-CG 4.2Å; Y178-P189 HydrophobicContact CE2-CB 3.61Å; Y178-P189 HydrophobicContact CE2-CG 4.01Å; Y178-P189 HydrophobicContact CG-CB 4.03Å; Y178-P189 HydrophobicContact CG-CG 3.62Å; D182-P189 HydrophobicContact CB-CG 4.27Å; Y183-P189 HydrophobicContact CE1-CG 4.18Å; Y183-P189 HydrophobicContact CE2-CG 4.49Å
190E89.5Confident91.1Very high187 Ų18778.4 Ų78.487%0.87437%0.368SS*.SBendtrans-73.1-35.8-177-173.7173.8-177.500113E192E190-E192 VanDerWaalsContact C-N 3.32Å; E190-E192 PolarHBondContact O-N 3.15Å
191N93.8Very high91.2Very high53 Ų5375.6 Ų75.628%0.28335%0.353SS..  trans-78.378.1-178.2-69.1-19.2000111.3F170 Y171 Y178F170-N191 VanDerWaalsContact CA-O 3.29Å; F170-N191 WeakPolarHBondContact CA-O 3.44Å; Y171-N191 HydrophobicContact CD1-CB 3.92Å; Y171-N191 WeakPolarHBondContact CD1-O 3.4Å; Y171-N191 HydrophobicContact CD2-CB 4.18Å; Y171-N191 HydrophobicContact CE1-CB 3.66Å; Y171-N191 HydrophobicContact CE2-CB 3.92Å; Y171-N191 HydrophobicContact CG-CB 4.19Å; Y171-N191 PolarHBondContact N-O 2.92Å; Y171-N191 WeakPolarHBondContact O-CB 3.28Å; Y171-N191 PolarHBondContact O-ND2 2.91Å; Y178-N191 PolarHBondContact OH-ND2 2.7Å; Y178-N191 VanDerWaalsContact OH-ND2 3.16Å
192E94.5Very high91.5Very high52 Ų5273.4 Ų73.424%0.24334%0.336CS..EExtended strand (participates in β ladder)trans-107.7137.3-179.5-169.8175.7157.700111.9R168 L169 F170 E190 Q194R168-E192 IonicContact CZ-OE1 3.4Å; R168-E192 IonicContact CZ-OE2 3.7Å; R168-E192 IonicContact NE-OE1 2.71Å; R168-E192 PolarHBondContact NE-OE1 2.79Å; R168-E192 IonicContact NE-OE2 3.75Å; R168-E192 IonicContact NH2-OE1 3.25Å; R168-E192 PolarHBondContact NH2-OE1 3.25Å; R168-E192 IonicContact NH2-OE2 2.79Å; R168-E192 PolarHBondContact NH2-OE2 2.71Å; L169-E192 CarbonylContact O-C 3.58Å; F170-E192 HydrophobicContact CD1-CB 3.97Å; F170-E192 HydrophobicContact CD1-CG 4.14Å; F170-E192 HydrophobicContact CE1-CB 3.71Å; F170-E192 HydrophobicContact CE1-CG 3.64Å; F170-E192 WeakPolarHBondContact CE1-OE2 3.12Å; F170-E192 HydrophobicContact CZ-CG 4.07Å; E190-E192 VanDerWaalsContact C-N 3.32Å; E190-E192 PolarHBondContact O-N 3.15Å; E192-Q194 HydrophobicContact CG-CG 4.18Å; E192-Q194 VanDerWaalsContact OE1-CG 3.3Å; E192-Q194 WeakPolarHBondContact OE1-CG 3.3Å; E192-Q194 PolarHBondContact OE1-NE2 2.74Å
193I95.7Very high91.7Very high11 Ų1170.2 Ų70.26%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-120.6129.1170.3-56.7173000107L169 Y171 F195 V210 V213L169-I193 HydrophobicContact CD2-CB 4.42Å; L169-I193 HydrophobicContact CD2-CD1 4.17Å; L169-I193 PolarHBondContact N-O 2.93Å; L169-I193 PolarHBondContact O-N 2.84Å; Y171-I193 HydrophobicContact CD1-CD1 3.51Å; Y171-I193 HydrophobicContact CD1-CG1 3.65Å; Y171-I193 HydrophobicContact CE1-CD1 3.77Å; Y171-I193 HydrophobicContact CE1-CG1 3.65Å; Y171-I193 HydrophobicContact CG-CD1 4.34Å; I193-F195 HydrophobicContact CG2-CD1 3.96Å; I193-F195 HydrophobicContact CG2-CE1 4.31Å; I193-V210 HydrophobicContact CD1-CG2 4.43Å; I193-V213 HydrophobicContact CD1-CB 3.77Å; I193-V213 HydrophobicContact CD1-CG1 3.91Å; I193-V213 HydrophobicContact CD1-CG2 4.01Å; I193-V213 HydrophobicContact CG1-CB 4.32Å; I193-V213 HydrophobicContact CG1-CG1 4.08Å; I193-V213 HydrophobicContact CG1-CG2 4.26Å; I193-V213 HydrophobicContact CG2-CG2 4.02Å
194Q95.9Very high91.8Very high115 Ų11571.6 Ų71.654%0.53733%0.331SS..EExtended strand (participates in β ladder)trans-118.2131.5177.3-63.8-174.811.200110.1L166 L167 R168 E192L166-Q194 HydrophobicContact CD1-CB 4.17Å; L167-Q194 WeakPolarHBondContact O-CA 3.32Å; R168-Q194 HydrophobicContact CG-CG 4.3Å; E192-Q194 HydrophobicContact CG-CG 4.18Å; E192-Q194 VanDerWaalsContact OE1-CG 3.3Å; E192-Q194 WeakPolarHBondContact OE1-CG 3.3Å; E192-Q194 PolarHBondContact OE1-NE2 2.74Å
195F96Very high92.3Very high22 Ų2272.1 Ų72.110%0.09633%0.332CS..EExtended strand (participates in β ladder)trans-152.8157.2175.856-83.4000111.3L167 L169 I193 T197 L206 E209L167-F195 HydrophobicContact CB-CE2 4.43Å; L167-F195 HydrophobicContact CD2-CE1 4.15Å; L167-F195 HydrophobicContact CD2-CE2 3.75Å; L167-F195 HydrophobicContact CD2-CZ 3.48Å; L167-F195 VanDerWaalsContact CD2-CZ 3.48Å; L167-F195 PolarHBondContact N-O 3.4Å; L167-F195 PolarHBondContact O-N 2.82Å; L169-F195 HydrophobicContact CB-CE1 4.1Å; L169-F195 HydrophobicContact CD1-CE1 4.37Å; L169-F195 HydrophobicContact CD1-CZ 4.49Å; I193-F195 HydrophobicContact CG2-CD1 3.96Å; I193-F195 HydrophobicContact CG2-CE1 4.31Å; F195-T197 HydrophobicContact CE2-CG2 4.5Å; F195-L206 HydrophobicContact CE2-CD1 4.36Å; F195-L206 HydrophobicContact CE2-CG 4.37Å; F195-L206 HydrophobicContact CZ-CD1 4.49Å; F195-L206 HydrophobicContact CZ-CG 4.01Å; F195-E209 HydrophobicContact CD1-CB 4.18Å; F195-E209 HydrophobicContact CD1-CG 4.28Å; F195-E209 HydrophobicContact CD2-CG 3.86Å; F195-E209 HydrophobicContact CE1-CB 4Å; F195-E209 HydrophobicContact CE1-CG 4.35Å; F195-E209 HydrophobicContact CE2-CB 4.38Å; F195-E209 HydrophobicContact CE2-CG 3.93Å; F195-E209 HydrophobicContact CG-CB 4.42Å; F195-E209 HydrophobicContact CG-CG 4.02Å; F195-E209 HydrophobicContact CZ-CB 4.07Å; F195-E209 HydrophobicContact CZ-CG 4.14Å
196N96.3Very high93.1Very high110 Ų11062.3 Ų62.359%0.58829%0.289SS*.EExtended strand (participates in β ladder)trans-89.4131.3-179.9-67.8-30.1000109.9P164 M165P164-N196 HydrophobicContact CB-CB 4.08Å; P164-N196 HydrophobicContact CG-CB 4.24Å; M165-N196 WeakPolarHBondContact O-CA 3.33Å
197T95.9Very high93.9Very high9 Ų950.6 Ų50.66%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-152.2-179.6-177.2-159.90000111.9P164 M165 L167 F195 A201 L285P164-T197 CarbonylContact C-O 3.59Å; P164-T197 WeakPolarHBondContact CA-O 2.99Å; P164-T197 WeakPolarHBondContact CB-O 3.45Å; M165-T197 HydrophobicContact CE-CG2 4.09Å; M165-T197 HydrophobicContact CG-CG2 4.49Å; M165-T197 WeakPolarHBondContact CG-O 3.25Å; M165-T197 PolarHBondContact N-O 2.88Å; M165-T197 PolarHBondContact O-N 3.39Å; L167-T197 HydrophobicContact CB-CG2 3.86Å; L167-T197 HydrophobicContact CD2-CG2 4.28Å; L167-T197 HydrophobicContact CG-CG2 4.48Å; F195-T197 HydrophobicContact CE2-CG2 4.5Å; T197-A201 HydrophobicContact CG2-CB 4.32Å; T197-A201 WeakPolarHBondContact OG1-CB 3.29Å; T197-L285 HydrophobicContact CG2-CD1 4.34Å
198W95.6Very high94.3Very high57 Ų5744.9 Ų44.922%0.21623%0.229CC..  trans-115.1163.2177.6-65-94.3000111I157 R159 T162 P164 D200 A201I157-W198 HydrophobicContact CD1-CB 4.12Å; R159-W198 HydrophobicContact CB-CD2 4.07Å; R159-W198 HydrophobicContact CB-CE3 4.46Å; R159-W198 HydrophobicContact CB-CH2 4.18Å; R159-W198 HydrophobicContact CB-CZ2 3.74Å; R159-W198 HydrophobicContact CG-CD2 3.6Å; R159-W198 HydrophobicContact CG-CE3 3.91Å; R159-W198 HydrophobicContact CG-CG 3.91Å; R159-W198 HydrophobicContact CG-CH2 4.49Å; R159-W198 HydrophobicContact CG-CZ2 4.22Å; R159-W198 HydrophobicContact CG-CZ3 4.35Å; R159-W198 WeakPolarHBondContact O-CZ2 3.39Å; T162-W198 PolarHBondContact O-NE1 2.89Å; P164-W198 HydrophobicContact CB-CD2 4.4Å; P164-W198 HydrophobicContact CB-CZ2 4.17Å; W198-D200 WeakPolarHBondContact CB-OD1 3.26Å; W198-D200 PolarHBondContact O-N 3.31Å; W198-A201 WeakPolarHBondContact O-CB 3.4Å; W198-A201 PolarHBondContact O-N 2.75Å
199I93.7Very high94.5Very high46 Ų4646.5 Ų46.524%0.23623%0.234CC..THydrogen-bonded Turntrans-67-17.6-179.3-167.667.5000112.1I157 M165 A201 L285 L286 F290I157-I199 HydrophobicContact CD1-CB 4.13Å; I157-I199 HydrophobicContact CD1-CG2 3.2Å; I157-I199 HydrophobicContact CG1-CG2 4.32Å; M165-I199 HydrophobicContact CE-CB 4.26Å; M165-I199 HydrophobicContact CE-CD1 3.9Å; M165-I199 HydrophobicContact SD-CD1 4.46Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-L285 HydrophobicContact CD1-CB 4.08Å; I199-L285 CarbonylContact O-C 3.51Å; I199-L285 WeakPolarHBondContact O-CB 3.44Å; I199-L286 HydrophobicContact CG1-CB 4.03Å; I199-L286 HydrophobicContact CG1-CD1 3.89Å; I199-L286 HydrophobicContact CG2-CD1 4.15Å; I199-L286 WeakPolarHBondContact O-CA 3.29Å; I199-L286 VanDerWaalsContact O-CB 3.24Å; I199-L286 WeakPolarHBondContact O-CB 3.34Å; I199-L286 PolarHBondContact O-N 3.47Å; I199-F290 HydrophobicContact CD1-CB 3.88Å; I199-F290 HydrophobicContact CD1-CD1 3.54Å; I199-F290 HydrophobicContact CD1-CG 4.18Å; I199-F290 WeakPolarHBondContact CD1-O 3.26Å
200D93.9Very high94.7Very high21 Ų2145.9 Ų45.911%0.11223%0.23CC..THydrogen-bonded Turntrans-85.43.1173.671.7-4.8000114.2I157 R159 W198 T202 T284I157-D200 HydrophobicContact CB-CB 4.45Å; I157-D200 WeakPolarHBondContact CB-OD2 3.42Å; I157-D200 HydrophobicContact CD1-CB 3.63Å; I157-D200 VanDerWaalsContact CD1-N 3.26Å; I157-D200 HydrophobicContact CG1-CB 4.03Å; I157-D200 PolarHBondContact N-OD2 2.78Å; R159-D200 IonicContact CZ-OD1 3.23Å; R159-D200 IonicContact NE-OD1 2.98Å; R159-D200 PolarHBondContact NE-OD1 3.05Å; R159-D200 IonicContact NE-OD2 3Å; R159-D200 IonicContact NH2-OD1 3.81Å; R159-D200 PolarHBondContact NH2-OD1 2.77Å; W198-D200 WeakPolarHBondContact CB-OD1 3.26Å; W198-D200 PolarHBondContact O-N 3.31Å; D200-T202 PolarHBondContact O-N 2.84Å; D200-T284 WeakPolarHBondContact O-CG2 3.49Å
201A94.9Very high95Very high0 Ų039.5 Ų39.50%020%0.198CC..  trans-61.4136.5-177.200000112.2T197 W198 I199 E205 L206 T284 L285T197-A201 HydrophobicContact CG2-CB 4.32Å; T197-A201 WeakPolarHBondContact OG1-CB 3.29Å; W198-A201 WeakPolarHBondContact O-CB 3.4Å; W198-A201 PolarHBondContact O-N 2.75Å; I199-A201 VanDerWaalsContact C-N 3.3Å; A201-E205 WeakPolarHBondContact CA-OE2 3.31Å; A201-E205 WeakPolarHBondContact CB-OE2 3.47Å; A201-L206 HydrophobicContact CB-CD1 4.02Å; A201-T284 CarbonylContact O-C 3.5Å; A201-T284 VanDerWaalsContact O-CA 3.24Å; A201-T284 WeakPolarHBondContact O-CA 3.33Å; A201-L285 HydrophobicContact CB-CD1 4.23Å; A201-L285 PolarHBondContact O-N 3.01Å
202T95.3Very high95Very high35 Ų3542.9 Ų42.922%0.21522%0.216CC..BIsolated β-bridgetrans-87.6158.3-176.6630000111.7D200 A204 E205 L206 V283 T284D200-T202 PolarHBondContact O-N 2.84Å; T202-A204 PolarHBondContact O-N 3.03Å; T202-E205 PolarHBondContact N-OE2 3.01Å; T202-E205 PolarHBondContact O-N 3.21Å; T202-E205 VanDerWaalsContact O-N 3.15Å; T202-E205 WeakPolarHBondContact OG1-CG 3.49Å; T202-E205 PolarHBondContact OG1-N 3.44Å; T202-L206 VanDerWaalsContact O-CD1 3.31Å; T202-L206 WeakPolarHBondContact O-CD1 3.39Å; T202-L206 PolarHBondContact O-N 2.87Å; T202-L206 VanDerWaalsContact O-N 3.13Å; T202-V283 CarbonylContact C-O 3.54Å; T202-V283 WeakPolarHBondContact CA-O 3.42Å; T202-T284 HydrophobicContact CG2-CG2 3.91Å
203L95.1Very high95Very high1 Ų144 Ų441%0.00523%0.226CC..Hα-helixtrans-59.8-29.1172-77-171.7000112.9L206 A207 F226 L242 V245 D280 S281 V283L203-L206 HydrophobicContact CD2-CD2 4.24Å; L203-L206 PolarHBondContact O-N 3.45Å; L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3Å; L203-F226 HydrophobicContact CD1-CD2 4.35Å; L203-F226 HydrophobicContact CD2-CB 3.76Å; L203-F226 HydrophobicContact CD2-CD1 4.14Å; L203-F226 HydrophobicContact CD2-CD2 3.77Å; L203-F226 HydrophobicContact CD2-CE2 4.37Å; L203-F226 HydrophobicContact CD2-CG 3.63Å; L203-L242 HydrophobicContact CD1-CG 4.13Å; L203-L242 HydrophobicContact CD2-CD2 3.33Å; L203-L242 HydrophobicContact CD2-CG 3.64Å; L203-L242 HydrophobicContact CG-CD2 4.3Å; L203-L242 HydrophobicContact CG-CG 4.17Å; L203-V245 HydrophobicContact CB-CG2 3.5Å; L203-V245 HydrophobicContact CD1-CG2 4.26Å; L203-V245 HydrophobicContact CG-CG2 4.46Å; L203-D280 HydrophobicContact CD1-CB 4.05Å; L203-S281 PolarHBondContact N-O 3.19Å; L203-V283 HydrophobicContact CD1-CB 4.09Å; L203-V283 HydrophobicContact CD1-CG1 4.45Å; L203-V283 HydrophobicContact CG-CB 4.27Å; L203-V283 PolarHBondContact N-O 3.45Å
204A93.8Very high94.8Very high31 Ų3143.8 Ų43.826%0.25623%0.225SC..Hα-helixtrans-62.4-4617300000112.3T202 A207 D208 S281T202-A204 PolarHBondContact O-N 3.03Å; A204-A207 WeakPolarHBondContact O-CB 3.18Å; A204-A207 PolarHBondContact O-N 2.87Å; A204-D208 PolarHBondContact O-N 2.92Å; A204-S281 PolarHBondContact N-O 3.43Å; A204-S281 VanDerWaalsContact N-O 3.09Å
205E94.8Very high94.6Very high66 Ų6642.1 Ų42.131%0.30822%0.224SC..Hα-helixtrans-62.2-44176.2-69.4175.6155.900111.1R159 A201 T202 A207 D208 E209R159-E205 IonicContact CZ-OE1 2.75Å; R159-E205 IonicContact CZ-OE2 3.72Å; R159-E205 IonicContact NH1-OE1 2.87Å; R159-E205 PolarHBondContact NH1-OE1 2.87Å; R159-E205 IonicContact NH1-OE2 3.16Å; R159-E205 IonicContact NH2-OE1 4Å; R159-E205 PolarHBondContact NH2-OE1 2.93Å; R159-E205 VanDerWaalsContact NH2-OE1 3.16Å; R159-E205 IonicContact NH2-OE2 3.41Å; R159-E205 PolarHBondContact NH2-OE2 2.77Å; A201-E205 WeakPolarHBondContact CA-OE2 3.31Å; A201-E205 WeakPolarHBondContact CB-OE2 3.47Å; T202-E205 PolarHBondContact N-OE2 3.01Å; T202-E205 PolarHBondContact O-N 3.21Å; T202-E205 VanDerWaalsContact O-N 3.15Å; T202-E205 WeakPolarHBondContact OG1-CG 3.49Å; T202-E205 PolarHBondContact OG1-N 3.44Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 3.07Å; E205-D208 PolarHBondContact O-N 2.98Å; E205-E209 PolarHBondContact O-N 2.85Å
206L95.6Very high94.3Very high0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-61.4-39.2175-8862.9000111.9L167 F195 A201 T202 L203 E209 V210 F226 L285 V296L167-L206 HydrophobicContact CD2-CD1 4.35Å; L167-L206 HydrophobicContact CD2-CD2 4.08Å; L167-L206 HydrophobicContact CD2-CG 4.1Å; F195-L206 HydrophobicContact CE2-CD1 4.36Å; F195-L206 HydrophobicContact CE2-CG 4.37Å; F195-L206 HydrophobicContact CZ-CD1 4.49Å; F195-L206 HydrophobicContact CZ-CG 4.01Å; A201-L206 HydrophobicContact CB-CD1 4.02Å; T202-L206 VanDerWaalsContact O-CD1 3.31Å; T202-L206 WeakPolarHBondContact O-CD1 3.39Å; T202-L206 PolarHBondContact O-N 2.87Å; T202-L206 VanDerWaalsContact O-N 3.13Å; L203-L206 HydrophobicContact CD2-CD2 4.24Å; L203-L206 PolarHBondContact O-N 3.45Å; L206-E209 PolarHBondContact O-N 2.83Å; L206-V210 WeakPolarHBondContact O-CG2 3.24Å; L206-V210 PolarHBondContact O-N 2.86Å; L206-F226 HydrophobicContact CB-CE1 3.95Å; L206-F226 HydrophobicContact CB-CZ 4.24Å; L206-F226 HydrophobicContact CD2-CD1 4.44Å; L206-F226 HydrophobicContact CD2-CE1 4.46Å; L206-L285 HydrophobicContact CD1-CD1 4.39Å; L206-L285 HydrophobicContact CD2-CD2 4.04Å; L206-V296 HydrophobicContact CD2-CG1 4.31Å
207A94.9Very high94.1Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-66.9-36.2177.700000112.5L203 A204 E205 V210 R211 M224 F226 V245L203-A207 VanDerWaalsContact O-CB 3.25Å; L203-A207 WeakPolarHBondContact O-CB 3.3Å; L203-A207 PolarHBondContact O-N 3Å; A204-A207 WeakPolarHBondContact O-CB 3.18Å; A204-A207 PolarHBondContact O-N 2.87Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 3.07Å; A207-V210 PolarHBondContact O-N 3.23Å; A207-R211 VanDerWaalsContact O-CG 3.22Å; A207-R211 WeakPolarHBondContact O-CG 3.2Å; A207-R211 PolarHBondContact O-N 3.12Å; A207-M224 HydrophobicContact CB-CE 3.55Å; A207-M224 HydrophobicContact CB-SD 4.15Å; A207-F226 HydrophobicContact CB-CE2 4.39Å; A207-F226 HydrophobicContact CB-CZ 4.12Å; A207-V245 HydrophobicContact CB-CB 4.16Å; A207-V245 HydrophobicContact CB-CG1 3.69Å; A207-V245 HydrophobicContact CB-CG2 4.47Å
208D94.5Very high93.9Very high74 Ų7445.7 Ų45.740%0.39623%0.231SC..Hα-helixtrans-64.4-41.3175.8-77.2-29.5000112.1A204 E205 V210 R211 N212A204-D208 PolarHBondContact O-N 2.92Å; E205-D208 PolarHBondContact O-N 2.98Å; D208-V210 VanDerWaalsContact C-N 3.35Å; D208-V210 PolarHBondContact O-N 2.77Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 3.43Å; D208-R211 IonicContact OD1-CZ 2.73Å; D208-R211 IonicContact OD1-NH1 3.96Å; D208-R211 PolarHBondContact OD1-NH1 3.01Å; D208-N212 VanDerWaalsContact O-CG 3.22Å; D208-N212 PolarHBondContact O-N 3.04Å; D208-N212 PolarHBondContact O-ND2 3.19Å
209E95Very high93.6Very high74 Ų7449.3 Ų49.335%0.34625%0.245SC..Hα-helixtrans-61.3-42.8173.2-67.3-56.5149.300112.1F195 E205 L206 R211 N212 V213F195-E209 HydrophobicContact CD1-CB 4.18Å; F195-E209 HydrophobicContact CD1-CG 4.28Å; F195-E209 HydrophobicContact CD2-CG 3.86Å; F195-E209 HydrophobicContact CE1-CB 4Å; F195-E209 HydrophobicContact CE1-CG 4.35Å; F195-E209 HydrophobicContact CE2-CB 4.38Å; F195-E209 HydrophobicContact CE2-CG 3.93Å; F195-E209 HydrophobicContact CG-CB 4.42Å; F195-E209 HydrophobicContact CG-CG 4.02Å; F195-E209 HydrophobicContact CZ-CB 4.07Å; F195-E209 HydrophobicContact CZ-CG 4.14Å; E205-E209 PolarHBondContact O-N 2.85Å; L206-E209 PolarHBondContact O-N 2.83Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 2.71Å; E209-N212 PolarHBondContact O-N 3Å; E209-V213 PolarHBondContact O-N 3.42Å
210V95.2Very high93.4Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-63.6-38.5175.7175.20000111.7L169 I193 L206 A207 D208 N212 V213 V214 A217 M224 I300L169-V210 HydrophobicContact CD1-CG2 3.93Å; L169-V210 HydrophobicContact CD2-CG2 3.78Å; I193-V210 HydrophobicContact CD1-CG2 4.43Å; L206-V210 WeakPolarHBondContact O-CG2 3.24Å; L206-V210 PolarHBondContact O-N 2.86Å; A207-V210 PolarHBondContact O-N 3.23Å; D208-V210 VanDerWaalsContact C-N 3.35Å; D208-V210 PolarHBondContact O-N 2.77Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 3.31Å; V210-V213 PolarHBondContact O-N 2.87Å; V210-V214 WeakPolarHBondContact O-CB 3.18Å; V210-V214 PolarHBondContact O-N 2.94Å; V210-A217 HydrophobicContact CG1-CB 4.01Å; V210-M224 HydrophobicContact CB-SD 4.26Å; V210-M224 HydrophobicContact CG1-SD 4Å; V210-I300 HydrophobicContact CG1-CD1 3.84Å; V210-I300 HydrophobicContact CG1-CG1 4.4Å
211R94.3Very high93.1Very high53 Ų5354.8 Ų54.820%0.226%0.261CS..Hα-helixtrans-66.7-31.9177-73168.3-161.7157.97.3112.9A207 D208 E209 A217 R218 T247A207-R211 VanDerWaalsContact O-CG 3.22Å; A207-R211 WeakPolarHBondContact O-CG 3.2Å; A207-R211 PolarHBondContact O-N 3.12Å; D208-R211 WeakPolarHBondContact O-CB 3.42Å; D208-R211 PolarHBondContact O-N 3.43Å; D208-R211 IonicContact OD1-CZ 2.73Å; D208-R211 IonicContact OD1-NH1 3.96Å; D208-R211 PolarHBondContact OD1-NH1 3.01Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-R211 PolarHBondContact O-N 2.71Å; R211-A217 HydrophobicContact CG-CB 4.25Å; R211-R218 HydrophobicContact CB-CG 3.92Å; R211-R218 HydrophobicContact CG-CG 4.32Å; R211-R218 WeakPolarHBondContact O-CD 3.33Å; R211-R218 WeakPolarHBondContact O-CG 3.33Å; R211-T247 PolarHBondContact NE-OG1 2.71Å
212N94.3Very high92.9Very high124 Ų12454.8 Ų54.866%0.66326%0.261SS*.Hα-helixtrans-68.4-36.9177.4-70.6-24.5000111.6D208 E209 V210D208-N212 VanDerWaalsContact O-CG 3.22Å; D208-N212 PolarHBondContact O-N 3.04Å; D208-N212 PolarHBondContact O-ND2 3.19Å; E209-N212 PolarHBondContact O-N 3Å; V210-N212 VanDerWaalsContact C-N 3.32Å; V210-N212 PolarHBondContact O-N 3.31Å
213V94.1Very high92.7Very high75 Ų7556.5 Ų56.546%0.45526%0.264SS..Hα-helixtrans-88.1-45.6-178.9-178.80000112.4I193 E209 V210 P215I193-V213 HydrophobicContact CD1-CB 3.77Å; I193-V213 HydrophobicContact CD1-CG1 3.91Å; I193-V213 HydrophobicContact CD1-CG2 4.01Å; I193-V213 HydrophobicContact CG1-CB 4.32Å; I193-V213 HydrophobicContact CG1-CG1 4.08Å; I193-V213 HydrophobicContact CG1-CG2 4.26Å; I193-V213 HydrophobicContact CG2-CG2 4.02Å; E209-V213 PolarHBondContact O-N 3.42Å; V210-V213 PolarHBondContact O-N 2.87Å; V213-P215 WeakPolarHBondContact O-CD 3.4Å
214V92.6Very high92.7Very high7 Ų756.4 Ų56.44%0.04226%0.263CS..  trans-105.1109-172.1-175.50000110.5Y171 V210 I216 A217 I300Y171-V214 HydrophobicContact CD1-CG2 4.43Å; Y171-V214 HydrophobicContact CD2-CG2 3.7Å; Y171-V214 HydrophobicContact CE1-CG2 4.26Å; Y171-V214 HydrophobicContact CE2-CG2 3.5Å; Y171-V214 VanDerWaalsContact CE2-CG2 3.5Å; Y171-V214 HydrophobicContact CG-CG2 4.16Å; V210-V214 WeakPolarHBondContact O-CB 3.18Å; V210-V214 PolarHBondContact O-N 2.94Å; V214-I216 HydrophobicContact CG1-CB 4.12Å; V214-I216 PolarHBondContact O-N 2.82Å; V214-A217 HydrophobicContact CB-CB 4.33Å; V214-A217 WeakPolarHBondContact O-CB 3.24Å; V214-A217 PolarHBondContact O-N 2.94Å; V214-A217 VanDerWaalsContact O-N 3.1Å; V214-I300 HydrophobicContact CB-CD1 4.15Å; V214-I300 HydrophobicContact CG1-CD1 3.86Å; V214-I300 HydrophobicContact CG2-CD1 4.18Å
215P91.7Very high92.7Very high79 Ų7957 Ų5751%0.51326%0.26SS..G310 helixtrans-64.9-26.3-176.625.2-34.3000113.5V213 A217 R218V213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-A217 VanDerWaalsContact C-N 3.29Å; P215-A217 PolarHBondContact O-N 2.91Å; P215-R218 WeakPolarHBondContact O-CB 3.5Å; P215-R218 PolarHBondContact O-N 2.85Å
216I89.7Confident92.8Very high54 Ų5453.8 Ų53.828%0.27725%0.246SC..G310 helixtrans-63.6-36176.9-61.6168.3000110.8T173 V214 R218 R219 T222 I300 E302T173-I216 HydrophobicContact CG2-CD1 4.25Å; V214-I216 HydrophobicContact CG1-CB 4.12Å; V214-I216 PolarHBondContact O-N 2.82Å; I216-R218 PolarHBondContact O-N 2.75Å; I216-R218 VanDerWaalsContact O-N 3.17Å; I216-R219 PolarHBondContact O-N 3.48Å; I216-T222 PolarHBondContact O-OG1 2.69Å; I216-I300 HydrophobicContact CG2-CG2 4.47Å; I216-E302 HydrophobicContact CG2-CB 4.02Å; I216-E302 HydrophobicContact CG2-CG 4.09Å; I216-E302 WeakPolarHBondContact CG2-OE2 3.37Å
217A91.9Very high92.8Very high0 Ų053.8 Ų53.80%025%0.246CC..G310 helixtrans-65.7-18179.900000113.8V210 R211 V214 P215 M224 T247 I300V210-A217 HydrophobicContact CG1-CB 4.01Å; R211-A217 HydrophobicContact CG-CB 4.25Å; V214-A217 HydrophobicContact CB-CB 4.33Å; V214-A217 WeakPolarHBondContact O-CB 3.24Å; V214-A217 PolarHBondContact O-N 2.94Å; V214-A217 VanDerWaalsContact O-N 3.1Å; P215-A217 VanDerWaalsContact C-N 3.29Å; P215-A217 PolarHBondContact O-N 2.91Å; A217-M224 HydrophobicContact CB-SD 4.06Å; A217-T247 WeakPolarHBondContact O-CB 3.36Å; A217-T247 WeakPolarHBondContact O-CG2 3.45Å; A217-T247 PolarHBondContact O-OG1 3.39Å; A217-I300 HydrophobicContact CB-CD1 4.4Å; A217-I300 HydrophobicContact CB-CG2 4.42Å
218R91.3Very high92.9Very high163 Ų16353.9 Ų53.962%0.61525%0.246SC*.G310 helixtrans-78.8-16.2178.3-65.4-172.6-69162.7-4.8113.7R211 P215 I216 R220R211-R218 HydrophobicContact CB-CG 3.92Å; R211-R218 HydrophobicContact CG-CG 4.32Å; R211-R218 WeakPolarHBondContact O-CD 3.33Å; R211-R218 WeakPolarHBondContact O-CG 3.33Å; P215-R218 WeakPolarHBondContact O-CB 3.5Å; P215-R218 PolarHBondContact O-N 2.85Å; I216-R218 PolarHBondContact O-N 2.75Å; I216-R218 VanDerWaalsContact O-N 3.17Å; R218-R220 PolarHBondContact O-N 2.88Å
219R89.3Confident92.9Very high132 Ų13250.4 Ų50.450%0.49823%0.227SC..SBendtrans-65.2133.1-178.8-68.2-179.8172.4160.42109.8I216 G221 T222 E302I216-R219 PolarHBondContact O-N 3.48Å; R219-G221 PolarHBondContact O-N 2.77Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 VanDerWaalsContact O-CB 3.25Å; R219-T222 WeakPolarHBondContact O-CB 3.42Å; R219-T222 PolarHBondContact O-N 2.8Å; R219-T222 VanDerWaalsContact O-N 3.12Å; R219-T222 PolarHBondContact O-OG1 3.25Å; R219-E302 WeakPolarHBondContact CD-OE1 3.42Å; R219-E302 IonicContact CZ-OE1 3.45Å; R219-E302 IonicContact CZ-OE2 3.55Å; R219-E302 IonicContact NE-OE1 3.62Å; R219-E302 IonicContact NH1-OE1 2.65Å; R219-E302 PolarHBondContact NH1-OE1 2.93Å; R219-E302 IonicContact NH1-OE2 2.62Å; R219-E302 PolarHBondContact NH1-OE2 3.17Å
220R89Confident92.9Very high181 Ų18150.1 Ų50.168%0.68322%0.224SC*.THydrogen-bonded Turntrans-59.4130.5177-178175.6-175.5-162.6-1.6109.9R218 G248R218-R220 PolarHBondContact O-N 2.88Å; R220-G248 PolarHBondContact NE-O 3.08Å
221G87.3Confident92.8Very high1 Ų153.6 Ų53.61%0.0125%0.247CC..THydrogen-bonded Turntrans95.1-11.4-176.700000114.8R219 R223 T247 Y303R219-G221 PolarHBondContact O-N 2.77Å; G221-R223 PolarHBondContact O-N 3.19Å; G221-T247 PolarHBondContact N-O 3.12Å; G221-Y303 VanDerWaalsContact C-CB 3.42Å; G221-Y303 VanDerWaalsContact O-CB 3.28Å; G221-Y303 WeakPolarHBondContact O-CB 3.48Å
222T90.7Very high92.5Very high0 Ų053.8 Ų53.80%025%0.252CS..  trans-62.9128.6178.9-56.90000110.7I216 R219 I246 T247 I300 V301I216-T222 PolarHBondContact O-OG1 2.69Å; R219-T222 WeakPolarHBondContact CB-OG1 3.23Å; R219-T222 VanDerWaalsContact O-CB 3.25Å; R219-T222 WeakPolarHBondContact O-CB 3.42Å; R219-T222 PolarHBondContact O-N 2.8Å; R219-T222 VanDerWaalsContact O-N 3.12Å; R219-T222 PolarHBondContact O-OG1 3.25Å; T222-I246 WeakPolarHBondContact O-CA 2.95Å; T222-T247 PolarHBondContact O-N 3Å; T222-I300 HydrophobicContact CG2-CG2 3.63Å; T222-V301 WeakPolarHBondContact CA-O 3.4Å; T222-V301 WeakPolarHBondContact CG2-O 3.12Å
223R91.8Very high92.2Very high71 Ų7153.5 Ų53.527%0.26826%0.259SS..EExtended strand (participates in β ladder)trans-103129.5178.1-47.3-162.1-169.9158.6-13.6109.6G221 V244 I246 L277 V301 W311G221-R223 PolarHBondContact O-N 3.19Å; R223-V244 HydrophobicContact CB-CG1 4.13Å; R223-I246 HydrophobicContact CB-CG1 4.21Å; R223-I246 HydrophobicContact CG-CD1 4.18Å; R223-I246 HydrophobicContact CG-CG1 3.95Å; R223-I246 HydrophobicContact CG-CG2 4.2Å; R223-L277 VanDerWaalsContact NH2-CD1 3.33Å; R223-V301 PolarHBondContact N-O 3.12Å; R223-V301 PolarHBondContact O-N 3.38Å; R223-W311 HydrophobicContact CB-CH2 3.99Å; R223-W311 HydrophobicContact CB-CZ3 4.47Å; R223-W311 VanDerWaalsContact CD-CH2 3.48Å; R223-W311 HydrophobicContact CG-CH2 3.83Å; R223-W311 HydrophobicContact CG-CZ3 4.4Å
224M94.2Very high91.8Very high0 Ų059.8 Ų59.80%028%0.275CS..EExtended strand (participates in β ladder)trans-110.2108.7176.5-69.7169.8-70.600107.6A207 V210 A217 F226 V244 V245 T247 I300A207-M224 HydrophobicContact CB-CE 3.55Å; A207-M224 HydrophobicContact CB-SD 4.15Å; V210-M224 HydrophobicContact CB-SD 4.26Å; V210-M224 HydrophobicContact CG1-SD 4Å; A217-M224 HydrophobicContact CB-SD 4.06Å; M224-F226 HydrophobicContact CB-CD2 4.38Å; M224-F226 HydrophobicContact CB-CE2 3.67Å; M224-F226 HydrophobicContact CB-CZ 4.08Å; M224-F226 WeakPolarHBondContact O-CD2 3.37Å; M224-V244 WeakPolarHBondContact O-CA 3.1Å; M224-V245 HydrophobicContact CE-CB 4.32Å; M224-V245 HydrophobicContact CE-CG1 4.12Å; M224-V245 PolarHBondContact N-O 3.16Å; M224-V245 PolarHBondContact O-N 3.36Å; M224-T247 VanDerWaalsContact CE-OG1 3.26Å; M224-T247 WeakPolarHBondContact CE-OG1 3.34Å; M224-I300 HydrophobicContact CG-CG1 4.4Å
225H94.8Very high91.3Very high42 Ų4262.6 Ų62.619%0.19431%0.305CS..EExtended strand (participates in β ladder)trans-88.9121.3175.8-64.8-101.2000108.4H177 V244 C298 A299 W311H177-H225 PolarHBondContact CE1-O 3.42Å; H225-V244 WeakPolarHBondContact ND1-CG2 3.4Å; H225-C298 CarbonylContact O-C 3.56Å; H225-C298 VanDerWaalsContact O-CA 3.3Å; H225-C298 WeakPolarHBondContact O-CA 3.28Å; H225-A299 HydrophobicContact CB-CB 4.25Å; H225-A299 PolarHBondContact N-O 3.3Å; H225-A299 PolarHBondContact O-N 3.27Å; H225-W311 AromaticContact NE2-CH2 3.99Å; H225-W311 AromaticContact NE2-CZ3 3.42Å; H225-W311 WeakPolarHBondContact NE2-CZ3 3.32Å
226F96.4Very high91.2Very high0 Ų062 Ų620%030%0.3CS..EExtended strand (participates in β ladder)trans-102.9137.2179.6-68-89000110.9L169 L203 L206 A207 M224 Q241 L242 G243 V245 V296 D297 C298L169-F226 HydrophobicContact CD1-CD1 4.44Å; L169-F226 HydrophobicContact CD1-CE1 3.99Å; L203-F226 HydrophobicContact CD1-CD2 4.35Å; L203-F226 HydrophobicContact CD2-CB 3.76Å; L203-F226 HydrophobicContact CD2-CD1 4.14Å; L203-F226 HydrophobicContact CD2-CD2 3.77Å; L203-F226 HydrophobicContact CD2-CE2 4.37Å; L203-F226 HydrophobicContact CD2-CG 3.63Å; L206-F226 HydrophobicContact CB-CE1 3.95Å; L206-F226 HydrophobicContact CB-CZ 4.24Å; L206-F226 HydrophobicContact CD2-CD1 4.44Å; L206-F226 HydrophobicContact CD2-CE1 4.46Å; A207-F226 HydrophobicContact CB-CE2 4.39Å; A207-F226 HydrophobicContact CB-CZ 4.12Å; M224-F226 HydrophobicContact CB-CD2 4.38Å; M224-F226 HydrophobicContact CB-CE2 3.67Å; M224-F226 HydrophobicContact CB-CZ 4.08Å; M224-F226 WeakPolarHBondContact O-CD2 3.37Å; F226-Q241 PolarHBondContact O-NE2 3.17Å; F226-L242 HydrophobicContact CB-CB 3.92Å; F226-L242 HydrophobicContact CB-CD2 4.16Å; F226-L242 HydrophobicContact CB-CG 4.34Å; F226-L242 WeakPolarHBondContact O-CA 3.18Å; F226-L242 VanDerWaalsContact O-CB 3.29Å; F226-L242 WeakPolarHBondContact O-CB 3.2Å; F226-L242 PolarHBondContact O-N 3.47Å; F226-G243 PolarHBondContact N-O 2.84Å; F226-G243 PolarHBondContact O-N 3.29Å; F226-V245 HydrophobicContact CD2-CG2 4.17Å; F226-V245 HydrophobicContact CE2-CB 3.97Å; F226-V245 HydrophobicContact CE2-CG2 3.76Å; F226-V296 HydrophobicContact CD1-CG1 4.07Å; F226-D297 CarbonylContact C-O 3.57Å; F226-D297 WeakPolarHBondContact CA-O 3.4Å; F226-C298 HydrophobicContact CD1-CB 4.2Å; F226-C298 HydrophobicContact CE1-CB 4.16Å
227A96.3Very high91.3Very high0 Ų061.7 Ų61.70%030%0.296CS..EExtended strand (participates in β ladder)trans-137.1150.5172.600000110.6R239 R240 V296 D297A227-R239 HydrophobicContact CB-CG 3.77Å; A227-R240 CarbonylContact C-O 3.53Å; A227-R240 VanDerWaalsContact CA-O 3.3Å; A227-R240 WeakPolarHBondContact CA-O 3.2Å; A227-V296 CarbonylContact O-C 3.54Å; A227-V296 WeakPolarHBondContact O-CA 3.44Å; A227-D297 PolarHBondContact N-O 3.21Å; A227-D297 PolarHBondContact O-N 2.65Å
228I96.3Very high91.4Very high1 Ų162.3 Ų62.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-97.1130.7171.9-60.2171000107.7R239 R240 L242 K288 F290 D294 Y295I228-R239 CarbonylContact O-C 3.59Å; I228-R239 WeakPolarHBondContact O-CA 3.44Å; I228-R240 PolarHBondContact N-O 3.26Å; I228-R240 PolarHBondContact O-N 2.8Å; I228-L242 HydrophobicContact CD1-CD1 4.13Å; I228-L242 HydrophobicContact CG1-CD2 4.29Å; I228-K288 HydrophobicContact CD1-CB 4.17Å; I228-F290 HydrophobicContact CD1-CB 4.03Å; I228-F290 HydrophobicContact CD1-CD2 4.12Å; I228-F290 HydrophobicContact CG1-CD2 4.22Å; I228-F290 HydrophobicContact CG2-CD2 4.11Å; I228-D294 HydrophobicContact CG2-CB 3.86Å; I228-Y295 CarbonylContact C-O 3.56Å; I228-Y295 WeakPolarHBondContact CA-O 3.22Å
229V95.4Very high91.5Very high1 Ų160.3 Ų60.31%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-110.6118.5173.31770000108L180 Y183 Y237 G238 R239 Y295 D297L180-V229 HydrophobicContact CD2-CG1 4.28Å; Y183-V229 HydrophobicContact CD1-CG1 4.22Å; Y183-V229 HydrophobicContact CD2-CG1 3.94Å; Y183-V229 HydrophobicContact CE1-CG1 4.4Å; Y183-V229 HydrophobicContact CE2-CG1 4.12Å; Y183-V229 HydrophobicContact CE2-CG2 4.09Å; Y183-V229 HydrophobicContact CG-CG1 3.98Å; V229-Y237 HydrophobicContact CG1-CD1 3.78Å; V229-Y237 HydrophobicContact CG1-CG 4.27Å; V229-G238 WeakPolarHBondContact CA-O 3.31Å; V229-R239 HydrophobicContact CG2-CG 4.39Å; V229-Y295 HydrophobicContact CG1-CD2 4.46Å; V229-Y295 PolarHBondContact N-O 2.91Å; V229-Y295 PolarHBondContact O-N 3.25Å; V229-D297 HydrophobicContact CG2-CB 4.05Å
230Y94.1Very high91.8Very high68 Ų6858.1 Ų58.127%0.26729%0.286SS..EExtended strand (participates in β ladder)trans-125.2146.2-174.459.8-88.6000110.3D232 Y237 G238 R240 D294Y230-D232 PolarHBondContact O-N 2.79Å; Y230-Y237 WeakPolarHBondContact O-CA 3.35Å; Y230-G238 PolarHBondContact N-O 3.32Å; Y230-G238 PolarHBondContact O-N 3.15Å; Y230-R240 HydrophobicContact CE1-CB 4.09Å; Y230-D294 VanDerWaalsContact CB-OD1 3.25Å; Y230-D294 WeakPolarHBondContact CB-OD1 3.39Å
231P92.5Very high92Very high74 Ų7453.7 Ų53.748%0.48127%0.273SS..EExtended strand (participates in β ladder)trans-70.5125.1172.229.6-32.8000109.7Y237P231-Y237 HydrophobicContact CB-CD1 4.45Å; P231-Y237 HydrophobicContact CB-CE1 4.11Å
232D89.1Confident92.3Very high57 Ų5753.7 Ų53.731%0.30527%0.273SS..  trans-79.6152169.9-172.715.4000110.2Y230 R234 G235 T236Y230-D232 PolarHBondContact O-N 2.79Å; D232-R234 PolarHBondContact O-N 3.2Å; D232-G235 PolarHBondContact O-N 2.88Å; D232-T236 WeakPolarHBondContact CA-O 3.06Å; D232-T236 WeakPolarHBondContact CB-O 3.46Å; D232-T236 PolarHBondContact N-O 3.13Å
233S87.1Confident92.5Very high118 Ų11853.9 Ų53.983%0.82527%0.274SS*.THydrogen-bonded Turntrans-50.7-25.2172.358.90000114.1G235S233-G235 VanDerWaalsContact C-N 3.25Å; S233-G235 PolarHBondContact O-N 3.4Å
234R85.8Confident92.5Very high207 Ų20751.6 Ų51.678%0.78127%0.269SS*.THydrogen-bonded Turntrans-80.2-0.7179-57.1-179.669-178.61.3113.9D232 T236D232-R234 PolarHBondContact O-N 3.2Å; R234-T236 VanDerWaalsContact C-N 3.27Å; R234-T236 PolarHBondContact O-N 3.46Å
235G83.5Confident92.5Very high65 Ų6551.6 Ų51.667%0.6727%0.269SS*.SBendtrans79.85.8-175.700000114.3D232 S233D232-G235 PolarHBondContact O-N 2.88Å; S233-G235 VanDerWaalsContact C-N 3.25Å; S233-G235 PolarHBondContact O-N 3.4Å
236T88.2Confident92.3Very high67 Ų6749.9 Ų49.941%0.41126%0.261SS..SBendtrans-98.4159172.252.90000110.4D232 R234D232-T236 WeakPolarHBondContact CA-O 3.06Å; D232-T236 WeakPolarHBondContact CB-O 3.46Å; D232-T236 PolarHBondContact N-O 3.13Å; R234-T236 VanDerWaalsContact C-N 3.27Å; R234-T236 PolarHBondContact O-N 3.46Å
237Y92.6Very high92Very high48 Ų4850.3 Ų50.319%0.18826%0.264CS..EExtended strand (participates in β ladder)trans-88.4139.1170.1-74.7-92000111.4L180 Y183 V229 Y230 P231 Y295L180-Y237 WeakPolarHBondContact CD1-O 3.47Å; Y183-Y237 WeakPolarHBondContact O-CE2 3.39Å; V229-Y237 HydrophobicContact CG1-CD1 3.78Å; V229-Y237 HydrophobicContact CG1-CG 4.27Å; Y230-Y237 WeakPolarHBondContact O-CA 3.35Å; P231-Y237 HydrophobicContact CB-CD1 4.45Å; P231-Y237 HydrophobicContact CB-CE1 4.11Å; Y237-Y295 HydrophobicContact CE1-CD2 4.12Å; Y237-Y295 AromaticContact CE1-CE2 3.67Å; Y237-Y295 HydrophobicContact CE1-CE2 3.67Å
238G93.4Very high91.4Very high13 Ų1352.4 Ų52.413%0.13429%0.285CS..EExtended strand (participates in β ladder)trans-104.5161.116900000111.2V229 Y230V229-G238 WeakPolarHBondContact CA-O 3.31Å; Y230-G238 PolarHBondContact N-O 3.32Å; Y230-G238 PolarHBondContact O-N 3.15Å
239R94Very high90.1Very high120 Ų12057 Ų5745%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-127.8135.6175-175.9174.765-164.61110.8L180 A227 I228 V229L180-R239 HydrophobicContact CD2-CB 3.95Å; A227-R239 HydrophobicContact CB-CG 3.77Å; I228-R239 CarbonylContact O-C 3.59Å; I228-R239 WeakPolarHBondContact O-CA 3.44Å; V229-R239 HydrophobicContact CG2-CG 4.39Å
240R94.7Very high88.3Confident87 Ų8759.4 Ų59.433%0.32833%0.328SS..EExtended strand (participates in β ladder)trans-122.8128.3174.1-176.6-175.8-60148.79.1109.4A227 I228 Y230 L242 K288 K289A227-R240 CarbonylContact C-O 3.53Å; A227-R240 VanDerWaalsContact CA-O 3.3Å; A227-R240 WeakPolarHBondContact CA-O 3.2Å; I228-R240 PolarHBondContact N-O 3.26Å; I228-R240 PolarHBondContact O-N 2.8Å; Y230-R240 HydrophobicContact CE1-CB 4.09Å; R240-L242 PolarHBondContact O-N 3.18Å; R240-K288 PolarHBondContact NH1-O 2.62Å; R240-K289 PolarHBondContact NH1-O 3.11Å
241Q94.3Very high86.5Confident88 Ų8860.5 Ų60.541%0.41135%0.345SS..EExtended strand (participates in β ladder)trans-68.7130.5175.7-170.364.626.600110.4F226 G243F226-Q241 PolarHBondContact O-NE2 3.17Å; Q241-G243 PolarHBondContact NE2-O 2.98Å
242L93.4Very high84.3Confident1 Ų163.9 Ų63.91%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-90.8-61.7178.3-172.351.2000110L203 F226 I228 R240 V283 L285 K288L203-L242 HydrophobicContact CD1-CG 4.13Å; L203-L242 HydrophobicContact CD2-CD2 3.33Å; L203-L242 HydrophobicContact CD2-CG 3.64Å; L203-L242 HydrophobicContact CG-CD2 4.3Å; L203-L242 HydrophobicContact CG-CG 4.17Å; F226-L242 HydrophobicContact CB-CB 3.92Å; F226-L242 HydrophobicContact CB-CD2 4.16Å; F226-L242 HydrophobicContact CB-CG 4.34Å; F226-L242 WeakPolarHBondContact O-CA 3.18Å; F226-L242 VanDerWaalsContact O-CB 3.29Å; F226-L242 WeakPolarHBondContact O-CB 3.2Å; F226-L242 PolarHBondContact O-N 3.47Å; I228-L242 HydrophobicContact CD1-CD1 4.13Å; I228-L242 HydrophobicContact CG1-CD2 4.29Å; R240-L242 PolarHBondContact O-N 3.18Å; L242-V283 HydrophobicContact CD1-CG1 4.08Å; L242-L285 HydrophobicContact CD2-CD2 3.87Å; L242-K288 HydrophobicContact CD1-CB 3.29Å; L242-K288 HydrophobicContact CD1-CD 3.79Å; L242-K288 HydrophobicContact CD1-CG 3.32Å; L242-K288 WeakPolarHBondContact O-CE 3.48Å; L242-K288 PolarHBondContact O-NZ 3.26Å
243G93.7Very high82.2Confident3 Ų365.7 Ų65.73%0.03138%0.377CS..EExtended strand (participates in β ladder)trans174.1-169.4179.700000112F226 Q241 D280F226-G243 PolarHBondContact N-O 2.84Å; F226-G243 PolarHBondContact O-N 3.29Å; Q241-G243 PolarHBondContact NE2-O 2.98Å; G243-D280 WeakPolarHBondContact CA-OD2 3.25Å
244V93.1Very high80.6Confident24 Ų2466.8 Ų66.815%0.14537%0.372CS..EExtended strand (participates in β ladder)trans-128.7134.5176.4-172.10000110.2R223 M224 H225 I246 D280R223-V244 HydrophobicContact CB-CG1 4.13Å; M224-V244 WeakPolarHBondContact O-CA 3.1Å; H225-V244 WeakPolarHBondContact ND1-CG2 3.4Å; V244-I246 HydrophobicContact CG1-CG1 4.2Å; V244-D280 PolarHBondContact N-OD2 3.16Å; V244-D280 PolarHBondContact O-N 2.75Å
245V93.3Very high78.5Confident0 Ų065.5 Ų65.50%038%0.375CS..EExtended strand (participates in β ladder)trans-118.7141.3173.71800000110.2L203 A207 M224 F226 D279L203-V245 HydrophobicContact CB-CG2 3.5Å; L203-V245 HydrophobicContact CD1-CG2 4.26Å; L203-V245 HydrophobicContact CG-CG2 4.46Å; A207-V245 HydrophobicContact CB-CB 4.16Å; A207-V245 HydrophobicContact CB-CG1 3.69Å; A207-V245 HydrophobicContact CB-CG2 4.47Å; M224-V245 HydrophobicContact CE-CB 4.32Å; M224-V245 HydrophobicContact CE-CG1 4.12Å; M224-V245 PolarHBondContact N-O 3.16Å; M224-V245 PolarHBondContact O-N 3.36Å; F226-V245 HydrophobicContact CD2-CG2 4.17Å; F226-V245 HydrophobicContact CE2-CB 3.97Å; F226-V245 HydrophobicContact CE2-CG2 3.76Å; V245-D279 WeakPolarHBondContact CA-OD1 3.46Å
246I91.7Very high76.9Confident5 Ų568 Ų683%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-124.3121.9-173.9-52.4170.8000111.2T222 R223 V244 Y249 L277 D279T222-I246 WeakPolarHBondContact O-CA 2.95Å; R223-I246 HydrophobicContact CB-CG1 4.21Å; R223-I246 HydrophobicContact CG-CD1 4.18Å; R223-I246 HydrophobicContact CG-CG1 3.95Å; R223-I246 HydrophobicContact CG-CG2 4.2Å; V244-I246 HydrophobicContact CG1-CG1 4.2Å; I246-Y249 HydrophobicContact CB-CD2 4.27Å; I246-Y249 HydrophobicContact CG2-CD2 3.47Å; I246-Y249 VanDerWaalsContact CG2-CD2 3.47Å; I246-Y249 HydrophobicContact CG2-CE2 3.67Å; I246-L277 HydrophobicContact CB-CD2 4.44Å; I246-L277 HydrophobicContact CD1-CB 4.49Å; I246-L277 HydrophobicContact CD1-CD1 3.43Å; I246-L277 VanDerWaalsContact CD1-CD1 3.43Å; I246-L277 HydrophobicContact CD1-CD2 3.46Å; I246-L277 VanDerWaalsContact CD1-CD2 3.46Å; I246-L277 HydrophobicContact CD1-CG 3.16Å; I246-L277 HydrophobicContact CG2-CD2 4.01Å; I246-D279 PolarHBondContact N-OD1 3.44Å; I246-D279 VanDerWaalsContact N-OD1 3.12Å
247T90.5Very high74.6Confident10 Ų1071.5 Ų71.56%0.06139%0.388CS..THydrogen-bonded Turntrans-72.9131.6-177.2-59.80000111.2R211 A217 G221 T222 M224R211-T247 PolarHBondContact NE-OG1 2.71Å; A217-T247 WeakPolarHBondContact O-CB 3.36Å; A217-T247 WeakPolarHBondContact O-CG2 3.45Å; A217-T247 PolarHBondContact O-OG1 3.39Å; G221-T247 PolarHBondContact N-O 3.12Å; T222-T247 PolarHBondContact O-N 3Å; M224-T247 VanDerWaalsContact CE-OG1 3.26Å; M224-T247 WeakPolarHBondContact CE-OG1 3.34Å
248G82.6Confident72.3Confident44 Ų4477.1 Ų77.145%0.45442%0.422SS..THydrogen-bonded Turntrans84.411.816900000115.7R220R220-G248 PolarHBondContact NE-O 3.08Å
249Y69.7Low69.7Low97 Ų9783.8 Ų83.838%0.3845%0.454SS..SBendtrans-108.4116.2156-56.7-79.1000106I246 S251 L277I246-Y249 HydrophobicContact CB-CD2 4.27Å; I246-Y249 HydrophobicContact CG2-CD2 3.47Å; I246-Y249 VanDerWaalsContact CG2-CD2 3.47Å; I246-Y249 HydrophobicContact CG2-CE2 3.67Å; Y249-S251 PolarHBondContact O-N 3.03Å; Y249-L277 HydrophobicContact CD2-CD2 3.72Å; Y249-L277 HydrophobicContact CE2-CD2 3.6Å; Y249-L277 HydrophobicContact CG-CD2 4.4Å
250G57.2Low67.6Low52 Ų5282.7 Ų82.754%0.53647%0.465SS..  trans-66.5134.2-17800000109.9N252 S253G250-N252 PolarHBondContact O-N 2.84Å; G250-S253 PolarHBondContact O-N 2.62Å; G250-S253 PolarHBondContact O-OG 3.09Å
251S55.1Low65.2Low90 Ų9084.8 Ų84.863%0.62949%0.488SS*.THydrogen-bonded Turntrans-52.3-6.1167.7-179.60000114Y249Y249-S251 PolarHBondContact O-N 3.03Å
252N47Very low62.8Low145 Ų14587.1 Ų87.178%0.77550%0.503SS*.THydrogen-bonded Turntrans-109.413.5-171.7-56.3-1.1000113G250G250-N252 PolarHBondContact O-N 2.84Å
253S45.6Very low60.4Low96 Ų9693 Ų9367%0.67154%0.539SS*.SBendtrans-10514.7175.966.50000114.5G250G250-S253 PolarHBondContact O-N 2.62Å; G250-S253 PolarHBondContact O-OG 3.09Å
254I53.7Low58.3Low141 Ų14199.6 Ų99.672%0.72358%0.579SS**  trans-124.752.6167.5-44.1177.3000108.8
255E41Very low55.9Low179 Ų179104.8 Ų104.884%0.83661%0.611SS**  trans-96.484.7145-68.2-161.4170.400105.6D257E255-D257 PolarHBondContact O-N 3.09Å
256L51.2Low53.3Low119 Ų119110.4 Ų110.462%0.62364%0.641SS**  trans-78.5112.2158.7-90148.2000105.7N258L256-N258 PolarHBondContact O-N 2.74Å
257D38.4Very low51.1Low139 Ų139121.9 Ų121.974%0.74368%0.684SS**  trans-3297.2174-62.7-46.2000113.3E255 N259E255-D257 PolarHBondContact O-N 3.09Å; D257-N259 PolarHBondContact O-N 3.49Å
258N44.5Very low48.5Very low167 Ų167127.6 Ų127.689%0.89371%0.714SS**THydrogen-bonded Turntrans-83.926.4169.2-79.2-32.8000112.1L256L256-N258 PolarHBondContact O-N 2.74Å
259N40.1Very low46.9Very low152 Ų152132.1 Ų132.181%0.81373%0.728SS**THydrogen-bonded Turntrans-147.126.6-176-135.714.2000116.9D257D257-N259 PolarHBondContact O-N 3.49Å
260S49.1Very low45.4Very low98 Ų98136 Ų13669%0.68576%0.755SS**  trans-118.583.7166.6-76.10000111.3D262S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 PolarHBondContact O-N 3.19Å; S260-D262 VanDerWaalsContact O-N 3.16Å
261T43.7Very low45.2Very low130 Ų130140.1 Ų140.180%0.79876%0.764SS**  trans-60.4100.3135.948.80000106
262D44.2Very low44.7Very low138 Ų138144.1 Ų144.174%0.73877%0.772SS**  trans176.6110.5146.6-83.6-17.5000109.8S260S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 PolarHBondContact O-N 3.19Å; S260-D262 VanDerWaalsContact O-N 3.16Å
263T42.3Very low44.4Very low125 Ų125147.5 Ų147.577%0.76777%0.774SS**  trans16.8109.6139.630.20000117.5
264T49.3Very low44.3Very low141 Ų141147.2 Ų147.287%0.86577%0.77SS**  -179.7125112.828.70000111
265T42.9Very low43.9Very low132 Ų132149 Ų14981%0.8177%0.773SS**  trans-59.2151.4170.748.40000112.4
266N40Very low44.3Very low118 Ų118148.6 Ų148.663%0.63178%0.776SS**  trans87.187.3150-158.4-9.8000116.9N268N266-N268 PolarHBondContact OD1-ND2 3.13Å; N266-N268 PolarHBondContact OD1-OD1 3.13Å
267R44.1Very low44.8Very low246 Ų246145.1 Ų145.193%0.92876%0.758SS**  trans-140.9118.8138.6-71-163.6-177.1144.24.3111.7
268N37.3Very low46.4Very low130 Ų130144.4 Ų144.470%0.69575%0.753SS**  trans-80115.7-172.6-41.4-41.3000107.8N266N266-N268 PolarHBondContact OD1-ND2 3.13Å; N266-N268 PolarHBondContact OD1-OD1 3.13Å
269N47.5Very low48.4Very low139 Ų139139 Ų13974%0.74372%0.724SS**  trans-153.398.9161.8-82.3-34.8000108I271N269-I271 PolarHBondContact O-N 3.48Å
270N39.9Very low50.9Low178 Ų178134 Ų13495%0.95270%0.697SS**  trans-6375.1165.5-81-18.6000109.7
271I52.1Low52.9Low140 Ų140130 Ų13072%0.71867%0.67SS**  trans-107.897.9163.6-58.7173.8000105.4N269 R273N269-I271 PolarHBondContact O-N 3.48Å; I271-R273 PolarHBondContact O-N 2.71Å
272Q45.8Very low55.2Low174 Ų174128.6 Ų128.681%0.81367%0.665SS**  trans-27.6103.3170.3-139123.4-800111P274Q272-P274 WeakPolarHBondContact O-CD 3.43Å
273R40.6Very low57.5Low216 Ų216123.3 Ų123.382%0.81564%0.638SS**  trans-62.7105.6167.3-65.5-177.6-177.5-130.11.4106I271 F275I271-R273 PolarHBondContact O-N 2.71Å; R273-F275 PolarHBondContact O-N 2.83Å
274P43.1Very low60Low89 Ų89119 Ų11958%0.57861%0.612SS**  trans-85.593.6-168.131.8-24.8000108.1Q272Q272-P274 WeakPolarHBondContact O-CD 3.43Å
275F44.1Very low62.2Low179 Ų179112.4 Ų112.479%0.78557%0.571SS**  trans65.3133.3165.8-48-79.8000114.9R273 L277R273-F275 PolarHBondContact O-N 2.83Å; F275-L277 PolarHBondContact O-N 3.37Å
276N50.7Low64.6Low170 Ų170111 Ų11191%0.90956%0.557SS**  trans-66.582.6166.8-71.3-20.5000108I278N276-I278 PolarHBondContact O-N 3.3Å; N276-I278 VanDerWaalsContact O-N 3.13Å
277L61.6Low67.1Low47 Ų47108.7 Ų108.725%0.24655%0.551CS.*  trans-82.597.9-173-16962.3000106.7R223 I246 Y249 F275 D279R223-L277 VanDerWaalsContact NH2-CD1 3.33Å; I246-L277 HydrophobicContact CB-CD2 4.44Å; I246-L277 HydrophobicContact CD1-CB 4.49Å; I246-L277 HydrophobicContact CD1-CD1 3.43Å; I246-L277 VanDerWaalsContact CD1-CD1 3.43Å; I246-L277 HydrophobicContact CD1-CD2 3.46Å; I246-L277 VanDerWaalsContact CD1-CD2 3.46Å; I246-L277 HydrophobicContact CD1-CG 3.16Å; I246-L277 HydrophobicContact CG2-CD2 4.01Å; Y249-L277 HydrophobicContact CD2-CD2 3.72Å; Y249-L277 HydrophobicContact CE2-CD2 3.6Å; Y249-L277 HydrophobicContact CG-CD2 4.4Å; F275-L277 PolarHBondContact O-N 3.37Å; L277-D279 PolarHBondContact O-N 2.87Å; L277-D279 VanDerWaalsContact O-N 3.13Å
278I72.4Confident69.4Low124 Ų124100.3 Ų100.364%0.63652%0.521SS*.  trans-61.2114.6-178.4-58.8163.5000107.6N276N276-I278 PolarHBondContact O-N 3.3Å; N276-I278 VanDerWaalsContact O-N 3.13Å
279D86.5Confident72.1Confident54 Ų54101.7 Ų101.729%0.28952%0.521SS..  trans-117.3113.7176.6-171.247.7000108.5V245 I246 L277 S281V245-D279 WeakPolarHBondContact CA-OD1 3.46Å; I246-D279 PolarHBondContact N-OD1 3.44Å; I246-D279 VanDerWaalsContact N-OD1 3.12Å; L277-D279 PolarHBondContact O-N 2.87Å; L277-D279 VanDerWaalsContact O-N 3.13Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.44Å; D279-S281 PolarHBondContact OD1-OG 3.21Å; D279-S281 VanDerWaalsContact OD1-OG 3.09Å; D279-S281 WeakPolarHBondContact OD2-CB 3.47Å; D279-S281 PolarHBondContact OD2-OG 2.92Å
280D91.8Very high74.3Confident46 Ų4695.7 Ų95.725%0.24649%0.488CS..  trans-95.224.8-177-64.8-45.2000111.5L203 G243 V244 S282 V283L203-D280 HydrophobicContact CD1-CB 4.05Å; G243-D280 WeakPolarHBondContact CA-OD2 3.25Å; V244-D280 PolarHBondContact N-OD2 3.16Å; V244-D280 PolarHBondContact O-N 2.75Å; D280-S282 PolarHBondContact O-N 3.1Å; D280-V283 HydrophobicContact CB-CB 4.45Å; D280-V283 HydrophobicContact CB-CG2 3.84Å; D280-V283 VanDerWaalsContact O-CB 3.32Å; D280-V283 WeakPolarHBondContact O-CB 3.49Å; D280-V283 WeakPolarHBondContact O-CG2 3.49Å; D280-V283 PolarHBondContact O-N 3.47Å
281S91.5Very high76.9Confident14 Ų1493.8 Ų93.810%0.09847%0.474CS..THydrogen-bonded Turntrans-50.9-33.3-173.2-75.10000114.5L203 A204 D279L203-S281 PolarHBondContact N-O 3.19Å; A204-S281 PolarHBondContact N-O 3.43Å; A204-S281 VanDerWaalsContact N-O 3.09Å; D279-S281 VanDerWaalsContact C-N 3.28Å; D279-S281 PolarHBondContact O-N 3.44Å; D279-S281 PolarHBondContact OD1-OG 3.21Å; D279-S281 VanDerWaalsContact OD1-OG 3.09Å; D279-S281 WeakPolarHBondContact OD2-CB 3.47Å; D279-S281 PolarHBondContact OD2-OG 2.92Å
282S91.4Very high78.9Confident101 Ų10193.9 Ų93.971%0.70647%0.474SS*.THydrogen-bonded Turntrans-82.7-9.1-17960.10000114.7D280 T284D280-S282 PolarHBondContact O-N 3.1Å; S282-T284 PolarHBondContact O-N 3.31Å
283V92.3Very high81.2Confident26 Ų2688 Ų8816%0.15846%0.46CS..  trans-67129.5-179.8173.80000109.9T202 L203 L242 D280 S287 K288T202-V283 CarbonylContact C-O 3.54Å; T202-V283 WeakPolarHBondContact CA-O 3.42Å; L203-V283 HydrophobicContact CD1-CB 4.09Å; L203-V283 HydrophobicContact CD1-CG1 4.45Å; L203-V283 HydrophobicContact CG-CB 4.27Å; L203-V283 PolarHBondContact N-O 3.45Å; L242-V283 HydrophobicContact CD1-CG1 4.08Å; D280-V283 HydrophobicContact CB-CB 4.45Å; D280-V283 HydrophobicContact CB-CG2 3.84Å; D280-V283 VanDerWaalsContact O-CB 3.32Å; D280-V283 WeakPolarHBondContact O-CB 3.49Å; D280-V283 WeakPolarHBondContact O-CG2 3.49Å; D280-V283 PolarHBondContact O-N 3.47Å; V283-S287 WeakPolarHBondContact CG1-OG 3.41Å; V283-K288 HydrophobicContact CG1-CD 4.46Å; V283-K288 HydrophobicContact CG1-CG 3.92Å
284T95.1Very high83.8Confident36 Ų3678.5 Ų78.522%0.22143%0.426CS..BIsolated β-bridgetrans-99.2157.2-179.863.60000112.7D200 A201 T202 S282 L286 S287D200-T284 WeakPolarHBondContact O-CG2 3.49Å; A201-T284 CarbonylContact O-C 3.5Å; A201-T284 VanDerWaalsContact O-CA 3.24Å; A201-T284 WeakPolarHBondContact O-CA 3.33Å; T202-T284 HydrophobicContact CG2-CG2 3.91Å; S282-T284 PolarHBondContact O-N 3.31Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; T284-S287 PolarHBondContact N-OG 2.74Å; T284-S287 PolarHBondContact O-N 3.25Å; T284-S287 PolarHBondContact O-OG 2.78Å; T284-S287 PolarHBondContact OG1-N 3.36Å
285L95.1Very high86.3Confident1 Ų176 Ų761%0.00541%0.405CS..THydrogen-bonded Turntrans-57.9-39172.9-66.7176.9000112.1M165 L167 T197 I199 A201 L206 L242 S287 K288 K289 F290 V296M165-L285 HydrophobicContact CE-CD1 3.91Å; L167-L285 HydrophobicContact CD1-CD1 4.09Å; L167-L285 HydrophobicContact CD2-CD1 4.39Å; T197-L285 HydrophobicContact CG2-CD1 4.34Å; I199-L285 HydrophobicContact CD1-CB 4.08Å; I199-L285 CarbonylContact O-C 3.51Å; I199-L285 WeakPolarHBondContact O-CB 3.44Å; A201-L285 HydrophobicContact CB-CD1 4.23Å; A201-L285 PolarHBondContact O-N 3.01Å; L206-L285 HydrophobicContact CD1-CD1 4.39Å; L206-L285 HydrophobicContact CD2-CD2 4.04Å; L242-L285 HydrophobicContact CD2-CD2 3.87Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.31Å; L285-K288 PolarHBondContact O-N 3.25Å; L285-K289 PolarHBondContact O-N 3.39Å; L285-F290 HydrophobicContact CB-CB 3.92Å; L285-F290 HydrophobicContact CB-CG 4.27Å; L285-F290 HydrophobicContact CD2-CB 4.37Å; L285-F290 HydrophobicContact CD2-CD2 4.26Å; L285-F290 HydrophobicContact CD2-CG 4.27Å; L285-F290 WeakPolarHBondContact O-CB 3.25Å; L285-F290 PolarHBondContact O-N 3.07Å; L285-V296 HydrophobicContact CD2-CG2 4.5Å
286L93.5Very high88.8Confident102 Ų10267.5 Ų67.553%0.53437%0.368SS..G310 helixtrans-59-45177.1-175.763.4000111.4I199 T284 K288 K289I199-L286 HydrophobicContact CG1-CB 4.03Å; I199-L286 HydrophobicContact CG1-CD1 3.89Å; I199-L286 HydrophobicContact CG2-CD1 4.15Å; I199-L286 WeakPolarHBondContact O-CA 3.29Å; I199-L286 VanDerWaalsContact O-CB 3.24Å; I199-L286 WeakPolarHBondContact O-CB 3.34Å; I199-L286 PolarHBondContact O-N 3.47Å; T284-L286 VanDerWaalsContact C-N 3.25Å; T284-L286 PolarHBondContact O-N 2.89Å; L286-K288 PolarHBondContact O-N 3.18Å; L286-K288 VanDerWaalsContact O-N 3.11Å; L286-K289 PolarHBondContact O-N 2.98Å
287S92.5Very high90.9Very high70 Ų7059.4 Ų59.449%0.4933%0.325SS..G310 helixtrans-59.5-27-178.475.70000112.8V283 T284 L285V283-S287 WeakPolarHBondContact CG1-OG 3.41Å; T284-S287 PolarHBondContact N-OG 2.74Å; T284-S287 PolarHBondContact O-N 3.25Å; T284-S287 PolarHBondContact O-OG 2.78Å; T284-S287 PolarHBondContact OG1-N 3.36Å; L285-S287 VanDerWaalsContact C-N 3.35Å; L285-S287 PolarHBondContact O-N 3.31Å
288K93.2Very high92.6Very high71 Ų7157.2 Ų57.231%0.30931%0.313SS..G310 helixtrans-108.618.1-173.9-66-108.4178162.20113.3I228 R240 L242 V283 L285 L286 F290I228-K288 HydrophobicContact CD1-CB 4.17Å; R240-K288 PolarHBondContact NH1-O 2.62Å; L242-K288 HydrophobicContact CD1-CB 3.29Å; L242-K288 HydrophobicContact CD1-CD 3.79Å; L242-K288 HydrophobicContact CD1-CG 3.32Å; L242-K288 WeakPolarHBondContact O-CE 3.48Å; L242-K288 PolarHBondContact O-NZ 3.26Å; V283-K288 HydrophobicContact CG1-CD 4.46Å; V283-K288 HydrophobicContact CG1-CG 3.92Å; L285-K288 PolarHBondContact O-N 3.25Å; L286-K288 PolarHBondContact O-N 3.18Å; L286-K288 VanDerWaalsContact O-N 3.11Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.91Å
289K92.9Very high93.7Very high158 Ų15851.4 Ų51.469%0.68728%0.283SS*.THydrogen-bonded Turntrans55.143.2175-52.1176.9179-179.60111.7R240 L285 L286R240-K289 PolarHBondContact NH1-O 3.11Å; L285-K289 PolarHBondContact O-N 3.39Å; L286-K289 PolarHBondContact O-N 2.98Å
290F95Very high94.1Very high14 Ų1448.9 Ų48.96%0.06127%0.27CS..  trans-63.7140168.3-179.8-90.3000109.4M165 L167 I199 I228 L285 K288 D294 V296M165-F290 HydrophobicContact CE-CD1 3.8Å; M165-F290 HydrophobicContact CE-CE1 3.61Å; M165-F290 HydrophobicContact SD-CD1 4.45Å; M165-F290 HydrophobicContact SD-CE1 4.03Å; L167-F290 HydrophobicContact CD1-CE1 3.8Å; L167-F290 HydrophobicContact CD1-CE2 3.77Å; L167-F290 HydrophobicContact CD1-CZ 3.27Å; I199-F290 HydrophobicContact CD1-CB 3.88Å; I199-F290 HydrophobicContact CD1-CD1 3.54Å; I199-F290 HydrophobicContact CD1-CG 4.18Å; I199-F290 WeakPolarHBondContact CD1-O 3.26Å; I228-F290 HydrophobicContact CD1-CB 4.03Å; I228-F290 HydrophobicContact CD1-CD2 4.12Å; I228-F290 HydrophobicContact CG1-CD2 4.22Å; I228-F290 HydrophobicContact CG2-CD2 4.11Å; L285-F290 HydrophobicContact CB-CB 3.92Å; L285-F290 HydrophobicContact CB-CG 4.27Å; L285-F290 HydrophobicContact CD2-CB 4.37Å; L285-F290 HydrophobicContact CD2-CD2 4.26Å; L285-F290 HydrophobicContact CD2-CG 4.27Å; L285-F290 WeakPolarHBondContact O-CB 3.25Å; L285-F290 PolarHBondContact O-N 3.07Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.91Å; F290-D294 HydrophobicContact CD2-CB 3.86Å; F290-D294 HydrophobicContact CE2-CB 3.51Å; F290-D294 HydrophobicContact CZ-CB 4.02Å; F290-D294 WeakPolarHBondContact CZ-O 3.41Å; F290-V296 HydrophobicContact CD2-CG2 4.34Å; F290-V296 HydrophobicContact CE2-CG2 3.85Å
291Q94.9Very high94Very high138 Ų13847.2 Ų47.265%0.64526%0.262SS*.  trans-122.1150.8173.8-65.3-172.7-18.400110.6G293 D294Q291-G293 PolarHBondContact O-N 3.12Å; Q291-D294 PolarHBondContact N-OD2 2.96Å; Q291-D294 VanDerWaalsContact O-CB 3.25Å; Q291-D294 WeakPolarHBondContact O-CB 3.36Å; Q291-D294 PolarHBondContact O-N 3.02Å
292I94.1Very high93.7Very high141 Ų14149.6 Ų49.672%0.72327%0.271SS*.THydrogen-bonded Turntrans-61.3125174.2-60.1170.8000108.4M165M165-I292 HydrophobicContact CB-CD1 4.32Å; M165-I292 HydrophobicContact CB-CG1 4.33Å; M165-I292 HydrophobicContact SD-CD1 4.4Å; M165-I292 HydrophobicContact SD-CG1 3.74Å
293G92.8Very high92.8Very high51 Ų5149.7 Ų49.753%0.52626%0.257SS..THydrogen-bonded Turntrans105.5-14.9-173.500000113.8Q291Q291-G293 PolarHBondContact O-N 3.12Å
294D95.3Very high91.6Very high17 Ų1752.1 Ų52.19%0.09127%0.272CS..  trans-70.5152.8166.2-65.4-18.2000110.3I228 Y230 F290 Q291I228-D294 HydrophobicContact CG2-CB 3.86Å; Y230-D294 VanDerWaalsContact CB-OD1 3.25Å; Y230-D294 WeakPolarHBondContact CB-OD1 3.39Å; F290-D294 HydrophobicContact CD2-CB 3.86Å; F290-D294 HydrophobicContact CE2-CB 3.51Å; F290-D294 HydrophobicContact CZ-CB 4.02Å; F290-D294 WeakPolarHBondContact CZ-O 3.41Å; Q291-D294 PolarHBondContact N-OD2 2.96Å; Q291-D294 VanDerWaalsContact O-CB 3.25Å; Q291-D294 WeakPolarHBondContact O-CB 3.36Å; Q291-D294 PolarHBondContact O-N 3.02Å
295Y95.5Very high89.9Confident37 Ų3755.3 Ų55.315%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-102.3151.2173-52.5-50.1000110.6R168 F170 Y183 I228 V229 Y237R168-Y295 HydrophobicContact CB-CD1 4.27Å; F170-Y295 AromaticContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD1 3.94Å; F170-Y295 HydrophobicContact CE2-CD2 4.46Å; F170-Y295 AromaticContact CE2-CG 3.85Å; F170-Y295 HydrophobicContact CE2-CG 3.85Å; Y183-Y295 AromaticContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CD2 3.71Å; Y183-Y295 HydrophobicContact CD1-CE2 4.13Å; Y183-Y295 AromaticContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CD2 3.97Å; Y183-Y295 HydrophobicContact CE1-CG 4.43Å; I228-Y295 CarbonylContact C-O 3.56Å; I228-Y295 WeakPolarHBondContact CA-O 3.22Å; V229-Y295 HydrophobicContact CG1-CD2 4.46Å; V229-Y295 PolarHBondContact N-O 2.91Å; V229-Y295 PolarHBondContact O-N 3.25Å; Y237-Y295 HydrophobicContact CE1-CD2 4.12Å; Y237-Y295 AromaticContact CE1-CE2 3.67Å; Y237-Y295 HydrophobicContact CE1-CE2 3.67Å
296V96.6Very high88Confident0 Ų058.7 Ų58.70%033%0.328CS..EExtended strand (participates in β ladder)trans-104.1136.7167.8179.70000108.5L167 R168 L169 F170 L206 F226 A227 L285 F290L167-V296 HydrophobicContact CD1-CG2 3.88Å; L167-V296 HydrophobicContact CD2-CG2 4.13Å; L167-V296 HydrophobicContact CG-CG2 4.23Å; R168-V296 PolarHBondContact O-N 3.18Å; L169-V296 CarbonylContact C-O 3.55Å; L169-V296 VanDerWaalsContact CA-O 3.31Å; L169-V296 WeakPolarHBondContact CA-O 3.25Å; L169-V296 HydrophobicContact CB-CB 4.32Å; L169-V296 HydrophobicContact CD1-CB 4.35Å; L169-V296 HydrophobicContact CD1-CG1 3.81Å; L169-V296 HydrophobicContact CG-CB 4.26Å; L169-V296 HydrophobicContact CG-CG1 4.07Å; F170-V296 PolarHBondContact N-O 3.08Å; L206-V296 HydrophobicContact CD2-CG1 4.31Å; F226-V296 HydrophobicContact CD1-CG1 4.07Å; A227-V296 CarbonylContact O-C 3.54Å; A227-V296 WeakPolarHBondContact O-CA 3.44Å; L285-V296 HydrophobicContact CD2-CG2 4.5Å; F290-V296 HydrophobicContact CD2-CG2 4.34Å; F290-V296 HydrophobicContact CE2-CG2 3.85Å
297D95.6Very high86.1Confident0 Ų057.3 Ų57.30%033%0.327CS..EExtended strand (participates in β ladder)trans-121.8129.3176.2-178.142.4000109.8F170 H177 Y178 F226 A227 V229F170-D297 CarbonylContact O-C 3.57Å; F170-D297 WeakPolarHBondContact O-CA 3.41Å; H177-D297 WeakPolarHBondContact CA-OD2 3.03Å; H177-D297 WeakPolarHBondContact CB-OD2 3.17Å; H177-D297 PolarHBondContact CE1-O 3.36Å; H177-D297 IonicContact CE1-OD2 3.54Å; H177-D297 IonicContact CG-OD2 3.24Å; H177-D297 VanDerWaalsContact CG-OD2 3.24Å; H177-D297 IonicContact ND1-OD2 3.84Å; H177-D297 PolarHBondContact ND1-OD2 3.17Å; Y178-D297 WeakPolarHBondContact CD2-OD1 3.46Å; Y178-D297 PolarHBondContact N-OD2 2.74Å; Y178-D297 VanDerWaalsContact N-OD2 3.08Å; F226-D297 CarbonylContact C-O 3.57Å; F226-D297 WeakPolarHBondContact CA-O 3.4Å; A227-D297 PolarHBondContact N-O 3.21Å; A227-D297 PolarHBondContact O-N 2.65Å; V229-D297 HydrophobicContact CG2-CB 4.05Å
298C96.4Very high83.7Confident0 Ų061.7 Ų61.70%034%0.344CS..EExtended strand (participates in β ladder)trans-120.8113.9-174.9-176.30000110.8L169 F170 Y171 S172 H225 F226L169-C298 HydrophobicContact CD2-CB 4Å; L169-C298 HydrophobicContact CG-CB 4.44Å; F170-C298 PolarHBondContact O-N 2.73Å; Y171-C298 CarbonylContact C-O 3.5Å; Y171-C298 VanDerWaalsContact CA-O 3.26Å; Y171-C298 WeakPolarHBondContact CA-O 3.33Å; S172-C298 PolarHBondContact N-O 2.78Å; H225-C298 CarbonylContact O-C 3.56Å; H225-C298 VanDerWaalsContact O-CA 3.3Å; H225-C298 WeakPolarHBondContact O-CA 3.28Å; F226-C298 HydrophobicContact CD1-CB 4.2Å; F226-C298 HydrophobicContact CE1-CB 4.16Å
299A95.6Very high81.3Confident2 Ų262 Ų622%0.01737%0.367CS..EExtended strand (participates in β ladder)trans-93.7111.1171.100000109.7H225H225-A299 HydrophobicContact CB-CB 4.25Å; H225-A299 PolarHBondContact N-O 3.3Å; H225-A299 PolarHBondContact O-N 3.27Å
300I94.7Very high79Confident1 Ų157.5 Ų57.51%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-87.9121.2179.2-55.2171.6000107.7Y171 S172 A175 V210 V214 I216 A217 T222 M224Y171-I300 HydrophobicContact CD2-CD1 4.14Å; S172-I300 PolarHBondContact O-N 3.45Å; A175-I300 PolarHBondContact N-O 2.78Å; V210-I300 HydrophobicContact CG1-CD1 3.84Å; V210-I300 HydrophobicContact CG1-CG1 4.4Å; V214-I300 HydrophobicContact CB-CD1 4.15Å; V214-I300 HydrophobicContact CG1-CD1 3.86Å; V214-I300 HydrophobicContact CG2-CD1 4.18Å; I216-I300 HydrophobicContact CG2-CG2 4.47Å; A217-I300 HydrophobicContact CB-CD1 4.4Å; A217-I300 HydrophobicContact CB-CG2 4.42Å; T222-I300 HydrophobicContact CG2-CG2 3.63Å; M224-I300 HydrophobicContact CG-CG1 4.4Å
301V91.3Very high76.5Confident12 Ų1263.1 Ų63.17%0.07339%0.386CS..EExtended strand (participates in β ladder)trans-116.4107.2173.8-156.50000109.7A175 T222 R223 Y303 W311A175-V301 HydrophobicContact CB-CB 4.14Å; A175-V301 HydrophobicContact CB-CG1 3.56Å; A175-V301 HydrophobicContact CB-CG2 3.8Å; T222-V301 WeakPolarHBondContact CA-O 3.4Å; T222-V301 WeakPolarHBondContact CG2-O 3.12Å; R223-V301 PolarHBondContact N-O 3.12Å; R223-V301 PolarHBondContact O-N 3.38Å; V301-Y303 PolarHBondContact O-N 2.82Å; V301-W311 HydrophobicContact CB-CH2 3.59Å; V301-W311 HydrophobicContact CB-CZ2 3.55Å; V301-W311 HydrophobicContact CG1-CH2 3.66Å; V301-W311 HydrophobicContact CG1-CZ2 3.04Å; V301-W311 HydrophobicContact CG2-CH2 3.82Å; V301-W311 HydrophobicContact CG2-CZ2 4.06Å; V301-W311 HydrophobicContact CG2-CZ3 4.4Å
302E83.7Confident74.1Confident63 Ų6361.3 Ų61.329%0.29439%0.389SS..  trans-66.4132.9176.1-167.1-175.4155.100110.6I216 R219 T304I216-E302 HydrophobicContact CG2-CB 4.02Å; I216-E302 HydrophobicContact CG2-CG 4.09Å; I216-E302 WeakPolarHBondContact CG2-OE2 3.37Å; R219-E302 WeakPolarHBondContact CD-OE1 3.42Å; R219-E302 IonicContact CZ-OE1 3.45Å; R219-E302 IonicContact CZ-OE2 3.55Å; R219-E302 IonicContact NE-OE1 3.62Å; R219-E302 IonicContact NH1-OE1 2.65Å; R219-E302 PolarHBondContact NH1-OE1 2.93Å; R219-E302 IonicContact NH1-OE2 2.62Å; R219-E302 PolarHBondContact NH1-OE2 3.17Å; E302-T304 PolarHBondContact O-N 3.37Å
303Y72.7Confident71.6Confident103 Ų10359.6 Ų59.640%0.40439%0.39SS..  trans-83.1106.2164.6179.8-103.6000108.9G221 V301 P305G221-Y303 VanDerWaalsContact C-CB 3.42Å; G221-Y303 VanDerWaalsContact O-CB 3.28Å; G221-Y303 WeakPolarHBondContact O-CB 3.48Å; V301-Y303 PolarHBondContact O-N 2.82Å; Y303-P305 HydrophobicContact CD1-CB 4.46Å; Y303-P305 HydrophobicContact CE1-CB 3.88Å; Y303-P305 WeakPolarHBondContact O-CD 3.19Å
304T66.7Low69.4Low78 Ų7861.6 Ų61.648%0.47941%0.41SS..  trans-84.6107.3166.8-49.50000108.2E302 G306 S307E302-T304 PolarHBondContact O-N 3.37Å; T304-G306 PolarHBondContact O-N 3.45Å; T304-G306 VanDerWaalsContact O-N 3.17Å; T304-S307 WeakPolarHBondContact O-CB 3.07Å; T304-S307 PolarHBondContact O-N 3.36Å
305P59.3Low67.3Low103 Ų10371.9 Ų71.967%0.66945%0.448SS*.THydrogen-bonded Turntrans-57.5122.817522-30.5000109.3Y303Y303-P305 HydrophobicContact CD1-CB 4.46Å; Y303-P305 HydrophobicContact CE1-CB 3.88Å; Y303-P305 WeakPolarHBondContact O-CD 3.19Å
306G55.5Low65.3Low71 Ų7180.7 Ų80.773%0.73248%0.481SS*.THydrogen-bonded Turntrans107.5-17.1-172.400000114.4T304 L308T304-G306 PolarHBondContact O-N 3.45Å; T304-G306 VanDerWaalsContact O-N 3.17Å; G306-L308 VanDerWaalsContact C-N 3.33Å; G306-L308 PolarHBondContact O-N 2.83Å; G306-L308 VanDerWaalsContact O-N 3.11Å
307S53Low63.3Low73 Ų7386.4 Ų86.451%0.5152%0.518SS..  trans-85.575.4170.3-177.20000110.3T304 G309T304-S307 WeakPolarHBondContact O-CB 3.07Å; T304-S307 PolarHBondContact O-N 3.36Å; S307-G309 PolarHBondContact O-N 3.28Å; S307-G309 VanDerWaalsContact O-N 3.07Å
308L43.8Very low61Low163 Ų16395 Ų9585%0.85356%0.563SS**  trans-59.5107.3172.4-70.5166.5000110.7G306G306-L308 VanDerWaalsContact C-N 3.33Å; G306-L308 PolarHBondContact O-N 2.83Å; G306-L308 VanDerWaalsContact O-N 3.11Å
309G43Very low59.5Low77 Ų7797.4 Ų97.479%0.79459%0.587SS**  trans8445.114700000119.1S307S307-G309 PolarHBondContact O-N 3.28Å; S307-G309 VanDerWaalsContact O-N 3.07Å
310G43.5Very low58.1Low64 Ų64103.2 Ų103.266%0.6663%0.625SS**  trans-83.2-2.9-174.600000118.5
311W41.9Very low56.8Low131 Ų131108.4 Ų108.450%0.49666%0.659SS.*SBendtrans-114.368.7-171.2-44.9-13.8000111.9R223 H225 V301R223-W311 HydrophobicContact CB-CH2 3.99Å; R223-W311 HydrophobicContact CB-CZ3 4.47Å; R223-W311 VanDerWaalsContact CD-CH2 3.48Å; R223-W311 HydrophobicContact CG-CH2 3.83Å; R223-W311 HydrophobicContact CG-CZ3 4.4Å; H225-W311 AromaticContact NE2-CH2 3.99Å; H225-W311 AromaticContact NE2-CZ3 3.42Å; H225-W311 WeakPolarHBondContact NE2-CZ3 3.32Å; V301-W311 HydrophobicContact CB-CH2 3.59Å; V301-W311 HydrophobicContact CB-CZ2 3.55Å; V301-W311 HydrophobicContact CG1-CH2 3.66Å; V301-W311 HydrophobicContact CG1-CZ2 3.04Å; V301-W311 HydrophobicContact CG2-CH2 3.82Å; V301-W311 HydrophobicContact CG2-CZ2 4.06Å; V301-W311 HydrophobicContact CG2-CZ3 4.4Å
312S44.4Very low55.8Low101 Ų101113.3 Ų113.371%0.70669%0.691SS**SBendtrans-180118142.237.60000107.4
313S43.5Very low54.9Low105 Ų105116.1 Ų116.173%0.73472%0.715SS**SBendtrans56.685150.7-540000117.1R315S313-R315 PolarHBondContact O-N 2.97Å
314G46.1Very low54.1Low92 Ų92116.5 Ų116.595%0.94873%0.732SS**SBendtrans55.515.3139.900000119.2
315R51.4Low53.3Low233 Ų233119 Ų11988%0.87975%0.748SS**  trans-105.3105.4177.2-68.1-167.8-150.2-100.84.6108.6S313S313-R315 PolarHBondContact O-N 2.97Å
316R53.4Low52.8Low223 Ų223119.5 Ų119.584%0.84275%0.749SS**  trans-49.8141.4164.8-77.3178.7176.5-128.3-1.4108.7L318R316-L318 PolarHBondContact O-N 3.5Å
317P53.7Low52.3Low119 Ų119122.9 Ų122.977%0.77376%0.755SS**  trans-50.8127.7164.8-2030.8000107.8G319P317-G319 PolarHBondContact O-N 3.16Å
318L47.3Very low52.2Low182 Ų182125 Ų12595%0.95377%0.766SS**  trans-6773.4179.9-67.3166.4000109.4R316R316-L318 PolarHBondContact O-N 3.5Å
319G64.8Low52.2Low50 Ų50120.8 Ų120.852%0.51576%0.761SS.*PPolyproline II helixtrans-80.3147154.400000108.7P317P317-G319 PolarHBondContact O-N 3.16Å
320P67.5Low52.7Low124 Ų124122.5 Ų122.581%0.80576%0.761SS**PPolyproline II helixtrans-55.5137.5175.622.3-31.1000110
321P67.1Low53Low110 Ų110127 Ų12771%0.71477%0.77SS**PPolyproline II helixtrans-62.5144.8177.427.1-33.3000109.8
322P68.7Low53.6Low114 Ų114125.7 Ų125.774%0.7478%0.779SS**PPolyproline II helixtrans-59.8138.3171.826.3-33.1000109.5S324P322-S324 PolarHBondContact O-N 3.2Å; P322-S324 VanDerWaalsContact O-N 3.08Å
323P66.5Low53.9Low123 Ų123132.7 Ų132.780%0.79979%0.79SS**  trans-63.5114.1-179.924.7-32.2000110T325P323-T325 PolarHBondContact O-N 2.8Å
324S55.1Low54Low111 Ų111130.8 Ų130.878%0.77679%0.786SS**  trans-84.194.8167.754.30000108.8P322P322-S324 PolarHBondContact O-N 3.2Å; P322-S324 VanDerWaalsContact O-N 3.08Å
325T49.7Very low54.3Low131 Ų131131.5 Ų131.580%0.80478%0.777SS**  trans-88.9106.7164.844.70000109.1P323 T327P323-T325 PolarHBondContact O-N 2.8Å; T325-T327 PolarHBondContact O-N 2.86Å
326T48.3Very low54.4Low112 Ų112126.7 Ų126.769%0.68777%0.773SS**  trans-62.5120.5174.6-45.90000109.9T328T326-T328 HydrophobicContact CG2-CG2 3.83Å; T326-T328 PolarHBondContact O-N 3.31Å; T326-T328 VanDerWaalsContact O-N 3.12Å
327T46.3Very low54.5Low142 Ų142123 Ų12387%0.87177%0.77SS**  trans-68.2100.3161.5-55.50000108.2T325T325-T327 PolarHBondContact O-N 2.86Å
328T50.5Low54.4Low119 Ų119125 Ų12573%0.7377%0.769SS**  trans-113.5111.2162.150.70000107.9T326T326-T328 HydrophobicContact CG2-CG2 3.83Å; T326-T328 PolarHBondContact O-N 3.31Å; T326-T328 VanDerWaalsContact O-N 3.12Å
329G44Very low54.6Low74 Ų74123.7 Ų123.776%0.76376%0.758SS**  trans-70.9149.5173.900000112.2
330S53.1Low54.2Low113 Ų113126.3 Ų126.379%0.7978%0.775SS**  trans-170.695.6149.659.50000108.9
331D49.5Very low53.6Low158 Ų158130.2 Ų130.285%0.84577%0.773SS**  trans-65.8149.1144.2-80.3-37.9000107.2
332P55.7Low53.1Low104 Ų104133.6 Ų133.668%0.67578%0.782SS**  -158.5166.264.340.9-18.7000119
333R48.9Very low52.6Low248 Ų248139.8 Ų139.894%0.93681%0.806SS**  trans79.7129.8141.8-77.8162.3179.8-163.4-0.9122.1
334G46.7Very low51.9Low65 Ų65140.7 Ų140.767%0.6781%0.806SS**  trans100.394.1139.700000114.7
335S51.1Low51.8Low106 Ų106142.2 Ų142.274%0.74181%0.808SS**  76.313782.872.10000115.1
336T54.6Low51.9Low132 Ų132142.8 Ų142.881%0.8181%0.808SS**  trans78.6144.7168.269.40000115.7
337L54.9Low52.1Low146 Ų146144.6 Ų144.676%0.76482%0.815SS**  cis-177.7174.8-25.7-142.1147.2000103.1
338E52.7Low52.5Low162 Ų162144.8 Ų144.876%0.75781%0.812SS**  trans70.9101175.3-102.496.6174.100115.6
339E50.4Low52.6Low154 Ų154146.5 Ų146.572%0.7282%0.817SS**  52.997.869.1-159.6176.9171.400113.7R341E339-R341 IonicContact OE1-NE 3.79Å
340A56.1Low53.2Low105 Ų105151.7 Ų151.787%0.86882%0.821SS**  trans-143126.2151.400000109.6
341R55.3Low53.2Low205 Ų205154.7 Ų154.777%0.77482%0.824SS**  trans-76.3174.4-173.4-65.8172168.6-179.7-7.7113.8E339E339-R341 IonicContact OE1-NE 3.79Å
342M56.5Low53.5Low182 Ų182154.4 Ų154.490%0.89782%0.822SS**  trans87.5109.1165-61.1-163.3-93.300111.9
343I59.5Low53.3Low244 Ų244159 Ų159100%1.25184%0.835SS**  -151.8051.3-80.9159.9000110.5

Retrieved 343 of 343 residues in 156.8 ms (Link to these results)