A0A087Y2B1_POEFO Loading...

BTB domain containing 10

AlphaFold DB , UniProt , Accession A0A087Y2B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low31.7Very low253 Ų253157.1 Ų157.1100%1.24684%0.835SS**  0126.40-70.3169.7172.700107.3
2A32.9Very low31.4Very low108 Ų108153.4 Ų153.489%0.89383%0.831SS**  trans-146.9159.3-178.100000110.6
3A33.1Very low31.5Very low88 Ų88148.5 Ų148.573%0.72782%0.816SS**  trans-67154.2-15700000118.8
4R32.6Very low31.6Very low227 Ų227148.6 Ų148.686%0.85782%0.815SS**  trans88142.4130.5-94178.8176.4-166.6-1.6122.7
5L30.3Very low31.6Very low146 Ų146146.2 Ų146.276%0.76481%0.806SS**  trans75104.1144.8-73.8162.1000120.5
6Q31.3Very low31.7Very low183 Ų183148.2 Ų148.286%0.85581%0.808SS**  trans-123.4122.9131.8-73.3176.3-20.500105.2
7S29Very low31.4Very low101 Ų101146.9 Ų146.971%0.70680%0.8SS**  76.191.35577.20000112.7
8Y31.8Very low31.3Very low234 Ų234152.4 Ų152.492%0.91881%0.807SS**  trans-96.5122.3167.2-103.2-91.1000109
9D29.3Very low31.3Very low151 Ų151151.1 Ų151.181%0.80780%0.796SS**  trans-169.5153169.4-98-43.3000107.6
10S31Very low31.1Very low87 Ų87153.7 Ų153.761%0.60880%0.795SS**  cis-168.6147.4-26.6-112.20000110.4
11N27.6Very low31.1Very low150 Ų150154.3 Ų154.380%0.80280%0.797SS**  trans63.5163.8154.1-71.1-21.7000123.2
12S28.6Very low30.8Very low113 Ų113148.5 Ų148.579%0.7978%0.777SS**  trans76.2140.3160.8-67.50000119.6
13S32.6Very low31.2Very low90 Ų90148.8 Ų148.863%0.62977%0.769SS**  cis-173.3141.2-12.3460000110.9
14D32.3Very low30.9Very low150 Ų150151.9 Ų151.980%0.80277%0.774SS**  trans50158.5144.4-48.7-40.6000119.7
15T32.1Very low31Very low112 Ų112151.8 Ų151.869%0.68777%0.773SS**  cis-161.2146.240.444.80000113.2
16E32.8Very low31.2Very low178 Ų178150.2 Ų150.283%0.83277%0.772SS**  trans61.5162.4143.7-61.2178.8131.200119.3
17N27.1Very low31.2Very low127 Ų127153.5 Ų153.568%0.67978%0.776SS**  cis-143.5155.43-161.4-18.7000110.2
18W29.5Very low31.3Very low245 Ų245158.2 Ų158.293%0.92878%0.784SS**  trans-129.6117.8171.3-92.8102.3000111.3
19E30.2Very low31.1Very low127 Ų127154.8 Ų154.859%0.59378%0.781SS**  trans-117148.3176.7-96-84.952.400113
20R28.3Very low31Very low204 Ų204153.3 Ų153.377%0.7778%0.781SS**  trans-51.8149.3-173.4-66.9157.6-81.8-159.3-6.5115.6
21I30.4Very low30.8Very low166 Ų166158.3 Ų158.385%0.85179%0.792SS**  trans-155.3142.4132.6-99.9144.9000110.5
22T33.1Very low30.8Very low132 Ų132160.3 Ų160.381%0.8180%0.796SS**  trans-131.9154.7160.4630000108.1
23P41.7Very low30.8Very low114 Ų114160.3 Ų160.374%0.7480%0.796SS**  -154124.6114.234-14.3000117
24N28.1Very low30.6Very low153 Ų153162.2 Ų162.282%0.81881%0.809SS**  55.5147.7119.5-135.5-21.2000123.8
25R33.4Very low30.5Very low225 Ų225160.6 Ų160.685%0.84981%0.81SS**  trans74.9154.4168.2-69-174.1164.9-166.5-2.7119.4
26P35.7Very low30.4Very low113 Ų113164.5 Ų164.573%0.73482%0.82SS**  cis-135.9150.7-39.837.3-21.6000114
27R31.5Very low30.2Very low252 Ų252160.3 Ų160.395%0.95182%0.816SS**PPolyproline II helixtrans-71.7136.3168.9-74.8178.3170.1159.5-3.9111.2
28K30.2Very low30.4Very low199 Ų199165.7 Ų165.787%0.86583%0.827SS**PPolyproline II helixtrans-97.8136.7162.8-83-172.8176179.50110.3
29L28Very low30.3Very low162 Ų162159.1 Ų159.185%0.84883%0.825SS**PPolyproline II helixtrans-90.5132.3169.7-134.277.3000108.9
30C27.1Very low30.4Very low121 Ų121159 Ų15982%0.81884%0.838SS**  trans-117.5135.1161.6-80.40000108.4
31K27.7Very low30.5Very low191 Ų191160.7 Ų160.783%0.8384%0.844SS**  trans-87.2140.7-178.1-65.2176.3177.2179.30109.7
32H27.1Very low30.5Very low192 Ų192158.9 Ų158.989%0.88984%0.841SS**  trans-73.3135.5159.4-65.3-87000109.1
33S28.8Very low30.3Very low114 Ų114161 Ų16180%0.79784%0.842SS**  trans-116.5125.7170.5-68.50000108.5
34S28.4Very low29.7Very low129 Ų129159.8 Ų159.890%0.90284%0.841SS**  trans-84.4139-177.8-48.70000111.8
35S29.2Very low29.7Very low116 Ų116160.5 Ų160.581%0.81184%0.84SS**  trans-143.8133.4165.753.10000110.4
36Q30.3Very low29.5Very low194 Ų194159.3 Ų159.391%0.90784%0.844SS**  trans-92.7-174.1179.7-66.5-180-23.500111.8
37A29.4Very low29.4Very low90 Ų90164.8 Ų164.874%0.74485%0.85SS**  trans79.2143.417500000115
38R29.5Very low29.3Very low240 Ų240160.2 Ų160.291%0.90684%0.844SS**  cis-154.5141.9-3.5-124.2166.5-171.6170.60.5108.3
39A28.9Very low29.3Very low108 Ų108159.5 Ų159.589%0.89385%0.846SS**  trans-94.5134.5168.200000110.1
40S31.9Very low29.4Very low124 Ų124155.7 Ų155.787%0.86783%0.833SS**  trans-120.1148.8174.3450000110.3
41R30.7Very low29.8Very low239 Ų239158 Ų15890%0.90284%0.836SS**  trans-138.4126.1-169.1-175.3-170.9-171-1514.8110.3
42V30.2Very low30Very low128 Ų128157.9 Ų157.978%0.77684%0.838SS**  trans-148.3117.9170.9-161.90000103.2
43E29.3Very low30.1Very low177 Ų177152.5 Ų152.583%0.82783%0.834SS**  62.513370.2-73.3-171.9169.900113.1
44A28.9Very low30.2Very low88 Ų88151.5 Ų151.573%0.72783%0.833SS**  cis-158.2-155.9-6.200000111.2
45E28.5Very low30.3Very low169 Ų169151.5 Ų151.579%0.7983%0.833SS**  trans8296.9170.8-55.7-145135.200119.9
46Q29.3Very low30.3Very low200 Ų200150.1 Ų150.194%0.93584%0.837SS**  trans-129.9149.8133.7-76-167.9-5.400109
47R32.6Very low30.2Very low228 Ų228144 Ų14486%0.8683%0.826SS**  trans-90.9141.1-167.4-68.7179.4177.3168.9-0.4113.1
48N29.9Very low30.3Very low155 Ų155145.9 Ų145.983%0.82983%0.833SS**  trans-66.7144.9167.1-84.4-37.9000111.8
49M29.6Very low30.3Very low184 Ų184140 Ų14091%0.90682%0.819SS**  trans-131.3130.1144.7-78.8-64-71.200107.4
50S31.1Very low30.3Very low82 Ų82144.5 Ų144.557%0.57381%0.813SS**  trans-142138.2-177.8178.70000110.5
51L34Very low30.3Very low171 Ų171143.8 Ų143.890%0.89581%0.808SS**  trans-140.1136165.6-78.7174000108.6
52H33.4Very low30.4Very low188 Ų188143.4 Ų143.487%0.8781%0.807SS**  trans-125.6149.6-177.6-85-45000111.3
53G28.5Very low30.6Very low78 Ų78144.1 Ų144.180%0.80481%0.806SS**  trans141141165.500000113.3
54A30.7Very low30.7Very low94 Ų94147.7 Ų147.778%0.77781%0.812SS**  cis-159.4148.8-10.700000112.8
55S31Very low31Very low129 Ų129154.7 Ų154.790%0.90282%0.819SS**  trans42.8125.8144.2-55.50000124
56G28.4Very low31.1Very low86 Ų86158.4 Ų158.489%0.88783%0.826SS**  trans117.7139.9151.200000115.5
57G28.4Very low31.3Very low66 Ų66154.2 Ų154.268%0.6882%0.819SS**  cis169.7142.4-9.500000112.8
58C30.7Very low31.3Very low130 Ų130148.8 Ų148.888%0.87882%0.816SS**  trans57.7162.4173.782.50000118.4
59D29.5Very low31.5Very low116 Ų116148.4 Ų148.462%0.6281%0.814SS**  cis-142.5176.9-3.8-150.82.4000114.4
60R30.5Very low31.7Very low202 Ų202150.8 Ų150.876%0.76281%0.813SS**  trans-64.6155.3-167.9-40.9116.6176.7149.5-8.6116.8
61S30.3Very low31.8Very low110 Ų110152.4 Ų152.477%0.76983%0.825SS**  176.3120.4101.1-79.10000118
62R33.7Very low31.8Very low231 Ų231156.2 Ų156.287%0.87283%0.827SS**  trans39.4119.7136.6-71.3177.7170.4158-2.4122.5
63D33.8Very low31.6Very low142 Ų142154.7 Ų154.776%0.75983%0.825SS**  trans15131.2130.1-62.1-88.4000121
64R32.4Very low31.6Very low252 Ų252155.8 Ų155.895%0.95182%0.821SS**  -156.3134.9118.5-112.1162.2-170.3-174.52.6113.9
65R34.6Very low31.7Very low235 Ų235156.9 Ų156.989%0.88782%0.823SS**  trans-73.7145.9173.9-53.5172.8-179.3-173.9-2111.1
66R31.3Very low31.8Very low247 Ų247159.1 Ų159.193%0.93282%0.818SS**  -165.5146.5123.7-109.6171.4-176.1-165.5-1111.6
67S32.2Very low31.9Very low113 Ų113163.5 Ų163.579%0.7982%0.816SS**  trans-121.9135.3174.1-1730000108.9
68S33.1Very low32.1Very low113 Ų113171.1 Ų171.179%0.7982%0.824SS**  trans-157.6101.3171.2-600000104.7
69D34Very low32.2Very low147 Ų147174.2 Ų174.279%0.78683%0.826SS**  cis76.1145.349.7-158.512.6000113.3
70R33.4Very low32.4Very low234 Ų234171.6 Ų171.688%0.88383%0.826SS**  trans78135.3-156.9-54174.7-177.1-166.7-1.3114.1
71S32.9Very low32.6Very low117 Ų117171 Ų17182%0.81883%0.832SS**  cis-157.5146.6-10.440.30000110.9
72R34.7Very low32.8Very low250 Ų250174.1 Ų174.194%0.94384%0.838SS**  trans-93.3146.1173.8-80.3173.1159.9159.5-9111.3
73D28.8Very low33.1Very low157 Ų157168.8 Ų168.884%0.8483%0.832SS**  trans-148100.3149.3-150.522.4000105.5
74S29.8Very low33.3Very low101 Ų101167.9 Ų167.971%0.70683%0.834SS**  78.593.681.5-158.90000113.2
75S32.7Very low33.4Very low117 Ų117161.2 Ų161.282%0.81882%0.824SS**  trans-133135.3160.553.20000108.3E77S75-E77 PolarHBondContact O-N 2.99Å
76H32Very low33.4Very low176 Ų176157.5 Ų157.582%0.81582%0.821SS**  trans-87.5107.9-166.7-119.1-52.3000112
77E31.2Very low33.7Very low177 Ų177156.6 Ų156.683%0.82782%0.817SS**  trans-60.5137.4157.6-70.1-85.1100.900109.7S75S75-E77 PolarHBondContact O-N 2.99Å
78R33.5Very low33.6Very low227 Ų227157.9 Ų157.986%0.85782%0.815SS**  trans-149.482.4161.8-168.2-178-67.4-1501.1111.3
79E31.6Very low33.6Very low195 Ų195158.9 Ų158.991%0.91182%0.816SS**  trans-60.6139.5160.7-169.1175.9-15800109.9
80G34Very low33.5Very low60 Ų60158 Ų15862%0.61982%0.816SS**  trans-152115.6-172.100000112.4
81Q34.6Very low33.4Very low191 Ų191152.2 Ų152.289%0.89381%0.812SS**  trans-62.7136-173.6-63.7166.6-9.100112.8
82L33.9Very low33.9Very low174 Ų174152.7 Ų152.791%0.91181%0.812SS**  trans-102.2111172.5-69.9179.3000111.4
83T41.6Very low33.8Very low119 Ų119147.1 Ų147.173%0.7381%0.806SS**  trans-90.3126.1173.6-53.80000110.4
84P38Very low33.9Very low124 Ų124150.8 Ų150.881%0.80581%0.808SS**  trans-80.6126.3177.131.2-33000111.4
85C34Very low34Very low111 Ų111154.1 Ų154.175%0.7581%0.813SS**  trans-139.890.7174.456.80000112.9R87C85-R87 PolarHBondContact O-N 2.93Å
86I34.9Very low34Very low158 Ų158157.3 Ų157.381%0.8181%0.814SS**  trans-68.8126.5166.6-62.8172.5000108.5N88I86-N88 WeakPolarHBondContact CG2-OD1 3.21Å
87R35.9Very low33.9Very low228 Ų228155.5 Ų155.586%0.8681%0.81SS**  trans-112.696.8170.6-84.4-176.2167.6157.9-2.7110.5C85C85-R87 PolarHBondContact O-N 2.93Å
88N31.4Very low33.9Very low140 Ų140151.2 Ų151.275%0.74980%0.8SS**  trans-75.6132.6161.4-72.919.4000108.7I86I86-N88 WeakPolarHBondContact CG2-OD1 3.21Å
89V33Very low33.7Very low133 Ų133147.2 Ų147.281%0.80680%0.796SS**  trans-103.4114.2176.7-176.50000108.6
90T31Very low34Very low129 Ų129148.5 Ų148.579%0.79179%0.792SS**  trans-121.5113.5173.849.20000110
91S31.6Very low34Very low112 Ų112153.1 Ų153.178%0.78380%0.803SS**PPolyproline II helixtrans-70.8147.2174.8-55.70000111.6
92P43.8Very low34.1Very low127 Ų127153.6 Ų153.683%0.82580%0.796SS**PPolyproline II helixtrans-82.6157.4-17733.1-35.8000114
93T31.7Very low34Very low133 Ų133151.7 Ų151.782%0.81679%0.787SS**PPolyproline II helixtrans-56.1144.8177.1-45.80000114
94R31Very low33.4Very low234 Ų234149.3 Ų149.388%0.88379%0.786SS**  trans-114.9128.5155.8-170.6177.2-178.7-164.9-0.8109.9
95Q32Very low33.9Very low172 Ų172149.6 Ų149.680%0.80479%0.788SS**  trans-82152175.8-65166.7-32.100111
96H33Very low33.8Very low183 Ų183149.6 Ų149.685%0.84779%0.789SS**  trans-144.2164.7150.8-144.4-96.9000111.3
97N30.4Very low33.7Very low139 Ų139147.2 Ų147.274%0.74379%0.786SS**  trans-98.1156.4-155.8-125.77.2000115.5
98S30.2Very low33.5Very low86 Ų86147.4 Ų147.460%0.60179%0.787SS**  trans-4.2135.3155.558.30000121.2
99D31Very low33.9Very low144 Ų144146.5 Ų146.577%0.7779%0.789SS**  -155.5129.5115.8-92.4-40000107.4
100R37.4Very low33.7Very low222 Ų222145.1 Ų145.184%0.83879%0.785SS**  72.891.372.6-83.3-169.1166.9-164.7-0.7115
101D33.5Very low33.8Very low157 Ų157144.6 Ų144.684%0.8479%0.787SS**  trans169.6171.8131.4-90-22.3000108.9
102R36.2Very low34.4Very low200 Ų200145.5 Ų145.576%0.75579%0.79SS**  -159.2158.5-57.3-161-166.2151.9145.9-0.4107
103D32.2Very low34Very low135 Ų135148.4 Ų148.472%0.72279%0.785SS**  trans68.6155.7165.6-52.4-44.5000118.4
104G28.4Very low34.4Very low69 Ų69148 Ų14871%0.71178%0.784SS**  trans-141.9-147.6175.200000108.6
105P49.2Very low34.4Very low130 Ų130143.1 Ų143.184%0.84477%0.771SS**  cis-133.5-135.81.542.7-22.9000111.7
106S31.7Very low34.3Very low111 Ų111145.8 Ų145.878%0.77677%0.774SS**  trans80.9139.2171.8-1330000116.2
107S32.5Very low34Very low107 Ų107143.8 Ų143.875%0.74878%0.775SS**  cis-158.9160.7-9.329.10000111.4
108R32.4Very low34.1Very low232 Ų232141.7 Ų141.788%0.87577%0.771SS**  trans-99.6152.5165.7-66.5-179.1174.6-176.6-1.2110.3
109P39Very low34.8Very low122 Ų122143.8 Ų143.879%0.79278%0.782SS**  -129.9148.694.56.216.6000112.2
110S29.3Very low34.7Very low103 Ų103143 Ų14372%0.7279%0.788SS**  86.19959.1-56.40000115
111S32.5Very low34.2Very low119 Ų119135.6 Ų135.683%0.83278%0.781SS**  trans23.3140.8132.4-65.90000120.3
112P44.2Very low34.2Very low131 Ų131133.9 Ų133.985%0.85178%0.781SS**  -146.7174.969.340.7-22.6000118.8
113R37.1Very low34Very low187 Ų187129.1 Ų129.171%0.70678%0.779SS**  trans-120.1146.8178.8171.8-164.9-170.2-141.54.9108.8Q115R113-Q115 VanDerWaalsContact CZ-CD 3.41Å; R113-Q115 VanDerWaalsContact CZ-CG 3.47Å; R113-Q115 VanDerWaalsContact CZ-OE1 3.25Å
114P39.3Very low33.9Very low125 Ų125128.6 Ų128.681%0.81279%0.785SS**  trans-108.7157.3156.3812.6000112.5
115Q29.8Very low34.2Very low131 Ų131131 Ų13161%0.61279%0.791SS**  trans-124.7140.9166.1-77.2-165.4-105.900111.2R113R113-Q115 VanDerWaalsContact CZ-CD 3.41Å; R113-Q115 VanDerWaalsContact CZ-CG 3.47Å; R113-Q115 VanDerWaalsContact CZ-OE1 3.25Å
116R31.1Very low33.2Very low228 Ų228127.8 Ų127.886%0.8678%0.782SS**  trans15.6118.2139.2-170.7-171.5-144.8-114.54.1117.5
117V27.4Very low33.3Very low142 Ų142129.1 Ų129.186%0.86179%0.785SS**  trans-140.6153147.5-103.20000110.3
118S32Very low33.3Very low94 Ų94130.4 Ų130.466%0.65779%0.788SS**  trans-130.9156.1167.9-530000107.5
119P44.6Very low33.2Very low130 Ų130124.7 Ų124.784%0.84478%0.784SS**  trans-135.7174.2138.636.5-24.3000113.1
120S28.8Very low32.8Very low128 Ų128124.8 Ų124.890%0.89579%0.788SS**  trans-131.6155.5-172.3-49.80000111.9
121G27.6Very low33.2Very low66 Ų66130.9 Ų130.968%0.6880%0.795SS**  trans158.7118168.600000110.4
122S33.4Very low33.2Very low121 Ų121132.3 Ų132.385%0.84679%0.793SS**  81.6129.963.3-68.30000113
123S30.9Very low32.6Very low101 Ų101132.1 Ų132.171%0.70680%0.795SS**  cis-165.8167.8-3-86.60000112
124S31.3Very low32.5Very low123 Ų123128.2 Ų128.286%0.8680%0.796SS**  trans76.5153.7166.487.20000117.1
125S34.4Very low32.3Very low119 Ų119130.5 Ų130.583%0.83280%0.801SS**  cis-149.1167.43.568.60000112.7
126G28.5Very low32.5Very low64 Ų64130 Ų13066%0.6681%0.812SS**  trans105.377.8148.700000121.9
127V32.4Very low32.7Very low139 Ų139124.4 Ų124.484%0.84281%0.808SS**  trans51.6159.9137.5-57.20000124.4
128V32.5Very low33.3Very low133 Ų133122.3 Ų122.381%0.80680%0.799SS**  trans66.4103.4167.2-60.20000121.8
129S31.4Very low33.8Very low113 Ų113125.7 Ų125.779%0.7981%0.81SS**  trans13.7126.5138.2-51.20000121.4
130S29.9Very low33.9Very low124 Ų124121.9 Ų121.987%0.86779%0.794SS**  -170.7158.8105-81.70000113.1
131R38.6Very low35Very low230 Ų230119.7 Ų119.787%0.86878%0.776SS**  trans-100.5141.8168.3-66.7174.6172.7168.6-4.1109.4
132N32.7Very low36.1Very low149 Ų149122.4 Ų122.480%0.79777%0.769SS**  166.4139.6122.6-85.1-6000111.7
133S31.5Very low37Very low127 Ų127122.8 Ų122.889%0.88876%0.755SS**  trans-15594.1164.7570000108.7
134S33.8Very low37.3Very low106 Ų106122.1 Ų122.174%0.74175%0.751SS**  trans-130.9123.6179.851.40000109
135L36.5Very low38Very low172 Ų172121.6 Ų121.690%0.90174%0.738SS**PPolyproline II helixtrans-76.3150.6179.9-71165.1000111S137L135-S137 PolarHBondContact O-N 3.03Å
136S33.6Very low38.4Very low120 Ų120119 Ų11984%0.83973%0.73SS**PPolyproline II helixtrans-58.7123.4-171.650.30000114.5
137S34.5Very low39Very low111 Ų111121.3 Ų121.378%0.77674%0.743SS**PPolyproline II helixtrans-87.7160.7157-62.90000110.4L135L135-S137 PolarHBondContact O-N 3.03Å
138S41Very low40Very low98 Ų98118.7 Ų118.769%0.68574%0.744SS**PPolyproline II helixtrans-73.5134.9170.335.50000111.5G140S138-G140 PolarHBondContact O-N 3.05Å; S138-G140 VanDerWaalsContact O-N 3.09Å
139D42.2Very low41.2Very low165 Ų165116.5 Ų116.588%0.88273%0.725SS**  trans-72.6100.5-178.5-75.6-53.9000112.5
140G45.8Very low43Very low50 Ų50115.6 Ų115.652%0.51571%0.709SS.*  trans-109.3115.6158.500000109.6S138 F142S138-G140 PolarHBondContact O-N 3.05Å; S138-G140 VanDerWaalsContact O-N 3.09Å; G140-F142 PolarHBondContact O-N 3.18Å
141T53.6Low45.5Very low82 Ų82110.9 Ų110.950%0.50368%0.675SS.*EExtended strand (participates in β ladder)trans-73103.1-177.4-600000110.6
142F49Very low47.6Very low124 Ų124102 Ų10254%0.54464%0.643SS.*EExtended strand (participates in β ladder)trans-73.3136175.5175.8-108.2000112.1G140G140-F142 PolarHBondContact O-N 3.18Å
143K52.9Low49.9Very low128 Ų12896 Ų9656%0.55761%0.612SS**EExtended strand (participates in β ladder)trans-133.3114.5168.7-67-174.5-179.3178.40109.6
144S36.9Very low52.2Low87 Ų8790.8 Ų90.861%0.60857%0.573SS**EExtended strand (participates in β ladder)trans-79.8120.2172.9-166.60000110
145L45.5Very low53.9Low112 Ų11289.4 Ų89.459%0.58656%0.557SS**  trans-130.3104.5177.6-84.6165.1000109.2
146G42.8Very low55Low66 Ų6684.3 Ų84.368%0.6853%0.531SS*.SBendtrans74.2-179.5179.600000114.5
147A41.5Very low56Low112 Ų11284.1 Ų84.193%0.92653%0.527SS*.SBendtrans-89.3113.4-178.600000110.7
148G53.8Low56.8Low84 Ų8487.8 Ų87.887%0.86653%0.529SS*.SBendtrans98.5-9.6171.600000116.2
149E57Low57.1Low87 Ų8792.3 Ų92.341%0.40754%0.539SS..  trans-97.1108.3-176.3-177.6148.2-112.400112V151 R185E149-V151 HydrophobicContact CG-CG2 4.22Å; E149-R185 IonicContact OE1-CZ 2.91Å; E149-R185 IonicContact OE1-NE 3.61Å; E149-R185 PolarHBondContact OE1-NE 2.81Å; E149-R185 IonicContact OE1-NH2 2.72Å; E149-R185 PolarHBondContact OE1-NH2 2.96Å; E149-R185 IonicContact OE2-NH2 3.34Å
150M70.7Confident57Low93 Ų9387.8 Ų87.846%0.45853%0.531SS..EExtended strand (participates in β ladder)trans-93.7122.6175.4-69.9-162.7-66.700111.4F152 T184 R185M150-F152 HydrophobicContact CB-CE2 4.16Å; M150-T184 HydrophobicContact CB-CG2 4.28Å; M150-R185 PolarHBondContact O-N 3.18Å
151V81.1Confident56.5Low25 Ų2588.3 Ų88.315%0.15254%0.536CS..EExtended strand (participates in β ladder)trans-119.4118.3176.2-171.30000109.7E149 R185 V187E149-V151 HydrophobicContact CG-CG2 4.22Å; V151-R185 WeakPolarHBondContact CA-O 3.43Å; V151-R185 HydrophobicContact CG1-CB 4.34Å; V151-R185 HydrophobicContact CG2-CB 4.24Å; V151-V187 HydrophobicContact CG1-CG2 3.79Å
152F82.8Confident56.1Low44 Ų4488.9 Ų88.919%0.19355%0.549CS..EExtended strand (participates in β ladder)trans-101.8131.5174.5-66.2-88.7000110.2M150 Y154 T184 R185 F186 V187M150-F152 HydrophobicContact CB-CE2 4.16Å; F152-Y154 HydrophobicContact CB-CD2 4.4Å; F152-Y154 HydrophobicContact CB-CE2 3.53Å; F152-T184 HydrophobicContact CD2-CG2 3.66Å; F152-T184 HydrophobicContact CE2-CG2 3.59Å; F152-R185 PolarHBondContact N-O 3.19Å; F152-F186 HydrophobicContact CB-CD1 4.24Å; F152-F186 HydrophobicContact CD2-CE1 4.16Å; F152-F186 HydrophobicContact CD2-CZ 4.47Å; F152-V187 PolarHBondContact O-N 2.77Å
153V81.9Confident55.7Low24 Ų2491 Ų9115%0.14557%0.567CS.*EExtended strand (participates in β ladder)trans-112.6122.2-179.9-172.90000110R176 V187V153-R176 VanDerWaalsContact CG1-NH1 3.27Å; V153-V187 HydrophobicContact CG2-CB 4.42Å
154Y78.5Confident55Low17 Ų1788 Ų887%0.06757%0.565CS.*EExtended strand (participates in β ladder)trans-109.5103.9-178.4-65.6-102.4000110.6F152 F186 V187 V188 R234 L237F152-Y154 HydrophobicContact CB-CD2 4.4Å; F152-Y154 HydrophobicContact CB-CE2 3.53Å; Y154-F186 AromaticContact CE2-CD1 3.72Å; Y154-F186 HydrophobicContact CE2-CD1 3.72Å; Y154-V187 PolarHBondContact N-O 3.43Å; Y154-V188 HydrophobicContact CD2-CG1 3.97Å; Y154-V188 HydrophobicContact CG-CG1 4.27Å; Y154-R234 WeakPolarHBondContact OH-CG 2.99Å; Y154-L237 HydrophobicContact CD1-CB 4.2Å; Y154-L237 HydrophobicContact CD1-CD1 4.28Å; Y154-L237 HydrophobicContact CD2-CD1 3.92Å; Y154-L237 HydrophobicContact CE1-CB 3.92Å; Y154-L237 HydrophobicContact CE1-CD1 3.92Å; Y154-L237 HydrophobicContact CE2-CD1 3.55Å; Y154-L237 HydrophobicContact CG-CD1 4.29Å
155D70.6Confident55.2Low77 Ų7789.7 Ų89.741%0.41258%0.575SS.*  trans-88.5156.2172.7-81-88.5000112.3R176 K241D155-R176 VanDerWaalsContact CG-NH1 3.26Å; D155-R176 IonicContact OD1-CZ 3.81Å; D155-R176 VanDerWaalsContact OD1-CZ 3.29Å; D155-R176 IonicContact OD1-NH1 3.02Å; D155-R176 PolarHBondContact OD1-NH1 3.33Å; D155-R176 VanDerWaalsContact OD1-NH1 3.1Å; D155-R176 IonicContact OD1-NH2 3.78Å; D155-R176 PolarHBondContact OD1-NH2 2.86Å; D155-R176 IonicContact OD2-CZ 3.8Å; D155-R176 IonicContact OD2-NH1 3.23Å; D155-R176 PolarHBondContact OD2-NH1 2.88Å; D155-R176 IonicContact OD2-NH2 2.86Å; D155-K241 PolarHBondContact O-NZ 2.92Å
156N60.2Low55.2Low65 Ų6592 Ų9235%0.34859%0.593SS.*  trans-102.2113.9176.9-175.8-8.3000108.6K158N156-K158 PolarHBondContact O-N 3.45Å
157P54.4Low54.9Low116 Ų11691.6 Ų91.675%0.75359%0.588SS**THydrogen-bonded Turntrans-72.712.7-16929.6-36.6000115.3
158K51.6Low54.8Low187 Ų18794.1 Ų94.181%0.81359%0.586SS**THydrogen-bonded Turntrans-81.9-8.8-174.6-79.5-174.6172.5178.70115.9N156 G160N156-K158 PolarHBondContact O-N 3.45Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 2.91Å
159E46.4Very low54Low194 Ų19499 Ų9991%0.90758%0.578SS**  trans-91.743172.2-69.8-150.9119.500113.9G161E159-G161 PolarHBondContact O-N 2.9Å
160G40.8Very low52.9Low70 Ų70102.3 Ų102.372%0.72260%0.599SS**  trans-79.622.1177.300000115.9K158 A162K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 2.91Å; G160-A162 PolarHBondContact O-N 2.84Å
161G34.7Very low51.4Low60 Ų60103.1 Ų103.162%0.61961%0.61SS**  trans-7981.1-170.600000114.7E159 N163E159-G161 PolarHBondContact O-N 2.9Å; G161-N163 VanDerWaalsContact C-N 3.35Å; G161-N163 PolarHBondContact O-N 2.67Å
162A44.2Very low49.5Very low94 Ų94113.4 Ų113.478%0.77765%0.646SS**  trans-77.673.7177.900000113.4G160G160-A162 PolarHBondContact O-N 2.84Å
163N41.9Very low47.6Very low169 Ų169117 Ų11790%0.90467%0.671SS**  trans-179.299.8148.6-95-31000110.8G161G161-N163 VanDerWaalsContact C-N 3.35Å; G161-N163 PolarHBondContact O-N 2.67Å
164A37Very low46.3Very low64 Ų64118.6 Ų118.653%0.52968%0.683SS.*  trans-149.7142.1168.300000109.3
165P41.1Very low46.1Very low124 Ų124123.6 Ų123.681%0.80571%0.707SS**  trans-70.8159.6-17329-35.5000113.1G167P165-G167 PolarHBondContact O-N 3.1Å
166V47.1Very low47Very low161 Ų161125 Ų12598%0.97671%0.707SS**SBendtrans-71.298.4178.1-178.10000110
167G35Very low48.4Very low56 Ų56122.2 Ų122.258%0.57769%0.693SS**SBendtrans-161.4127.7172.100000110.2P165 R169P165-G167 PolarHBondContact O-N 3.1Å; G167-R169 PolarHBondContact O-N 3.09Å
168N40.1Very low50.3Low165 Ų165118 Ų11888%0.88267%0.665SS**  trans-4.680.6-176-71.618000116.6N170N168-N170 PolarHBondContact O-N 2.59Å
169R36.6Very low52.4Low186 Ų186109.1 Ų109.170%0.70263%0.626SS**  trans-68.686155.5-78.1-171.7175.5-168.6-2.3108G167 T171G167-R169 PolarHBondContact O-N 3.09Å; R169-T171 PolarHBondContact O-N 3.06Å
170N35.2Very low54.7Low157 Ų157100.8 Ų100.884%0.8459%0.587SS**  trans-59.193.5145.9-11521000105.2N168 R172N168-N170 PolarHBondContact O-N 2.59Å; N170-R172 PolarHBondContact O-N 2.88Å
171T38.6Very low57.3Low111 Ų11197.5 Ų97.568%0.68155%0.554SS**  trans-58.8105.7168.147.50000105.9R169 T173R169-T171 PolarHBondContact O-N 3.06Å; T171-T173 PolarHBondContact O-N 3.07Å
172R40.7Very low60.2Low240 Ų24098.8 Ų98.891%0.90655%0.546SS*.  trans-57.9101.7159.8-80-178.7169.8178.7-4.1104.7N170 S174N170-R172 PolarHBondContact O-N 2.88Å; R172-S174 VanDerWaalsContact C-N 3.27Å; R172-S174 PolarHBondContact O-N 2.78Å
173T42.3Very low62.5Low119 Ų119101.2 Ų101.273%0.7355%0.546SS*.  trans-62.999.6167.646.50000105.3T171 E175T171-T173 PolarHBondContact O-N 3.07Å; T173-E175 PolarHBondContact O-N 3.15Å; T173-E175 VanDerWaalsContact O-N 3.15Å
174S54.5Low65.1Low58 Ų5893.7 Ų93.741%0.40651%0.506SS..  trans-42.8126.6164.8-56.80000106.6R172 R176 D189R172-S174 VanDerWaalsContact C-N 3.27Å; R172-S174 PolarHBondContact O-N 2.78Å; S174-R176 VanDerWaalsContact C-N 3.27Å; S174-R176 WeakPolarHBondContact O-CG 3.2Å; S174-R176 PolarHBondContact O-N 2.71Å; S174-D189 WeakPolarHBondContact CB-OD2 3.26Å; S174-D189 PolarHBondContact OG-OD2 2.84Å; S174-D189 VanDerWaalsContact OG-OD2 3.07Å
175E76Confident67.9Low122 Ų12292.9 Ų92.957%0.5749%0.49SS*.  trans-67.286.9-163.7-168.6-167.6166.900110T173 V177 P190 R209T173-E175 PolarHBondContact O-N 3.15Å; T173-E175 VanDerWaalsContact O-N 3.15Å; E175-V177 PolarHBondContact O-N 2.66Å; E175-P190 WeakPolarHBondContact O-CD 3.24Å; E175-P190 VanDerWaalsContact O-CG 3.3Å; E175-P190 WeakPolarHBondContact O-CG 3.18Å; E175-R209 VanDerWaalsContact CD-NH2 3.3Å; E175-R209 IonicContact OE1-CZ 2.86Å; E175-R209 IonicContact OE1-NH1 3.46Å; E175-R209 IonicContact OE1-NH2 2.96Å; E175-R209 PolarHBondContact OE1-NH2 2.84Å; E175-R209 IonicContact OE2-CZ 2.85Å; E175-R209 IonicContact OE2-NH1 2.76Å; E175-R209 PolarHBondContact OE2-NH1 3.14Å; E175-R209 IonicContact OE2-NH2 3.11Å; E175-R209 PolarHBondContact OE2-NH2 3.5Å
176R88.4Confident70.5Confident106 Ų10687 Ų8740%0.445%0.451SS..PPolyproline II helixtrans-70.7130-171-57.8-161.4-169.6-152.3-2.6109.1V153 D155 S174 V187 V188V153-R176 VanDerWaalsContact CG1-NH1 3.27Å; D155-R176 VanDerWaalsContact CG-NH1 3.26Å; D155-R176 IonicContact OD1-CZ 3.81Å; D155-R176 VanDerWaalsContact OD1-CZ 3.29Å; D155-R176 IonicContact OD1-NH1 3.02Å; D155-R176 PolarHBondContact OD1-NH1 3.33Å; D155-R176 VanDerWaalsContact OD1-NH1 3.1Å; D155-R176 IonicContact OD1-NH2 3.78Å; D155-R176 PolarHBondContact OD1-NH2 2.86Å; D155-R176 IonicContact OD2-CZ 3.8Å; D155-R176 IonicContact OD2-NH1 3.23Å; D155-R176 PolarHBondContact OD2-NH1 2.88Å; D155-R176 IonicContact OD2-NH2 2.86Å; S174-R176 VanDerWaalsContact C-N 3.27Å; S174-R176 WeakPolarHBondContact O-CG 3.2Å; S174-R176 PolarHBondContact O-N 2.71Å; R176-V187 HydrophobicContact CB-CG1 3.82Å; R176-V187 HydrophobicContact CG-CG1 4.45Å; R176-V188 CarbonylContact C-O 3.59Å; R176-V188 VanDerWaalsContact CA-O 3.26Å; R176-V188 WeakPolarHBondContact CA-O 3.11Å
177V90.9Very high72.8Confident8 Ų880.7 Ų80.75%0.04841%0.413CS..EExtended strand (participates in β ladder)trans-97.8135175.3170.80000108.2E175 L179 V188 P190 F205 Y222E175-V177 PolarHBondContact O-N 2.66Å; V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.38Å; V177-V188 PolarHBondContact N-O 3.21Å; V177-V188 WeakPolarHBondContact O-CG2 3.3Å; V177-V188 PolarHBondContact O-N 3.13Å; V177-P190 HydrophobicContact CB-CG 4.16Å; V177-P190 HydrophobicContact CG2-CG 3.6Å; V177-F205 HydrophobicContact CG1-CD1 4.4Å; V177-F205 HydrophobicContact CG1-CE1 3.88Å; V177-F205 HydrophobicContact CG1-CZ 4.41Å; V177-Y222 HydrophobicContact CG1-CD2 3.47Å; V177-Y222 VanDerWaalsContact CG1-CD2 3.47Å; V177-Y222 HydrophobicContact CG1-CE2 3.78Å; V177-Y222 HydrophobicContact CG1-CG 4.32Å; V177-Y222 HydrophobicContact CG2-CE2 4.48Å
178T94.1Very high75.5Confident28 Ų2878 Ų7817%0.17239%0.385CS..EExtended strand (participates in β ladder)trans-91.4116.9167.7-51.70000109I180 R185 V187 E221 Y222T178-I180 HydrophobicContact CG2-CD1 3.94Å; T178-R185 HydrophobicContact CG2-CB 3.92Å; T178-R185 HydrophobicContact CG2-CG 4.49Å; T178-V187 HydrophobicContact CG2-CG2 4.26Å; T178-E221 HydrophobicContact CG2-CB 4.37Å; T178-E221 HydrophobicContact CG2-CG 4.26Å; T178-E221 WeakPolarHBondContact CG2-OE1 3.39Å; T178-Y222 PolarHBondContact O-N 2.71Å
179L94.9Very high78Confident0 Ų071.2 Ų71.20%035%0.349CS..EExtended strand (participates in β ladder)trans-94.4136.4168.9-52.9-179.5000109V177 F186 V188 F193 F205 Y222 V224 F233V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.38Å; L179-F186 HydrophobicContact CB-CB 4.32Å; L179-F186 PolarHBondContact N-O 3.46Å; L179-F186 PolarHBondContact O-N 2.76Å; L179-V188 HydrophobicContact CD1-CG2 4.03Å; L179-V188 HydrophobicContact CG-CG2 4.12Å; L179-F193 HydrophobicContact CD1-CE2 4.39Å; L179-F193 HydrophobicContact CD1-CZ 3.85Å; L179-F205 HydrophobicContact CD2-CE1 4.16Å; L179-F205 HydrophobicContact CD2-CE2 3.64Å; L179-F205 HydrophobicContact CD2-CZ 3.42Å; L179-F205 VanDerWaalsContact CD2-CZ 3.42Å; L179-Y222 CarbonylContact C-O 3.57Å; L179-Y222 WeakPolarHBondContact CA-O 3.41Å; L179-V224 HydrophobicContact CB-CG2 4.07Å; L179-V224 HydrophobicContact CD1-CG2 4.48Å; L179-V224 HydrophobicContact CD2-CG1 4.42Å; L179-V224 HydrophobicContact CD2-CG2 4.4Å; L179-F233 HydrophobicContact CD1-CE1 4.2Å; L179-F233 HydrophobicContact CD1-CZ 3.87Å
180I94.9Very high80.5Confident18 Ų1863 Ų639%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-107.7120.9174.2-47-62.7000107.5T178 R185 E221 Y222 V224T178-I180 HydrophobicContact CG2-CD1 3.94Å; I180-R185 HydrophobicContact CD1-CB 4.18Å; I180-R185 HydrophobicContact CD1-CG 3.61Å; I180-E221 HydrophobicContact CD1-CB 4.06Å; I180-E221 HydrophobicContact CG1-CB 3.96Å; I180-Y222 PolarHBondContact N-O 2.72Å; I180-V224 PolarHBondContact O-N 2.71Å; I180-V224 VanDerWaalsContact O-N 3.07Å
181V95.7Very high83.1Confident2 Ų257.7 Ų57.71%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-142.6128.3178.6-173.20000107.8N183 T184 F186 V224 A225 I228 F233V181-N183 VanDerWaalsContact C-N 3.28Å; V181-N183 PolarHBondContact O-N 3.27Å; V181-T184 PolarHBondContact N-O 3.27Å; V181-T184 VanDerWaalsContact N-O 3.07Å; V181-T184 WeakPolarHBondContact O-CA 3.42Å; V181-T184 VanDerWaalsContact O-CB 3.31Å; V181-T184 WeakPolarHBondContact O-CB 3.37Å; V181-T184 PolarHBondContact O-N 3.39Å; V181-F186 HydrophobicContact CB-CD2 4.31Å; V181-F186 HydrophobicContact CB-CE2 3.99Å; V181-F186 HydrophobicContact CG2-CD2 4.39Å; V181-V224 HydrophobicContact CG2-CG2 3.61Å; V181-A225 HydrophobicContact CG1-CB 3.85Å; V181-A225 HydrophobicContact CG2-CB 4.04Å; V181-I228 WeakPolarHBondContact CG1-O 3.47Å; V181-F233 HydrophobicContact CB-CB 4.45Å; V181-F233 HydrophobicContact CB-CD1 4.2Å; V181-F233 HydrophobicContact CB-CD2 4.47Å; V181-F233 HydrophobicContact CB-CG 4.12Å; V181-F233 HydrophobicContact CG1-CB 3.96Å; V181-F233 HydrophobicContact CG1-CD2 4.09Å; V181-F233 HydrophobicContact CG1-CG 3.94Å; V181-F233 HydrophobicContact CG2-CD1 3.76Å; V181-F233 HydrophobicContact CG2-CD2 3.92Å; V181-F233 HydrophobicContact CG2-CE1 3.72Å; V181-F233 HydrophobicContact CG2-CE2 3.89Å; V181-F233 HydrophobicContact CG2-CG 3.86Å; V181-F233 HydrophobicContact CG2-CZ 3.79Å
182D94.8Very high85.6Confident87 Ų8752.9 Ų52.947%0.46527%0.265SS..THydrogen-bonded Turntrans50.151.2179.7177.440.4000111.3T184 S230D182-T184 PolarHBondContact O-N 2.96Å; D182-T184 PolarHBondContact O-OG1 3.23Å; D182-S230 WeakPolarHBondContact OD2-CB 3.42Å; D182-S230 PolarHBondContact OD2-N 2.88Å; D182-S230 PolarHBondContact OD2-OG 2.91Å
183N93.2Very high88Confident145 Ų14541.5 Ų41.578%0.77522%0.222SC*.THydrogen-bonded Turntrans498.6-171.8-62.6114.8000116.8V181V181-N183 VanDerWaalsContact C-N 3.28Å; V181-N183 PolarHBondContact O-N 3.27Å
184T95.9Very high90.2Very high10 Ų1039.6 Ų39.66%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-100.8139.7-175-61.50000110M150 F152 V181 D182 F186 S230M150-T184 HydrophobicContact CB-CG2 4.28Å; F152-T184 HydrophobicContact CD2-CG2 3.66Å; F152-T184 HydrophobicContact CE2-CG2 3.59Å; V181-T184 PolarHBondContact N-O 3.27Å; V181-T184 VanDerWaalsContact N-O 3.07Å; V181-T184 WeakPolarHBondContact O-CA 3.42Å; V181-T184 VanDerWaalsContact O-CB 3.31Å; V181-T184 WeakPolarHBondContact O-CB 3.37Å; V181-T184 PolarHBondContact O-N 3.39Å; D182-T184 PolarHBondContact O-N 2.96Å; D182-T184 PolarHBondContact O-OG1 3.23Å; T184-F186 HydrophobicContact CG2-CD2 4.3Å; T184-F186 HydrophobicContact CG2-CE2 3.58Å; T184-F186 HydrophobicContact CG2-CZ 3.73Å; T184-F186 WeakPolarHBondContact O-CD2 3.47Å; T184-S230 WeakPolarHBondContact OG1-CB 3.21Å
185R96Very high91.8Very high48 Ų4839.7 Ų39.718%0.18122%0.215CC..EExtended strand (participates in β ladder)trans-97.2127.2-177.2-49-150.8-167177.47.2111.7E149 M150 V151 F152 T178 I180 E221E149-R185 IonicContact OE1-CZ 2.91Å; E149-R185 IonicContact OE1-NE 3.61Å; E149-R185 PolarHBondContact OE1-NE 2.81Å; E149-R185 IonicContact OE1-NH2 2.72Å; E149-R185 PolarHBondContact OE1-NH2 2.96Å; E149-R185 IonicContact OE2-NH2 3.34Å; M150-R185 PolarHBondContact O-N 3.18Å; V151-R185 WeakPolarHBondContact CA-O 3.43Å; V151-R185 HydrophobicContact CG1-CB 4.34Å; V151-R185 HydrophobicContact CG2-CB 4.24Å; F152-R185 PolarHBondContact N-O 3.19Å; T178-R185 HydrophobicContact CG2-CB 3.92Å; T178-R185 HydrophobicContact CG2-CG 4.49Å; I180-R185 HydrophobicContact CD1-CB 4.18Å; I180-R185 HydrophobicContact CD1-CG 3.61Å; R185-E221 WeakPolarHBondContact CD-OE1 3.32Å; R185-E221 IonicContact CZ-OE1 2.7Å; R185-E221 IonicContact CZ-OE2 2.77Å; R185-E221 IonicContact NE-OE1 3.95Å; R185-E221 IonicContact NH1-OE1 2.81Å; R185-E221 PolarHBondContact NH1-OE1 3.34Å; R185-E221 IonicContact NH1-OE2 3.47Å; R185-E221 PolarHBondContact NH1-OE2 2.85Å
186F96Very high92.6Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-116.8103.6178.3-61.8-98.5000109.1F152 Y154 L179 V181 T184 V188 S230 F233 R234 L237F152-F186 HydrophobicContact CB-CD1 4.24Å; F152-F186 HydrophobicContact CD2-CE1 4.16Å; F152-F186 HydrophobicContact CD2-CZ 4.47Å; Y154-F186 AromaticContact CE2-CD1 3.72Å; Y154-F186 HydrophobicContact CE2-CD1 3.72Å; L179-F186 HydrophobicContact CB-CB 4.32Å; L179-F186 PolarHBondContact N-O 3.46Å; L179-F186 PolarHBondContact O-N 2.76Å; V181-F186 HydrophobicContact CB-CD2 4.31Å; V181-F186 HydrophobicContact CB-CE2 3.99Å; V181-F186 HydrophobicContact CG2-CD2 4.39Å; T184-F186 HydrophobicContact CG2-CD2 4.3Å; T184-F186 HydrophobicContact CG2-CE2 3.58Å; T184-F186 HydrophobicContact CG2-CZ 3.73Å; T184-F186 WeakPolarHBondContact O-CD2 3.47Å; F186-V188 HydrophobicContact CB-CG1 4.47Å; F186-S230 WeakPolarHBondContact CZ-O 3.37Å; F186-F233 HydrophobicContact CB-CE1 4.3Å; F186-F233 AromaticContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CE1 4.32Å; F186-F233 AromaticContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CE1 4.15Å; F186-F233 AromaticContact CE1-CD1 3.96Å; F186-F233 HydrophobicContact CE1-CD1 3.96Å; F186-F233 AromaticContact CE2-CD1 3.89Å; F186-F233 HydrophobicContact CE2-CD1 3.89Å; F186-F233 AromaticContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CE1 4.01Å; F186-F233 HydrophobicContact CZ-CB 4.39Å; F186-F233 AromaticContact CZ-CD1 3.95Å; F186-F233 HydrophobicContact CZ-CD1 3.95Å; F186-R234 HydrophobicContact CE1-CB 4.27Å; F186-L237 HydrophobicContact CB-CD1 4.15Å; F186-L237 HydrophobicContact CD1-CD1 3.52Å; F186-L237 HydrophobicContact CE1-CD1 4.31Å; F186-L237 HydrophobicContact CG-CD1 4.15Å
187V94.8Very high92.7Very high28 Ų2834.9 Ų34.917%0.1720%0.203CC..EExtended strand (participates in β ladder)trans-89.3110.2177.9-178.60000108.6V151 F152 V153 Y154 R176 T178V151-V187 HydrophobicContact CG1-CG2 3.79Å; F152-V187 PolarHBondContact O-N 2.77Å; V153-V187 HydrophobicContact CG2-CB 4.42Å; Y154-V187 PolarHBondContact N-O 3.43Å; R176-V187 HydrophobicContact CB-CG1 3.82Å; R176-V187 HydrophobicContact CG-CG1 4.45Å; T178-V187 HydrophobicContact CG2-CG2 4.26Å
188V92.8Very high92.8Very high0 Ų040.1 Ų40.10%023%0.231CC..EExtended strand (participates in β ladder)trans-124.4149-171.1-62.20000111.4Y154 R176 V177 L179 F186 P190 I192 F193 L237Y154-V188 HydrophobicContact CD2-CG1 3.97Å; Y154-V188 HydrophobicContact CG-CG1 4.27Å; R176-V188 CarbonylContact C-O 3.59Å; R176-V188 VanDerWaalsContact CA-O 3.26Å; R176-V188 WeakPolarHBondContact CA-O 3.11Å; V177-V188 PolarHBondContact N-O 3.21Å; V177-V188 WeakPolarHBondContact O-CG2 3.3Å; V177-V188 PolarHBondContact O-N 3.13Å; L179-V188 HydrophobicContact CD1-CG2 4.03Å; L179-V188 HydrophobicContact CG-CG2 4.12Å; F186-V188 HydrophobicContact CB-CG1 4.47Å; V188-P190 WeakPolarHBondContact O-CD 3.33Å; V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-F193 HydrophobicContact CB-CE2 4.5Å; V188-F193 HydrophobicContact CG2-CE2 3.73Å; V188-F193 HydrophobicContact CG2-CZ 3.96Å; V188-L237 HydrophobicContact CG1-CD1 4.06Å; V188-L237 HydrophobicContact CG1-CD2 4.15Å
189D91.6Very high92.8Very high22 Ų2239 Ų3912%0.11822%0.224CC..  trans-79.3119163.3-175.3-41.4000108.6S174 S191 I192S174-D189 WeakPolarHBondContact CB-OD2 3.26Å; S174-D189 PolarHBondContact OG-OD2 2.84Å; S174-D189 VanDerWaalsContact OG-OD2 3.07Å; D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.66Å; D189-S191 PolarHBondContact OD1-OG 3.03Å; D189-I192 WeakPolarHBondContact O-CG1 3.36Å; D189-I192 PolarHBondContact O-N 2.92Å
190P89.3Confident92.7Very high13 Ų1341.7 Ų41.78%0.08424%0.237CC..G310 helixtrans-56.9-22.4-177.5-28.937.5000114.9E175 V177 V188 I192 F193 F205E175-P190 WeakPolarHBondContact O-CD 3.24Å; E175-P190 VanDerWaalsContact O-CG 3.3Å; E175-P190 WeakPolarHBondContact O-CG 3.18Å; V177-P190 HydrophobicContact CB-CG 4.16Å; V177-P190 HydrophobicContact CG2-CG 3.6Å; V188-P190 WeakPolarHBondContact O-CD 3.33Å; P190-I192 PolarHBondContact O-N 3.39Å; P190-I192 VanDerWaalsContact O-N 3.1Å; P190-F193 WeakPolarHBondContact O-CD2 3.19Å; P190-F193 PolarHBondContact O-N 3.36Å; P190-F193 VanDerWaalsContact O-N 3.07Å; P190-F205 HydrophobicContact CB-CB 4.42Å
191S88.9Confident92.7Very high46 Ų4640.8 Ų40.832%0.32223%0.233SC..G310 helixtrans-58.7-24.3179.163.70000113.5D189 F193 T194D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.66Å; D189-S191 PolarHBondContact OD1-OG 3.03Å; S191-F193 PolarHBondContact O-N 3.3Å; S191-T194 WeakPolarHBondContact O-CB 3.49Å; S191-T194 PolarHBondContact O-N 3.07Å; S191-T194 PolarHBondContact O-OG1 2.57Å
192I91.3Very high92.5Very high11 Ų1140.9 Ų40.96%0.05623%0.234CC..G310 helixtrans-62.1-32.617772.7-177.9000112.1V188 D189 P190 T194 A195 L237V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; D189-I192 WeakPolarHBondContact O-CG1 3.36Å; D189-I192 PolarHBondContact O-N 2.92Å; P190-I192 PolarHBondContact O-N 3.39Å; P190-I192 VanDerWaalsContact O-N 3.1Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.1Å; I192-A195 PolarHBondContact O-N 3.3Å; I192-L237 HydrophobicContact CD1-CD2 4.33Å
193F92.1Very high92.3Very high0 Ų044 Ų440%024%0.239CC..G310 helixtrans-72.9-20.8-178-57-62.4000112.8L179 V188 P190 S191 A195 Q196 L201 F205 L237 Y240L179-F193 HydrophobicContact CD1-CE2 4.39Å; L179-F193 HydrophobicContact CD1-CZ 3.85Å; V188-F193 HydrophobicContact CB-CE2 4.5Å; V188-F193 HydrophobicContact CG2-CE2 3.73Å; V188-F193 HydrophobicContact CG2-CZ 3.96Å; P190-F193 WeakPolarHBondContact O-CD2 3.19Å; P190-F193 PolarHBondContact O-N 3.36Å; P190-F193 VanDerWaalsContact O-N 3.07Å; S191-F193 PolarHBondContact O-N 3.3Å; F193-A195 PolarHBondContact O-N 3.22Å; F193-Q196 CarbonylContact O-C 3.52Å; F193-Q196 PolarHBondContact O-N 2.96Å; F193-Q196 VanDerWaalsContact O-N 3.13Å; F193-L201 HydrophobicContact CD1-CB 3.62Å; F193-L201 HydrophobicContact CD1-CD1 4.34Å; F193-L201 HydrophobicContact CE1-CB 3.8Å; F193-L201 HydrophobicContact CE1-CD1 3.7Å; F193-L201 HydrophobicContact CE1-CG 4.37Å; F193-L201 HydrophobicContact CG-CB 4.28Å; F193-L201 HydrophobicContact CZ-CD1 4.36Å; F193-F205 HydrophobicContact CB-CB 4.22Å; F193-F205 HydrophobicContact CD2-CB 3.45Å; F193-F205 VanDerWaalsContact CD2-CB 3.45Å; F193-F205 HydrophobicContact CD2-CD2 4.21Å; F193-F205 HydrophobicContact CD2-CG 4.09Å; F193-F205 HydrophobicContact CE2-CB 4.13Å; F193-F205 HydrophobicContact CE2-CD2 4.2Å; F193-F205 HydrophobicContact CE2-CG 4.3Å; F193-F205 HydrophobicContact CG-CB 4.08Å; F193-L237 HydrophobicContact CE1-CD2 4.01Å; F193-L237 HydrophobicContact CZ-CD2 4.02Å; F193-Y240 AromaticContact CD1-CD1 3.64Å; F193-Y240 HydrophobicContact CD1-CD1 3.64Å; F193-Y240 AromaticContact CD1-CD2 4Å; F193-Y240 HydrophobicContact CD1-CD2 4Å; F193-Y240 AromaticContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE2 4.12Å; F193-Y240 AromaticContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CE1-CD1 4.39Å; F193-Y240 AromaticContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CE2 4.08Å; F193-Y240 HydrophobicContact CE1-CG 4.11Å
194T88.8Confident92Very high79 Ų7938.2 Ų38.249%0.48521%0.208SC..G310 helixtrans-64.5-20.4176.769.40000113.5S191 I192 Q196S191-T194 WeakPolarHBondContact O-CB 3.49Å; S191-T194 PolarHBondContact O-N 3.07Å; S191-T194 PolarHBondContact O-OG1 2.57Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.1Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 PolarHBondContact O-N 3.39Å
195A87.9Confident91.6Very high61 Ų6138.1 Ų38.150%0.50421%0.206SC..G310 helixtrans-71.2-19.3175.900000113.5I192 F193I192-A195 PolarHBondContact O-N 3.3Å; F193-A195 PolarHBondContact O-N 3.22Å
196Q92.3Very high90.8Very high55 Ų5536.2 Ų36.226%0.25720%0.202SC..  trans-138.161.4-174.8-64.4-66-5.200111.6F193 T194 N198 T199 Y239 Y240F193-Q196 CarbonylContact O-C 3.52Å; F193-Q196 PolarHBondContact O-N 2.96Å; F193-Q196 VanDerWaalsContact O-N 3.13Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 PolarHBondContact O-N 3.39Å; Q196-N198 PolarHBondContact O-N 3.25Å; Q196-N198 VanDerWaalsContact O-N 3.08Å; Q196-T199 HydrophobicContact CB-CG2 4.02Å; Q196-T199 PolarHBondContact O-N 2.95Å; Q196-T199 PolarHBondContact O-OG1 3.33Å; Q196-Y239 HydrophobicContact CB-CE1 4.07Å; Q196-Y239 HydrophobicContact CG-CD1 4.24Å; Q196-Y239 HydrophobicContact CG-CE1 3.57Å; Q196-Y239 PolarHBondContact OE1-OH 2.73Å; Q196-Y240 HydrophobicContact CB-CD1 3.8Å; Q196-Y240 HydrophobicContact CB-CE1 3.76Å; Q196-Y240 HydrophobicContact CG-CD1 4.16Å; Q196-Y240 HydrophobicContact CG-CE1 4.49Å
197P91.5Very high89.4Confident71 Ų7142.4 Ų42.446%0.46125%0.245SC..THydrogen-bonded Turntrans-68.8-11.4-166.229.6-37.6000115.1R203P197-R203 WeakPolarHBondContact O-CG 3.42Å
198N92Very high87.8Confident119 Ų11942.8 Ų42.864%0.63626%0.255SS*.THydrogen-bonded Turntrans-83.3-17.7178.7-74-33.6000113.9Q196 R203Q196-N198 PolarHBondContact O-N 3.25Å; Q196-N198 VanDerWaalsContact O-N 3.08Å; N198-R203 PolarHBondContact O-NE 3.43Å; N198-R203 PolarHBondContact O-NH2 2.89Å
199T94.7Very high86.5Confident4 Ų446.8 Ų46.83%0.02527%0.27CS..SBendtrans-72.3164.7177.263.10000112Q196 L201 G202 R203 Y239 Y240 I265Q196-T199 HydrophobicContact CB-CG2 4.02Å; Q196-T199 PolarHBondContact O-N 2.95Å; Q196-T199 PolarHBondContact O-OG1 3.33Å; T199-L201 PolarHBondContact O-N 2.7Å; T199-G202 PolarHBondContact O-N 2.85Å; T199-G202 WeakPolarHBondContact OG1-CA 3.47Å; T199-G202 PolarHBondContact OG1-N 3.08Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-N 3.44Å; T199-Y239 HydrophobicContact CG2-CE1 4.2Å; T199-Y240 WeakPolarHBondContact CB-OH 3.41Å; T199-Y240 HydrophobicContact CG2-CE1 4.23Å; T199-Y240 WeakPolarHBondContact OG1-CE1 3.37Å; T199-Y240 PolarHBondContact OG1-OH 2.88Å; T199-Y240 VanDerWaalsContact OG1-OH 3.08Å; T199-I265 HydrophobicContact CG2-CG1 3.77Å
200M93.1Very high85Confident56 Ų5654.3 Ų54.328%0.27631%0.305SS..Hα-helixtrans-55.7-51.6173.9-177.7-174.2-77.900111.6R203 M204 Y262 L263M200-R203 PolarHBondContact O-N 2.96Å; M200-M204 HydrophobicContact CG-SD 3.63Å; M200-M204 WeakPolarHBondContact O-CB 3.34Å; M200-M204 VanDerWaalsContact O-CG 3.27Å; M200-M204 WeakPolarHBondContact O-CG 3.21Å; M200-M204 PolarHBondContact O-N 3.33Å; M200-M204 HydrophobicContact SD-SD 4.23Å; M200-Y262 HydrophobicContact CE-CD1 3.98Å; M200-Y262 HydrophobicContact CE-CE1 3.74Å; M200-Y262 WeakPolarHBondContact CE-O 3.48Å; M200-Y262 HydrophobicContact SD-CD1 4.19Å; M200-Y262 HydrophobicContact SD-CE1 3.69Å; M200-L263 HydrophobicContact CB-CD2 4.33Å; M200-L263 WeakPolarHBondContact CB-O 3.48Å; M200-L263 PolarHBondContact N-O 3.36Å; M200-L263 HydrophobicContact SD-CD2 3.86Å
201L93.1Very high83.6Confident0 Ų061.1 Ų61.10%034%0.335CS..Hα-helixtrans-70.1-33.3179.9-56177.3000112.3F193 T199 R203 M204 F205 F233 Y240 L263F193-L201 HydrophobicContact CD1-CB 3.62Å; F193-L201 HydrophobicContact CD1-CD1 4.34Å; F193-L201 HydrophobicContact CE1-CB 3.8Å; F193-L201 HydrophobicContact CE1-CD1 3.7Å; F193-L201 HydrophobicContact CE1-CG 4.37Å; F193-L201 HydrophobicContact CG-CB 4.28Å; F193-L201 HydrophobicContact CZ-CD1 4.36Å; T199-L201 PolarHBondContact O-N 2.7Å; L201-R203 VanDerWaalsContact C-N 3.28Å; L201-R203 PolarHBondContact O-N 2.93Å; L201-M204 HydrophobicContact CD2-SD 4.43Å; L201-M204 PolarHBondContact O-N 3.01Å; L201-F205 HydrophobicContact CB-CD2 4.37Å; L201-F205 HydrophobicContact CD2-CD2 4.28Å; L201-F205 HydrophobicContact CD2-CE2 4Å; L201-F205 PolarHBondContact O-N 3.5Å; L201-F233 HydrophobicContact CD1-CE2 3.9Å; L201-F233 HydrophobicContact CD1-CZ 3.91Å; L201-Y240 HydrophobicContact CB-CE1 4.47Å; L201-Y240 HydrophobicContact CD1-CE2 3.94Å; L201-L263 HydrophobicContact CG-CD2 4.32Å
202G92.1Very high82.4Confident3 Ų361.2 Ų61.23%0.03133%0.332CS..Hα-helixtrans-57.2-39.7171.900000113T199 G206T199-G202 PolarHBondContact O-N 2.85Å; T199-G202 WeakPolarHBondContact OG1-CA 3.47Å; T199-G202 PolarHBondContact OG1-N 3.08Å; G202-G206 VanDerWaalsContact O-CA 3.3Å; G202-G206 WeakPolarHBondContact O-CA 3.45Å; G202-G206 PolarHBondContact O-N 3.34Å
203R90.1Very high81.1Confident152 Ų15270.2 Ų70.257%0.57437%0.371SS*.Hα-helixtrans-75-45.8173.9-65.9174.6-177.21722.8111.9P197 N198 T199 M200 L201 F205P197-R203 WeakPolarHBondContact O-CG 3.42Å; N198-R203 PolarHBondContact O-NE 3.43Å; N198-R203 PolarHBondContact O-NH2 2.89Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-N 3.44Å; M200-R203 PolarHBondContact O-N 2.96Å; L201-R203 VanDerWaalsContact C-N 3.28Å; L201-R203 PolarHBondContact O-N 2.93Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.17Å
204M87.9Confident80.2Confident24 Ų2472.8 Ų72.812%0.11839%0.387CS..Hα-helixtrans-67.8-25.1-177.8-70.8171.86200114.6M200 L201 N212 T214 V224M200-M204 HydrophobicContact CG-SD 3.63Å; M200-M204 WeakPolarHBondContact O-CB 3.34Å; M200-M204 VanDerWaalsContact O-CG 3.27Å; M200-M204 WeakPolarHBondContact O-CG 3.21Å; M200-M204 PolarHBondContact O-N 3.33Å; M200-M204 HydrophobicContact SD-SD 4.23Å; L201-M204 HydrophobicContact CD2-SD 4.43Å; L201-M204 PolarHBondContact O-N 3.01Å; M204-N212 PolarHBondContact O-ND2 3.37Å; M204-N212 PolarHBondContact O-OD1 3.28Å; M204-T214 HydrophobicContact CE-CG2 3.8Å; M204-V224 HydrophobicContact CE-CG1 3.71Å
205F87.8Confident79.7Confident8 Ų879.3 Ų79.34%0.03540%0.403CS..Hα-helixtrans-131.8-0.4-173.9-60.8-69.8000114.4V177 L179 P190 F193 L201 R203 Y222V177-F205 HydrophobicContact CG1-CD1 4.4Å; V177-F205 HydrophobicContact CG1-CE1 3.88Å; V177-F205 HydrophobicContact CG1-CZ 4.41Å; L179-F205 HydrophobicContact CD2-CE1 4.16Å; L179-F205 HydrophobicContact CD2-CE2 3.64Å; L179-F205 HydrophobicContact CD2-CZ 3.42Å; L179-F205 VanDerWaalsContact CD2-CZ 3.42Å; P190-F205 HydrophobicContact CB-CB 4.42Å; F193-F205 HydrophobicContact CB-CB 4.22Å; F193-F205 HydrophobicContact CD2-CB 3.45Å; F193-F205 VanDerWaalsContact CD2-CB 3.45Å; F193-F205 HydrophobicContact CD2-CD2 4.21Å; F193-F205 HydrophobicContact CD2-CG 4.09Å; F193-F205 HydrophobicContact CE2-CB 4.13Å; F193-F205 HydrophobicContact CE2-CD2 4.2Å; F193-F205 HydrophobicContact CE2-CG 4.3Å; F193-F205 HydrophobicContact CG-CB 4.08Å; L201-F205 HydrophobicContact CB-CD2 4.37Å; L201-F205 HydrophobicContact CD2-CD2 4.28Å; L201-F205 HydrophobicContact CD2-CE2 4Å; L201-F205 PolarHBondContact O-N 3.5Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.17Å; F205-Y222 HydrophobicContact CE1-CD1 4.01Å; F205-Y222 HydrophobicContact CE1-CD2 4.31Å; F205-Y222 HydrophobicContact CE1-CE1 4.16Å; F205-Y222 HydrophobicContact CE1-CE2 4.47Å; F205-Y222 HydrophobicContact CE1-CG 4.09Å; F205-Y222 HydrophobicContact CZ-CD1 4.05Å; F205-Y222 HydrophobicContact CZ-CG 4.04Å
206G78.4Confident79.7Confident9 Ų979 Ų799%0.09340%0.396CS..SBendtrans-87.7-150170.500000113.6G202 G208 R209G202-G206 VanDerWaalsContact O-CA 3.3Å; G202-G206 WeakPolarHBondContact O-CA 3.45Å; G202-G206 PolarHBondContact O-N 3.34Å; G206-G208 PolarHBondContact O-N 3.08Å; G206-R209 WeakPolarHBondContact O-CB 3.38Å; G206-R209 PolarHBondContact O-N 3.41Å; G206-R209 VanDerWaalsContact O-N 3.17Å
207S67.3Low79.6Confident129 Ų12979.6 Ų79.690%0.90240%0.4SS*.THydrogen-bonded Turntrans-61.1-17.6-170-42.50000115.8R209S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 3.04Å
208G61.4Low79.5Confident37 Ų3786.2 Ų86.238%0.38143%0.425SS..THydrogen-bonded Turntrans-84.15.7178.300000115G206 E210 H211G206-G208 PolarHBondContact O-N 3.08Å; G208-E210 PolarHBondContact O-N 2.82Å; G208-H211 PolarHBondContact O-N 2.88Å
209R65.4Low79.3Confident83 Ų8387.5 Ų87.531%0.31343%0.425SS..G310 helixtrans-54.1-30.3-167-177.2174.8169.5-151-10.4115.1E175 G206 S207 H211 N212E175-R209 VanDerWaalsContact CD-NH2 3.3Å; E175-R209 IonicContact OE1-CZ 2.86Å; E175-R209 IonicContact OE1-NH1 3.46Å; E175-R209 IonicContact OE1-NH2 2.96Å; E175-R209 PolarHBondContact OE1-NH2 2.84Å; E175-R209 IonicContact OE2-CZ 2.85Å; E175-R209 IonicContact OE2-NH1 2.76Å; E175-R209 PolarHBondContact OE2-NH1 3.14Å; E175-R209 IonicContact OE2-NH2 3.11Å; E175-R209 PolarHBondContact OE2-NH2 3.5Å; G206-R209 WeakPolarHBondContact O-CB 3.38Å; G206-R209 PolarHBondContact O-N 3.41Å; G206-R209 VanDerWaalsContact O-N 3.17Å; S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 3.04Å; R209-H211 PolarHBondContact O-N 3.42Å; R209-N212 WeakPolarHBondContact CA-ND2 3.48Å; R209-N212 PolarHBondContact O-ND2 2.91Å
210E58.5Low79Confident180 Ų18089.2 Ų89.284%0.84144%0.444SS*.G310 helixtrans-72.3-8.4179-61.8-178.9-160.800114G208G208-E210 PolarHBondContact O-N 2.82Å
211H61.1Low79Confident157 Ų15787.2 Ų87.273%0.72743%0.434SS*.G310 helixtrans-12015-178.9-59.1-13.9000112.8G208 R209 F213G208-H211 PolarHBondContact O-N 2.88Å; R209-H211 PolarHBondContact O-N 3.42Å; H211-F213 PolarHBondContact O-N 3.17Å
212N64.5Low79Confident48 Ų4888.6 Ų88.626%0.25744%0.439SS..  trans-67.5129.9178.1-78.6-30.8000112.9M204 R209M204-N212 PolarHBondContact O-ND2 3.37Å; M204-N212 PolarHBondContact O-OD1 3.28Å; R209-N212 WeakPolarHBondContact CA-ND2 3.48Å; R209-N212 PolarHBondContact O-ND2 2.91Å
213F63.5Low79Confident199 Ų19995.4 Ų95.487%0.87347%0.47SS*.  trans-79.4-25.1166.8-67.3-87000112.7H211 R215H211-F213 PolarHBondContact O-N 3.17Å; F213-R215 PolarHBondContact O-N 2.91Å; F213-R215 VanDerWaalsContact O-N 3.15Å
214T72.2Confident79.1Confident55 Ų5589 Ų8934%0.33745%0.448SS..  trans-69.4109176.7-43.20000110.1M204 Y222M204-T214 HydrophobicContact CE-CG2 3.8Å; T214-Y222 HydrophobicContact CG2-CD1 4.18Å
215R79.7Confident79.2Confident215 Ų21587.9 Ų87.981%0.81144%0.443SS*.  trans-93145.8175.8-64.3-178.9180-172.8-1.5110.2F213F213-R215 PolarHBondContact O-N 2.91Å; F213-R215 VanDerWaalsContact O-N 3.15Å
216P87.4Confident79.4Confident56 Ų5695.6 Ų95.636%0.36448%0.479SS..  trans-67.2159.8168.629.3-33.5000111.2G220 E221 Y222P216-G220 VanDerWaalsContact CB-C 3.47Å; P216-E221 CarbonylContact C-O 3.59Å; P216-E221 VanDerWaalsContact CA-O 3.32Å; P216-E221 WeakPolarHBondContact CA-O 3.43Å; P216-Y222 HydrophobicContact CB-CD1 4.49Å; P216-Y222 HydrophobicContact CB-CD2 4.11Å; P216-Y222 HydrophobicContact CB-CE1 4.22Å; P216-Y222 HydrophobicContact CB-CE2 3.82Å; P216-Y222 HydrophobicContact CB-CG 4.43Å; P216-Y222 HydrophobicContact CG-CE1 4.43Å; P216-Y222 HydrophobicContact CG-CE2 4.36Å
217N89.3Confident80.2Confident66 Ų6699.2 Ų99.235%0.35352%0.516SS..  trans-71-179.9169.471.415.9000112K219 G220 E221N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 WeakPolarHBondContact OD1-CA 3.3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.39Å; N217-K219 PolarHBondContact OD1-N 3.03Å; N217-G220 PolarHBondContact O-N 3.17Å; N217-G220 PolarHBondContact OD1-N 3.08Å; N217-E221 VanDerWaalsContact CG-O 3.26Å; N217-E221 PolarHBondContact N-O 2.74Å; N217-E221 PolarHBondContact OD1-N 3.05Å; N217-E221 PolarHBondContact OD1-O 3.24Å
218E90Very high81.6Confident210 Ų21093.7 Ų93.798%0.98148%0.477SS*.THydrogen-bonded Turntrans-56.6-17.8179.6-59.2-177.6160.700114.8
219K88.7Confident83.3Confident146 Ų14693.3 Ų93.364%0.63547%0.468SS*.THydrogen-bonded Turntrans-97.4-1.7178.9-60.8172.3-179.5169.60113.4N217 E221N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 WeakPolarHBondContact OD1-CA 3.3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.39Å; N217-K219 PolarHBondContact OD1-N 3.03Å; K219-E221 HydrophobicContact CB-CG 3.89Å; K219-E221 WeakPolarHBondContact CD-OE2 3.37Å
220G87.9Confident84.8Confident41 Ų4190.1 Ų90.142%0.42346%0.458SS..SBendtrans85.313.1-174.700000114.7P216 N217P216-G220 VanDerWaalsContact CB-C 3.47Å; N217-G220 PolarHBondContact O-N 3.17Å; N217-G220 PolarHBondContact OD1-N 3.08Å
221E92.4Very high86.6Confident14 Ų1483.5 Ų83.57%0.06543%0.43CS..  trans-106.1146.5-172.8-42.6-178.4110.500111.1T178 I180 R185 P216 N217 K219T178-E221 HydrophobicContact CG2-CB 4.37Å; T178-E221 HydrophobicContact CG2-CG 4.26Å; T178-E221 WeakPolarHBondContact CG2-OE1 3.39Å; I180-E221 HydrophobicContact CD1-CB 4.06Å; I180-E221 HydrophobicContact CG1-CB 3.96Å; R185-E221 WeakPolarHBondContact CD-OE1 3.32Å; R185-E221 IonicContact CZ-OE1 2.7Å; R185-E221 IonicContact CZ-OE2 2.77Å; R185-E221 IonicContact NE-OE1 3.95Å; R185-E221 IonicContact NH1-OE1 2.81Å; R185-E221 PolarHBondContact NH1-OE1 3.34Å; R185-E221 IonicContact NH1-OE2 3.47Å; R185-E221 PolarHBondContact NH1-OE2 2.85Å; P216-E221 CarbonylContact C-O 3.59Å; P216-E221 VanDerWaalsContact CA-O 3.32Å; P216-E221 WeakPolarHBondContact CA-O 3.43Å; N217-E221 VanDerWaalsContact CG-O 3.26Å; N217-E221 PolarHBondContact N-O 2.74Å; N217-E221 PolarHBondContact OD1-N 3.05Å; N217-E221 PolarHBondContact OD1-O 3.24Å; K219-E221 HydrophobicContact CB-CG 3.89Å; K219-E221 WeakPolarHBondContact CD-OE2 3.37Å
222Y92.4Very high88.3Confident28 Ų2876 Ų7611%0.1140%0.396CS..EExtended strand (participates in β ladder)trans-107115.3-175.4-63.2-107.6000109.9V177 T178 L179 I180 F205 T214 P216V177-Y222 HydrophobicContact CG1-CD2 3.47Å; V177-Y222 VanDerWaalsContact CG1-CD2 3.47Å; V177-Y222 HydrophobicContact CG1-CE2 3.78Å; V177-Y222 HydrophobicContact CG1-CG 4.32Å; V177-Y222 HydrophobicContact CG2-CE2 4.48Å; T178-Y222 PolarHBondContact O-N 2.71Å; L179-Y222 CarbonylContact C-O 3.57Å; L179-Y222 WeakPolarHBondContact CA-O 3.41Å; I180-Y222 PolarHBondContact N-O 2.72Å; F205-Y222 HydrophobicContact CE1-CD1 4.01Å; F205-Y222 HydrophobicContact CE1-CD2 4.31Å; F205-Y222 HydrophobicContact CE1-CE1 4.16Å; F205-Y222 HydrophobicContact CE1-CE2 4.47Å; F205-Y222 HydrophobicContact CE1-CG 4.09Å; F205-Y222 HydrophobicContact CZ-CD1 4.05Å; F205-Y222 HydrophobicContact CZ-CG 4.04Å; T214-Y222 HydrophobicContact CG2-CD1 4.18Å; P216-Y222 HydrophobicContact CB-CD1 4.49Å; P216-Y222 HydrophobicContact CB-CD2 4.11Å; P216-Y222 HydrophobicContact CB-CE1 4.22Å; P216-Y222 HydrophobicContact CB-CE2 3.82Å; P216-Y222 HydrophobicContact CB-CG 4.43Å; P216-Y222 HydrophobicContact CG-CE1 4.43Å; P216-Y222 HydrophobicContact CG-CE2 4.36Å
223E92.6Very high89.9Confident147 Ų14773.8 Ų73.869%0.68738%0.384SS*.EExtended strand (participates in β ladder)trans-78.3123.4169.7-168.2157.6-145.900109.1
224V92.1Very high91.4Very high16 Ų1668.1 Ų68.110%0.09736%0.356CS..  trans-145.4168.3-171.6-56.80000110.4L179 I180 V181 M204 E226 F233L179-V224 HydrophobicContact CB-CG2 4.07Å; L179-V224 HydrophobicContact CD1-CG2 4.48Å; L179-V224 HydrophobicContact CD2-CG1 4.42Å; L179-V224 HydrophobicContact CD2-CG2 4.4Å; I180-V224 PolarHBondContact O-N 2.71Å; I180-V224 VanDerWaalsContact O-N 3.07Å; V181-V224 HydrophobicContact CG2-CG2 3.61Å; M204-V224 HydrophobicContact CE-CG1 3.71Å; V224-E226 PolarHBondContact O-N 3.08Å; V224-F233 HydrophobicContact CG2-CZ 4.31Å
225A91.4Very high92.6Very high2 Ų265.8 Ų65.82%0.01734%0.343CS..  trans57.144.6170.300000113.6V181 G227 I228 F233 L263V181-A225 HydrophobicContact CG1-CB 3.85Å; V181-A225 HydrophobicContact CG2-CB 4.04Å; A225-G227 PolarHBondContact O-N 2.91Å; A225-I228 HydrophobicContact CB-CB 4.17Å; A225-I228 HydrophobicContact CB-CD1 3.99Å; A225-I228 HydrophobicContact CB-CG1 4.41Å; A225-I228 WeakPolarHBondContact O-CB 3.46Å; A225-I228 PolarHBondContact O-N 3.32Å; A225-F233 HydrophobicContact CB-CD2 3.86Å; A225-F233 HydrophobicContact CB-CE2 3.83Å; A225-L263 HydrophobicContact CB-CD2 4.32Å
226E91.9Very high93.4Very high170 Ų17055.6 Ų55.679%0.79430%0.304SS*.THydrogen-bonded Turntrans-55.4133.8177.4-171.3-178.8178.300111V224 I228 Y262V224-E226 PolarHBondContact O-N 3.08Å; E226-I228 VanDerWaalsContact C-N 3.27Å; E226-I228 PolarHBondContact O-N 2.83Å; E226-Y262 PolarHBondContact N-OH 2.9Å
227G93.7Very high93.8Very high85 Ų8552.9 Ų52.988%0.87629%0.287SS*.THydrogen-bonded Turntrans82.7-14.3-175.700000115.4A225A225-G227 PolarHBondContact O-N 2.91Å
228I97.4Very high94Very high13 Ų1352.3 Ų52.37%0.06728%0.284CS..  trans-87.2126.8178.7-59.2178000110V181 A225 E226 V232 F233 I236 A259 Y262 L263V181-I228 WeakPolarHBondContact CG1-O 3.47Å; A225-I228 HydrophobicContact CB-CB 4.17Å; A225-I228 HydrophobicContact CB-CD1 3.99Å; A225-I228 HydrophobicContact CB-CG1 4.41Å; A225-I228 WeakPolarHBondContact O-CB 3.46Å; A225-I228 PolarHBondContact O-N 3.32Å; E226-I228 VanDerWaalsContact C-N 3.27Å; E226-I228 PolarHBondContact O-N 2.83Å; I228-V232 HydrophobicContact CG2-CB 4.01Å; I228-V232 HydrophobicContact CG2-CG1 3.72Å; I228-F233 HydrophobicContact CG2-CB 4.34Å; I228-I236 HydrophobicContact CG2-CD1 4.42Å; I228-A259 HydrophobicContact CB-CB 4.49Å; I228-A259 HydrophobicContact CD1-CB 3.78Å; I228-A259 HydrophobicContact CG1-CB 3.85Å; I228-A259 HydrophobicContact CG2-CB 3.9Å; I228-Y262 HydrophobicContact CD1-CD1 3.82Å; I228-Y262 HydrophobicContact CD1-CE1 4.47Å; I228-Y262 HydrophobicContact CD1-CG 4.19Å; I228-L263 HydrophobicContact CD1-CD1 3.91Å; I228-L263 HydrophobicContact CD1-CD2 4.35Å; I228-L263 HydrophobicContact CD1-CG 3.79Å
229S96.8Very high94.3Very high28 Ų2843 Ų4320%0.19624%0.24CC..  trans-67.4146-179.970.30000112.4T231 V232 F233 E255S229-T231 PolarHBondContact O-N 3.17Å; S229-V232 PolarHBondContact O-N 3.48Å; S229-V232 VanDerWaalsContact OG-CG2 3.28Å; S229-V232 WeakPolarHBondContact OG-CG2 3.4Å; S229-V232 PolarHBondContact OG-N 3.1Å; S229-F233 PolarHBondContact O-N 3.31Å; S229-E255 PolarHBondContact OG-OE1 3.37Å
230S96.3Very high94.6Very high16 Ų1636.3 Ų36.311%0.11221%0.211CC..Hα-helixtrans-57.4-25.2179.152.60000113.3D182 T184 F186 R234D182-S230 WeakPolarHBondContact OD2-CB 3.42Å; D182-S230 PolarHBondContact OD2-N 2.88Å; D182-S230 PolarHBondContact OD2-OG 2.91Å; T184-S230 WeakPolarHBondContact OG1-CB 3.21Å; F186-S230 WeakPolarHBondContact CZ-O 3.37Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 3.21Å; S230-R234 PolarHBondContact O-NH1 2.64Å
231T96.4Very high94.7Very high42 Ų4238.3 Ų38.326%0.25821%0.208SC..Hα-helixtrans-79.8-36.8174.8-76.70000113.1S229 R234 P248 I251S229-T231 PolarHBondContact O-N 3.17Å; T231-R234 PolarHBondContact OG1-NH1 3.03Å; T231-R234 PolarHBondContact OG1-NH2 3.47Å; T231-P248 HydrophobicContact CG2-CB 3.68Å; T231-P248 HydrophobicContact CG2-CG 3.85Å; T231-I251 HydrophobicContact CG2-CD1 3.96Å; T231-I251 HydrophobicContact CG2-CG1 3.88Å
232V97.7Very high94.8Very high0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-67.7-45.3170.5170.40000110.5I228 S229 R234 A235 I236 I251 E255 L256 A259I228-V232 HydrophobicContact CG2-CB 4.01Å; I228-V232 HydrophobicContact CG2-CG1 3.72Å; S229-V232 PolarHBondContact O-N 3.48Å; S229-V232 VanDerWaalsContact OG-CG2 3.28Å; S229-V232 WeakPolarHBondContact OG-CG2 3.4Å; S229-V232 PolarHBondContact OG-N 3.1Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 2.81Å; V232-A235 PolarHBondContact O-N 2.88Å; V232-I236 HydrophobicContact CG1-CD1 3.59Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-I236 VanDerWaalsContact O-N 3.08Å; V232-I251 HydrophobicContact CG2-CB 4.47Å; V232-I251 HydrophobicContact CG2-CD1 3.89Å; V232-I251 HydrophobicContact CG2-CG1 4.04Å; V232-I251 HydrophobicContact CG2-CG2 3.59Å; V232-E255 HydrophobicContact CG2-CG 4.23Å; V232-E255 WeakPolarHBondContact CG2-OE1 3.47Å; V232-L256 HydrophobicContact CG1-CD1 3.97Å; V232-A259 HydrophobicContact CG1-CB 3.52Å
233F97.8Very high94.9Very high0 Ų040.9 Ų40.90%024%0.236CC..Hα-helixtrans-59.6-38.5179-164.4-101.4000113.1L179 V181 F186 L201 V224 A225 I228 S229 A235 I236 L237 L263L179-F233 HydrophobicContact CD1-CE1 4.2Å; L179-F233 HydrophobicContact CD1-CZ 3.87Å; V181-F233 HydrophobicContact CB-CB 4.45Å; V181-F233 HydrophobicContact CB-CD1 4.2Å; V181-F233 HydrophobicContact CB-CD2 4.47Å; V181-F233 HydrophobicContact CB-CG 4.12Å; V181-F233 HydrophobicContact CG1-CB 3.96Å; V181-F233 HydrophobicContact CG1-CD2 4.09Å; V181-F233 HydrophobicContact CG1-CG 3.94Å; V181-F233 HydrophobicContact CG2-CD1 3.76Å; V181-F233 HydrophobicContact CG2-CD2 3.92Å; V181-F233 HydrophobicContact CG2-CE1 3.72Å; V181-F233 HydrophobicContact CG2-CE2 3.89Å; V181-F233 HydrophobicContact CG2-CG 3.86Å; V181-F233 HydrophobicContact CG2-CZ 3.79Å; F186-F233 HydrophobicContact CB-CE1 4.3Å; F186-F233 AromaticContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CE1 4.32Å; F186-F233 AromaticContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CE1 4.15Å; F186-F233 AromaticContact CE1-CD1 3.96Å; F186-F233 HydrophobicContact CE1-CD1 3.96Å; F186-F233 AromaticContact CE2-CD1 3.89Å; F186-F233 HydrophobicContact CE2-CD1 3.89Å; F186-F233 AromaticContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CE1 4.01Å; F186-F233 HydrophobicContact CZ-CB 4.39Å; F186-F233 AromaticContact CZ-CD1 3.95Å; F186-F233 HydrophobicContact CZ-CD1 3.95Å; L201-F233 HydrophobicContact CD1-CE2 3.9Å; L201-F233 HydrophobicContact CD1-CZ 3.91Å; V224-F233 HydrophobicContact CG2-CZ 4.31Å; A225-F233 HydrophobicContact CB-CD2 3.86Å; A225-F233 HydrophobicContact CB-CE2 3.83Å; I228-F233 HydrophobicContact CG2-CB 4.34Å; S229-F233 PolarHBondContact O-N 3.31Å; F233-A235 VanDerWaalsContact C-N 3.34Å; F233-A235 PolarHBondContact O-N 2.95Å; F233-I236 WeakPolarHBondContact O-CB 3.35Å; F233-I236 PolarHBondContact O-N 3.32Å; F233-L237 HydrophobicContact CD1-CD1 4.08Å; F233-L237 HydrophobicContact CD1-CG 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.88Å; F233-L237 HydrophobicContact CE1-CD2 4.02Å; F233-L237 HydrophobicContact CE1-CG 3.96Å; F233-L237 HydrophobicContact CZ-CD2 4.28Å; F233-L237 PolarHBondContact O-N 2.99Å; F233-L263 HydrophobicContact CE2-CD1 4.44Å
234R96.1Very high95.1Very high80 Ų8036.1 Ų36.130%0.30221%0.214SC..Hα-helixtrans-55.8-45171.9173.1165.668.3-97.3-2.7112.7Y154 F186 S230 T231 V232 I236 L237Y154-R234 WeakPolarHBondContact OH-CG 2.99Å; F186-R234 HydrophobicContact CE1-CB 4.27Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 3.21Å; S230-R234 PolarHBondContact O-NH1 2.64Å; T231-R234 PolarHBondContact OG1-NH1 3.03Å; T231-R234 PolarHBondContact OG1-NH2 3.47Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 2.81Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.87Å; R234-L237 PolarHBondContact O-N 3.4Å
235A96.5Very high95.3Very high7 Ų735.3 Ų35.36%0.05821%0.21CC..Hα-helixtrans-71-27.717900000112.9V232 F233 D238 I245 P248V232-A235 PolarHBondContact O-N 2.88Å; F233-A235 VanDerWaalsContact C-N 3.34Å; F233-A235 PolarHBondContact O-N 2.95Å; A235-D238 PolarHBondContact O-N 3.07Å; A235-I245 HydrophobicContact CB-CG2 3.93Å; A235-P248 HydrophobicContact CB-CG 3.85Å
236I97.1Very high95.6Very high0 Ų043.2 Ų43.20%024%0.239CC..Hα-helixtrans-70.7-34.4172.9-73.2153.7000111.7I228 V232 F233 R234 D238 Y239 Y240 I245 A259 L263 I265I228-I236 HydrophobicContact CG2-CD1 4.42Å; V232-I236 HydrophobicContact CG1-CD1 3.59Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-I236 VanDerWaalsContact O-N 3.08Å; F233-I236 WeakPolarHBondContact O-CB 3.35Å; F233-I236 PolarHBondContact O-N 3.32Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.87Å; I236-D238 PolarHBondContact O-N 2.82Å; I236-Y239 WeakPolarHBondContact O-CB 3.35Å; I236-Y239 PolarHBondContact O-N 2.98Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; I236-Y240 HydrophobicContact CG2-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CE2 3.78Å; I236-Y240 WeakPolarHBondContact O-CD2 3.18Å; I236-I245 HydrophobicContact CG1-CD1 3.9Å; I236-A259 HydrophobicContact CD1-CB 4.15Å; I236-L263 HydrophobicContact CD1-CD1 3.9Å; I236-L263 HydrophobicContact CG2-CD1 3.79Å; I236-I265 HydrophobicContact CG1-CD1 4.36Å; I236-I265 HydrophobicContact CG2-CD1 3.64Å
237L95.6Very high95.9Very high0 Ų036.1 Ų36.10%021%0.208CC..Hα-helixtrans-64.4-28.4173.9-68.9176.2000113.1Y154 F186 V188 I192 F193 F233 R234 Y239Y154-L237 HydrophobicContact CD1-CB 4.2Å; Y154-L237 HydrophobicContact CD1-CD1 4.28Å; Y154-L237 HydrophobicContact CD2-CD1 3.92Å; Y154-L237 HydrophobicContact CE1-CB 3.92Å; Y154-L237 HydrophobicContact CE1-CD1 3.92Å; Y154-L237 HydrophobicContact CE2-CD1 3.55Å; Y154-L237 HydrophobicContact CG-CD1 4.29Å; F186-L237 HydrophobicContact CB-CD1 4.15Å; F186-L237 HydrophobicContact CD1-CD1 3.52Å; F186-L237 HydrophobicContact CE1-CD1 4.31Å; F186-L237 HydrophobicContact CG-CD1 4.15Å; V188-L237 HydrophobicContact CG1-CD1 4.06Å; V188-L237 HydrophobicContact CG1-CD2 4.15Å; I192-L237 HydrophobicContact CD1-CD2 4.33Å; F193-L237 HydrophobicContact CE1-CD2 4.01Å; F193-L237 HydrophobicContact CZ-CD2 4.02Å; F233-L237 HydrophobicContact CD1-CD1 4.08Å; F233-L237 HydrophobicContact CD1-CG 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.88Å; F233-L237 HydrophobicContact CE1-CD2 4.02Å; F233-L237 HydrophobicContact CE1-CG 3.96Å; F233-L237 HydrophobicContact CZ-CD2 4.28Å; F233-L237 PolarHBondContact O-N 2.99Å; R234-L237 PolarHBondContact O-N 3.4Å; L237-Y239 VanDerWaalsContact C-N 3.34Å
238D93.6Very high96Very high54 Ų5433.4 Ų33.429%0.28918%0.175SC..Hα-helixtrans-72.1-25.1172.6-76.9-24.1000112.9A235 I236 K241 S242A235-D238 PolarHBondContact O-N 3.07Å; I236-D238 PolarHBondContact O-N 2.82Å; D238-K241 PolarHBondContact O-N 3.06Å; D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.85Å; D238-S242 PolarHBondContact O-OG 3.01Å
239Y96.5Very high95.8Very high13 Ų1337.9 Ų37.95%0.05120%0.199CC..Hα-helixtrans-65.7-40.5173.2166.5-95.2000112Q196 T199 I236 L237 K241 S242 G243 I245 I265 T271Q196-Y239 HydrophobicContact CB-CE1 4.07Å; Q196-Y239 HydrophobicContact CG-CD1 4.24Å; Q196-Y239 HydrophobicContact CG-CE1 3.57Å; Q196-Y239 PolarHBondContact OE1-OH 2.73Å; T199-Y239 HydrophobicContact CG2-CE1 4.2Å; I236-Y239 WeakPolarHBondContact O-CB 3.35Å; I236-Y239 PolarHBondContact O-N 2.98Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; L237-Y239 VanDerWaalsContact C-N 3.34Å; Y239-K241 PolarHBondContact O-N 2.62Å; Y239-S242 PolarHBondContact O-N 2.64Å; Y239-G243 WeakPolarHBondContact CD2-O 3.43Å; Y239-G243 WeakPolarHBondContact CE2-O 3.14Å; Y239-G243 WeakPolarHBondContact O-CA 3.28Å; Y239-G243 PolarHBondContact O-N 3.42Å; Y239-I245 HydrophobicContact CD2-CG1 4.21Å; Y239-I245 HydrophobicContact CG-CG1 4.1Å; Y239-I265 HydrophobicContact CD1-CD1 4.27Å; Y239-I265 HydrophobicContact CD1-CG1 4.49Å; Y239-I265 HydrophobicContact CD1-CG2 4.22Å; Y239-I265 HydrophobicContact CD2-CG2 4.44Å; Y239-I265 HydrophobicContact CE1-CD1 4.48Å; Y239-I265 HydrophobicContact CE1-CG1 4.2Å; Y239-I265 HydrophobicContact CE1-CG2 3.84Å; Y239-I265 HydrophobicContact CE2-CG2 4.1Å; Y239-T271 HydrophobicContact CD2-CG2 3.69Å; Y239-T271 HydrophobicContact CE2-CG2 3.48Å; Y239-T271 VanDerWaalsContact CE2-CG2 3.48Å
240Y94.8Very high95.7Very high6 Ų640.6 Ų40.62%0.02423%0.231CC..Hα-helixtrans-63.9-20.9173.8-66.9-79000113.4F193 Q196 T199 L201 I236F193-Y240 AromaticContact CD1-CD1 3.64Å; F193-Y240 HydrophobicContact CD1-CD1 3.64Å; F193-Y240 AromaticContact CD1-CD2 4Å; F193-Y240 HydrophobicContact CD1-CD2 4Å; F193-Y240 AromaticContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE2 4.12Å; F193-Y240 AromaticContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CE1-CD1 4.39Å; F193-Y240 AromaticContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CE2 4.08Å; F193-Y240 HydrophobicContact CE1-CG 4.11Å; Q196-Y240 HydrophobicContact CB-CD1 3.8Å; Q196-Y240 HydrophobicContact CB-CE1 3.76Å; Q196-Y240 HydrophobicContact CG-CD1 4.16Å; Q196-Y240 HydrophobicContact CG-CE1 4.49Å; T199-Y240 WeakPolarHBondContact CB-OH 3.41Å; T199-Y240 HydrophobicContact CG2-CE1 4.23Å; T199-Y240 WeakPolarHBondContact OG1-CE1 3.37Å; T199-Y240 PolarHBondContact OG1-OH 2.88Å; T199-Y240 VanDerWaalsContact OG1-OH 3.08Å; L201-Y240 HydrophobicContact CB-CE1 4.47Å; L201-Y240 HydrophobicContact CD1-CE2 3.94Å; I236-Y240 HydrophobicContact CG2-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CE2 3.78Å; I236-Y240 WeakPolarHBondContact O-CD2 3.18Å
241K90.8Very high95.7Very high84 Ų8441.3 Ų41.337%0.36523%0.233SC..Hα-helixtrans-91.7-27.5174.9-61.9-171.8-175.7-169.80114.2D155 D238 Y239D155-K241 PolarHBondContact O-NZ 2.92Å; D238-K241 PolarHBondContact O-N 3.06Å; Y239-K241 PolarHBondContact O-N 2.62Å
242S93.1Very high95.7Very high70 Ų7042 Ų4249%0.4924%0.24SC..Hα-helixtrans-133.9-9.2-164.669.90000116.3D238 Y239 I244D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.85Å; D238-S242 PolarHBondContact O-OG 3.01Å; Y239-S242 PolarHBondContact O-N 2.64Å; S242-I244 PolarHBondContact O-N 2.92Å; S242-I244 PolarHBondContact OG-N 3.3Å; S242-I244 PolarHBondContact OG-O 3.41Å
243G94.9Very high95.7Very high26 Ų2642.4 Ų42.427%0.26824%0.242SC..SBendtrans71.17.9-169.900000114.4Y239Y239-G243 WeakPolarHBondContact CD2-O 3.43Å; Y239-G243 WeakPolarHBondContact CE2-O 3.14Å; Y239-G243 WeakPolarHBondContact O-CA 3.28Å; Y239-G243 PolarHBondContact O-N 3.42Å
244I96.3Very high95.7Very high46 Ų4645 Ų4524%0.23626%0.259CS..  trans-131.6128.8-174.2-62.7176.7000111.2S242 R246 T271 K273S242-I244 PolarHBondContact O-N 2.92Å; S242-I244 PolarHBondContact OG-N 3.3Å; S242-I244 PolarHBondContact OG-O 3.41Å; I244-R246 HydrophobicContact CG2-CG 4.24Å; I244-T271 CarbonylContact C-O 3.55Å; I244-T271 WeakPolarHBondContact CA-O 3.48Å; I244-K273 HydrophobicContact CG2-CG 3.56Å
245I97.7Very high95.8Very high0 Ų044 Ų440%026%0.258CS..EExtended strand (participates in β ladder)trans-91.9128.2162.5-54.7175.2000108.9A235 I236 Y239 L256 C260 I265 T271 I272 K273A235-I245 HydrophobicContact CB-CG2 3.93Å; I236-I245 HydrophobicContact CG1-CD1 3.9Å; Y239-I245 HydrophobicContact CD2-CG1 4.21Å; Y239-I245 HydrophobicContact CG-CG1 4.1Å; I245-L256 HydrophobicContact CD1-CD1 4.35Å; I245-L256 HydrophobicContact CG2-CD1 3.95Å; I245-L256 HydrophobicContact CG2-CD2 4.06Å; I245-C260 VanDerWaalsContact CD1-SG 3.57Å; I245-I265 HydrophobicContact CD1-CG2 4.15Å; I245-T271 PolarHBondContact N-O 2.81Å; I245-I272 HydrophobicContact CB-CD1 4.18Å; I245-I272 HydrophobicContact CD1-CD1 4.08Å; I245-K273 PolarHBondContact O-N 3.04Å
246R97.2Very high95.8Very high168 Ų16843.7 Ų43.763%0.63426%0.255SS*.EExtended strand (participates in β ladder)trans-100.4110.7168-62.4178-175.1-85.3-3108I244 P248 K273I244-R246 HydrophobicContact CG2-CG 4.24Å; R246-P248 WeakPolarHBondContact O-CD 3.31Å; R246-K273 CarbonylContact C-O 3.6Å; R246-K273 WeakPolarHBondContact CA-O 3.49Å
247C97.3Very high95.9Very high21 Ų2145.5 Ų45.514%0.14226%0.262CS..PPolyproline II helixtrans-58.1122.7-179.6-172.40000110.1I253 L256 K273 C274C247-I253 HydrophobicContact CB-CD1 4.15Å; C247-L256 HydrophobicContact CB-CD2 3.74Å; C247-K273 PolarHBondContact N-O 2.86Å; C247-C274 HydrophobicContact CB-CB 4.02Å
248P96.3Very high95.9Very high27 Ų2752.1 Ų52.118%0.17529%0.293CS..PPolyproline II helixtrans-68.3156.8-177.9-19.231.6000113.5T231 A235 R246 G250 I251T231-P248 HydrophobicContact CG2-CB 3.68Å; T231-P248 HydrophobicContact CG2-CG 3.85Å; A235-P248 HydrophobicContact CB-CG 3.85Å; R246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-G250 PolarHBondContact O-N 3.44Å; P248-I251 HydrophobicContact CB-CB 4.43Å; P248-I251 HydrophobicContact CB-CG1 3.78Å; P248-I251 HydrophobicContact CG-CG1 3.97Å; P248-I251 PolarHBondContact O-N 3.28Å
249D93.7Very high96.2Very high107 Ų10749.8 Ų49.857%0.57228%0.281SS*.THydrogen-bonded Turntrans-66127.4174.9-74.8-7.3000111.1R275D249-R275 IonicContact OD1-CZ 3.29Å; D249-R275 IonicContact OD1-NE 3.79Å; D249-R275 PolarHBondContact OD1-NE 3.35Å; D249-R275 IonicContact OD1-NH1 3.19Å; D249-R275 PolarHBondContact OD1-NH1 3.02Å; D249-R275 IonicContact OD1-NH2 3.1Å; D249-R275 PolarHBondContact OD1-NH2 3.07Å; D249-R275 IonicContact OD2-CZ 2.67Å; D249-R275 IonicContact OD2-NH1 2.77Å; D249-R275 PolarHBondContact OD2-NH1 3.4Å; D249-R275 IonicContact OD2-NH2 3.79Å; D249-R275 PolarHBondContact OD2-NH2 3.13Å
250G93.5Very high96.2Very high85 Ų8549.1 Ų49.188%0.87628%0.278SS*.THydrogen-bonded Turntrans93.1-12.4-178.300000114.9P248P248-G250 PolarHBondContact O-N 3.44Å
251I96.9Very high96.3Very high32 Ų3252.8 Ų52.816%0.16430%0.298CS..  trans-82.5142.2174.6-62.8-55.4000110.1T231 V232 P248 L256T231-I251 HydrophobicContact CG2-CD1 3.96Å; T231-I251 HydrophobicContact CG2-CG1 3.88Å; V232-I251 HydrophobicContact CG2-CB 4.47Å; V232-I251 HydrophobicContact CG2-CD1 3.89Å; V232-I251 HydrophobicContact CG2-CG1 4.04Å; V232-I251 HydrophobicContact CG2-CG2 3.59Å; P248-I251 HydrophobicContact CB-CB 4.43Å; P248-I251 HydrophobicContact CB-CG1 3.78Å; P248-I251 HydrophobicContact CG-CG1 3.97Å; P248-I251 PolarHBondContact O-N 3.28Å; I251-L256 HydrophobicContact CG2-CB 4.4Å
252S97.2Very high96.6Very high57 Ų5753.4 Ų53.440%0.39930%0.299SS..  trans-86.4150.5175.879.40000111.8E255 L256S252-E255 PolarHBondContact O-N 2.94Å; S252-E255 WeakPolarHBondContact OG-CB 3.29Å; S252-E255 PolarHBondContact OG-N 3.23Å; S252-E255 VanDerWaalsContact OG-N 3.1Å; S252-L256 PolarHBondContact O-N 3.39Å; S252-L256 VanDerWaalsContact O-N 3.11Å
253I97.6Very high96.8Very high7 Ų750 Ų504%0.03628%0.275CS..Hα-helixtrans-65.1-37.9176.3-53.4-58.6000112.4C247 L256 R257 F267 C274 A279 E283C247-I253 HydrophobicContact CB-CD1 4.15Å; I253-L256 PolarHBondContact O-N 2.87Å; I253-R257 WeakPolarHBondContact O-CB 3.44Å; I253-R257 PolarHBondContact O-N 2.7Å; I253-F267 HydrophobicContact CG2-CE2 4.43Å; I253-F267 HydrophobicContact CG2-CZ 3.67Å; I253-C274 HydrophobicContact CD1-CB 3.56Å; I253-A279 HydrophobicContact CB-CB 3.82Å; I253-A279 HydrophobicContact CG1-CB 3.56Å; I253-E283 HydrophobicContact CG2-CG 3.96Å
254P97Very high96.9Very high54 Ų5452.2 Ų52.235%0.35129%0.286SS..Hα-helixtrans-60.1-43.9170.7-27.236.5000114.2L256 R257 E258P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 3.31Å; P254-R257 WeakPolarHBondContact O-CA 3.38Å; P254-R257 WeakPolarHBondContact O-CB 3.33Å; P254-R257 PolarHBondContact O-N 3.45Å; P254-E258 WeakPolarHBondContact O-CG 3.48Å; P254-E258 PolarHBondContact O-N 3.22Å
255E97.4Very high96.9Very high61 Ų6150.2 Ų50.229%0.28528%0.276SS..Hα-helixtrans-58.3-42.9175179.6-167170.100111.2S229 V232 S252 R257 A259S229-E255 PolarHBondContact OG-OE1 3.37Å; V232-E255 HydrophobicContact CG2-CG 4.23Å; V232-E255 WeakPolarHBondContact CG2-OE1 3.47Å; S252-E255 PolarHBondContact O-N 2.94Å; S252-E255 WeakPolarHBondContact OG-CB 3.29Å; S252-E255 PolarHBondContact OG-N 3.23Å; S252-E255 VanDerWaalsContact OG-N 3.1Å; E255-R257 VanDerWaalsContact C-N 3.34Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 2.86Å; E255-A259 VanDerWaalsContact O-N 3.15Å
256L97.9Very high96.8Very high0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-68.1-34175.4178.859.2000112.2V232 I245 C247 I251 S252 I253 P254 C260 F267 I272V232-L256 HydrophobicContact CG1-CD1 3.97Å; I245-L256 HydrophobicContact CD1-CD1 4.35Å; I245-L256 HydrophobicContact CG2-CD1 3.95Å; I245-L256 HydrophobicContact CG2-CD2 4.06Å; C247-L256 HydrophobicContact CB-CD2 3.74Å; I251-L256 HydrophobicContact CG2-CB 4.4Å; S252-L256 PolarHBondContact O-N 3.39Å; S252-L256 VanDerWaalsContact O-N 3.11Å; I253-L256 PolarHBondContact O-N 2.87Å; P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 3.31Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 3.35Å; L256-F267 HydrophobicContact CG-CE2 4.49Å; L256-I272 HydrophobicContact CD2-CD1 4.34Å; L256-I272 HydrophobicContact CD2-CG2 4.29Å
257R97.8Very high96.8Very high37 Ų3746.8 Ų46.814%0.1428%0.275CS..Hα-helixtrans-64.2-51.8175.8172.356.6-176.4-97.86.4111.1I253 P254 E255 A259 C260 D261 F267 D287I253-R257 WeakPolarHBondContact O-CB 3.44Å; I253-R257 PolarHBondContact O-N 2.7Å; P254-R257 WeakPolarHBondContact O-CA 3.38Å; P254-R257 WeakPolarHBondContact O-CB 3.33Å; P254-R257 PolarHBondContact O-N 3.45Å; E255-R257 VanDerWaalsContact C-N 3.34Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 2.85Å; R257-C260 WeakPolarHBondContact O-CB 3.47Å; R257-C260 PolarHBondContact O-N 3.49Å; R257-D261 IonicContact CZ-OD1 2.69Å; R257-D261 IonicContact CZ-OD2 2.71Å; R257-D261 VanDerWaalsContact NE-CG 3.26Å; R257-D261 IonicContact NE-OD1 2.73Å; R257-D261 PolarHBondContact NE-OD1 3.24Å; R257-D261 IonicContact NE-OD2 3.61Å; R257-D261 PolarHBondContact NE-OD2 2.71Å; R257-D261 IonicContact NH2-OD1 3.48Å; R257-D261 IonicContact NH2-OD2 3.73Å; R257-D261 PolarHBondContact O-N 3.31Å; R257-F267 HydrophobicContact CB-CD2 4.09Å; R257-F267 HydrophobicContact CB-CE2 3.82Å; R257-F267 HydrophobicContact CB-CZ 4.13Å; R257-F267 VanDerWaalsContact CD-CG 3.42Å; R257-F267 HydrophobicContact CG-CD2 4.5Å; R257-D287 IonicContact CZ-OD1 3.05Å; R257-D287 IonicContact CZ-OD2 3.16Å; R257-D287 IonicContact NH1-OD1 3.29Å; R257-D287 PolarHBondContact NH1-OD1 3.31Å; R257-D287 IonicContact NH1-OD2 2.71Å; R257-D287 PolarHBondContact NH1-OD2 2.98Å; R257-D287 IonicContact NH2-OD1 2.69Å; R257-D287 PolarHBondContact NH2-OD1 3.02Å; R257-D287 IonicContact NH2-OD2 2.98Å
258E97.5Very high96.6Very high140 Ų14047.7 Ų47.765%0.65428%0.278SS*.Hα-helixtrans-55.2-42.3176.6-70.2174.9-178.800111.5P254 C260 D261 Y262P254-E258 WeakPolarHBondContact O-CG 3.48Å; P254-E258 PolarHBondContact O-N 3.22Å; E258-C260 PolarHBondContact O-N 3.19Å; E258-D261 PolarHBondContact O-N 3.44Å; E258-Y262 WeakPolarHBondContact O-CB 3.27Å; E258-Y262 PolarHBondContact O-N 3.48Å
259A98Very high96.4Very high4 Ų454.8 Ų54.83%0.03330%0.303CS..Hα-helixtrans-66.6-33.7175.700000114I228 V232 I236 E255 R257 L263I228-A259 HydrophobicContact CB-CB 4.49Å; I228-A259 HydrophobicContact CD1-CB 3.78Å; I228-A259 HydrophobicContact CG1-CB 3.85Å; I228-A259 HydrophobicContact CG2-CB 3.9Å; V232-A259 HydrophobicContact CG1-CB 3.52Å; I236-A259 HydrophobicContact CD1-CB 4.15Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 2.86Å; E255-A259 VanDerWaalsContact O-N 3.15Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 2.85Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.07Å
260C97.7Very high96.5Very high0 Ų052.6 Ų52.60%030%0.296CS..Hα-helixtrans-72-45.3174.9-68.40000111.5I245 L256 R257 E258 L263 C264 I265 F267I245-C260 VanDerWaalsContact CD1-SG 3.57Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 3.35Å; R257-C260 WeakPolarHBondContact O-CB 3.47Å; R257-C260 PolarHBondContact O-N 3.49Å; E258-C260 PolarHBondContact O-N 3.19Å; C260-L263 CarbonylContact O-C 3.55Å; C260-L263 PolarHBondContact O-N 2.81Å; C260-C264 PolarHBondContact O-N 3.3Å; C260-I265 HydrophobicContact CB-CB 4.24Å; C260-I265 PolarHBondContact O-N 2.98Å; C260-F267 HydrophobicContact CB-CB 4.39Å; C260-F267 HydrophobicContact CB-CD2 4.1Å
261D96.9Very high96.6Very high83 Ų8349 Ų4944%0.44426%0.257SS..Hα-helixtrans-60.9-46.4178-71.3-21000110.8R257 E258 L263 C264R257-D261 IonicContact CZ-OD1 2.69Å; R257-D261 IonicContact CZ-OD2 2.71Å; R257-D261 VanDerWaalsContact NE-CG 3.26Å; R257-D261 IonicContact NE-OD1 2.73Å; R257-D261 PolarHBondContact NE-OD1 3.24Å; R257-D261 IonicContact NE-OD2 3.61Å; R257-D261 PolarHBondContact NE-OD2 2.71Å; R257-D261 IonicContact NH2-OD1 3.48Å; R257-D261 IonicContact NH2-OD2 3.73Å; R257-D261 PolarHBondContact O-N 3.31Å; E258-D261 PolarHBondContact O-N 3.44Å; D261-L263 PolarHBondContact O-N 2.82Å; D261-C264 PolarHBondContact O-N 2.95Å
262Y97.1Very high96.6Very high96 Ų9647.6 Ų47.638%0.37625%0.249SC..Hα-helixtrans-57-47.8175.3-180-77000112.1M200 E226 I228 E258 C264M200-Y262 HydrophobicContact CE-CD1 3.98Å; M200-Y262 HydrophobicContact CE-CE1 3.74Å; M200-Y262 WeakPolarHBondContact CE-O 3.48Å; M200-Y262 HydrophobicContact SD-CD1 4.19Å; M200-Y262 HydrophobicContact SD-CE1 3.69Å; E226-Y262 PolarHBondContact N-OH 2.9Å; I228-Y262 HydrophobicContact CD1-CD1 3.82Å; I228-Y262 HydrophobicContact CD1-CE1 4.47Å; I228-Y262 HydrophobicContact CD1-CG 4.19Å; E258-Y262 WeakPolarHBondContact O-CB 3.27Å; E258-Y262 PolarHBondContact O-N 3.48Å; Y262-C264 PolarHBondContact O-N 2.92Å
263L96.5Very high96.6Very high0 Ų048.6 Ų48.60%025%0.247CC..THydrogen-bonded Turntrans-82.84.3-178.3-65.6176.9000114M200 L201 A225 I228 F233 I236 A259 C260 D261 I265M200-L263 HydrophobicContact CB-CD2 4.33Å; M200-L263 WeakPolarHBondContact CB-O 3.48Å; M200-L263 PolarHBondContact N-O 3.36Å; M200-L263 HydrophobicContact SD-CD2 3.86Å; L201-L263 HydrophobicContact CG-CD2 4.32Å; A225-L263 HydrophobicContact CB-CD2 4.32Å; I228-L263 HydrophobicContact CD1-CD1 3.91Å; I228-L263 HydrophobicContact CD1-CD2 4.35Å; I228-L263 HydrophobicContact CD1-CG 3.79Å; F233-L263 HydrophobicContact CE2-CD1 4.44Å; I236-L263 HydrophobicContact CD1-CD1 3.9Å; I236-L263 HydrophobicContact CG2-CD1 3.79Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.07Å; C260-L263 CarbonylContact O-C 3.55Å; C260-L263 PolarHBondContact O-N 2.81Å; D261-L263 PolarHBondContact O-N 2.82Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 HydrophobicContact CB-CD1 3.94Å; L263-I265 HydrophobicContact CB-CG1 4.1Å; L263-I265 HydrophobicContact CD1-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3Å
264C96.5Very high96.5Very high71 Ų7150 Ų5048%0.4826%0.257SS..THydrogen-bonded Turntrans54.744.3-175.1-50.20000112.9C260 D261 Y262C260-C264 PolarHBondContact O-N 3.3Å; D261-C264 PolarHBondContact O-N 2.95Å; Y262-C264 PolarHBondContact O-N 2.92Å
265I97.1Very high96.4Very high5 Ų557.1 Ų57.13%0.02628%0.277CS..  trans-99.6133.4173.8-62.2169.5000108.8T199 I236 Y239 I245 C260 L263 F267 T271T199-I265 HydrophobicContact CG2-CG1 3.77Å; I236-I265 HydrophobicContact CG1-CD1 4.36Å; I236-I265 HydrophobicContact CG2-CD1 3.64Å; Y239-I265 HydrophobicContact CD1-CD1 4.27Å; Y239-I265 HydrophobicContact CD1-CG1 4.49Å; Y239-I265 HydrophobicContact CD1-CG2 4.22Å; Y239-I265 HydrophobicContact CD2-CG2 4.44Å; Y239-I265 HydrophobicContact CE1-CD1 4.48Å; Y239-I265 HydrophobicContact CE1-CG1 4.2Å; Y239-I265 HydrophobicContact CE1-CG2 3.84Å; Y239-I265 HydrophobicContact CE2-CG2 4.1Å; I245-I265 HydrophobicContact CD1-CG2 4.15Å; C260-I265 HydrophobicContact CB-CB 4.24Å; C260-I265 PolarHBondContact O-N 2.98Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 HydrophobicContact CB-CD1 3.94Å; L263-I265 HydrophobicContact CB-CG1 4.1Å; L263-I265 HydrophobicContact CD1-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3Å; I265-F267 PolarHBondContact O-N 2.63Å; I265-T271 HydrophobicContact CG2-CG2 4.18Å
266S95.1Very high96.3Very high76 Ų7658.4 Ų58.453%0.53129%0.285SS..  trans-62.4118.2178.5-59.20000111.9D268 T271S266-D268 WeakPolarHBondContact CB-OD2 3.37Å; S266-D268 PolarHBondContact O-N 3.31Å; S266-T271 WeakPolarHBondContact O-CB 3.38Å; S266-T271 WeakPolarHBondContact O-CG2 3.45Å; S266-T271 PolarHBondContact O-OG1 3.01Å
267F96.9Very high96.2Very high20 Ų2063.5 Ų63.59%0.08831%0.312CS..  trans-90.792176.1-168.3-86.8000110.4I253 L256 R257 C260 I265 I272 L280 E283 L284I253-F267 HydrophobicContact CG2-CE2 4.43Å; I253-F267 HydrophobicContact CG2-CZ 3.67Å; L256-F267 HydrophobicContact CG-CE2 4.49Å; R257-F267 HydrophobicContact CB-CD2 4.09Å; R257-F267 HydrophobicContact CB-CE2 3.82Å; R257-F267 HydrophobicContact CB-CZ 4.13Å; R257-F267 VanDerWaalsContact CD-CG 3.42Å; R257-F267 HydrophobicContact CG-CD2 4.5Å; C260-F267 HydrophobicContact CB-CB 4.39Å; C260-F267 HydrophobicContact CB-CD2 4.1Å; I265-F267 PolarHBondContact O-N 2.63Å; F267-I272 HydrophobicContact CD2-CD1 3.77Å; F267-I272 HydrophobicContact CD2-CG1 3.78Å; F267-I272 HydrophobicContact CE2-CD1 3.94Å; F267-I272 HydrophobicContact CE2-CG1 3.85Å; F267-I272 HydrophobicContact CE2-CG2 4.49Å; F267-I272 HydrophobicContact CG-CG1 4.17Å; F267-I272 HydrophobicContact CZ-CG1 4.28Å; F267-L280 HydrophobicContact CE1-CD1 3.71Å; F267-L280 HydrophobicContact CZ-CD1 3.82Å; F267-E283 HydrophobicContact CE1-CB 3.7Å; F267-E283 HydrophobicContact CE1-CG 4.27Å; F267-E283 HydrophobicContact CZ-CB 4.26Å; F267-E283 HydrophobicContact CZ-CG 4.34Å; F267-L284 HydrophobicContact CD1-CD2 4.1Å; F267-L284 HydrophobicContact CE1-CD2 4.36Å
268D94.5Very high96.2Very high39 Ų3966.2 Ų66.221%0.20934%0.337CS..SBendtrans-144.8168.6-174.870.180000112.7S266 S270 T271 I272S266-D268 WeakPolarHBondContact CB-OD2 3.37Å; S266-D268 PolarHBondContact O-N 3.31Å; D268-S270 PolarHBondContact O-N 2.97Å; D268-S270 VanDerWaalsContact OD1-CA 3.24Å; D268-S270 WeakPolarHBondContact OD1-CA 3.15Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 3.41Å; D268-S270 PolarHBondContact OD1-OG 3.05Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 2.89Å; D268-T271 WeakPolarHBondContact OD2-CB 3.45Å; D268-T271 PolarHBondContact OD2-OG1 3.29Å; D268-I272 WeakPolarHBondContact O-CB 3.41Å; D268-I272 WeakPolarHBondContact O-CG1 3.46Å; D268-I272 PolarHBondContact O-N 3.07Å
269Y92.4Very high96.1Very high177 Ų17760.6 Ų60.669%0.69432%0.315SS*.THydrogen-bonded Turntrans-65.6-21-177.584.1-82.5000114.4K273Y269-K273 PolarHBondContact O-NZ 3.01Å
270S94.6Very high96Very high61 Ų6160.9 Ų60.943%0.42732%0.315SS..THydrogen-bonded Turntrans-80.3-45.217782.30000110D268 K273D268-S270 PolarHBondContact O-N 2.97Å; D268-S270 VanDerWaalsContact OD1-CA 3.24Å; D268-S270 WeakPolarHBondContact OD1-CA 3.15Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 3.41Å; D268-S270 PolarHBondContact OD1-OG 3.05Å; S270-K273 WeakPolarHBondContact O-CE 3.42Å; S270-K273 PolarHBondContact O-NZ 3.5Å
271T95.9Very high96Very high9 Ų964.9 Ų64.96%0.05534%0.335CS..THydrogen-bonded Turntrans-72-46.6178.8-59.30000113.2Y239 I244 I245 I265 S266 D268Y239-T271 HydrophobicContact CD2-CG2 3.69Å; Y239-T271 HydrophobicContact CE2-CG2 3.48Å; Y239-T271 VanDerWaalsContact CE2-CG2 3.48Å; I244-T271 CarbonylContact C-O 3.55Å; I244-T271 WeakPolarHBondContact CA-O 3.48Å; I245-T271 PolarHBondContact N-O 2.81Å; I265-T271 HydrophobicContact CG2-CG2 4.18Å; S266-T271 WeakPolarHBondContact O-CB 3.38Å; S266-T271 WeakPolarHBondContact O-CG2 3.45Å; S266-T271 PolarHBondContact O-OG1 3.01Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 2.89Å; D268-T271 WeakPolarHBondContact OD2-CB 3.45Å; D268-T271 PolarHBondContact OD2-OG1 3.29Å
272I97.4Very high96Very high2 Ų265 Ų651%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-94.4133-172.6-52.2-62.5000111.1I245 L256 F267 D268 L280I245-I272 HydrophobicContact CB-CD1 4.18Å; I245-I272 HydrophobicContact CD1-CD1 4.08Å; L256-I272 HydrophobicContact CD2-CD1 4.34Å; L256-I272 HydrophobicContact CD2-CG2 4.29Å; F267-I272 HydrophobicContact CD2-CD1 3.77Å; F267-I272 HydrophobicContact CD2-CG1 3.78Å; F267-I272 HydrophobicContact CE2-CD1 3.94Å; F267-I272 HydrophobicContact CE2-CG1 3.85Å; F267-I272 HydrophobicContact CE2-CG2 4.49Å; F267-I272 HydrophobicContact CG-CG1 4.17Å; F267-I272 HydrophobicContact CZ-CG1 4.28Å; D268-I272 WeakPolarHBondContact O-CB 3.41Å; D268-I272 WeakPolarHBondContact O-CG1 3.46Å; D268-I272 PolarHBondContact O-N 3.07Å; I272-L280 HydrophobicContact CB-CD1 4.28Å; I272-L280 HydrophobicContact CG2-CD1 4.02Å
273K96.2Very high96Very high78 Ų7861.7 Ų61.734%0.33932%0.321SS..EExtended strand (participates in β ladder)trans-125.6127.6165.9-48.1-62.7160.4-157.60109.9I244 I245 R246 C247 Y269 S270I244-K273 HydrophobicContact CG2-CG 3.56Å; I245-K273 PolarHBondContact O-N 3.04Å; R246-K273 CarbonylContact C-O 3.6Å; R246-K273 WeakPolarHBondContact CA-O 3.49Å; C247-K273 PolarHBondContact N-O 2.86Å; Y269-K273 PolarHBondContact O-NZ 3.01Å; S270-K273 WeakPolarHBondContact O-CE 3.42Å; S270-K273 PolarHBondContact O-NZ 3.5Å
274C95.8Very high96.1Very high38 Ų3864 Ų6426%0.25733%0.333SS..  trans-134.2173.3-17961.50000111.8C247 I253 D276C247-C274 HydrophobicContact CB-CB 4.02Å; I253-C274 HydrophobicContact CD1-CB 3.56Å; C274-D276 PolarHBondContact SG-O 3.15Å
275R95.2Very high96.1Very high203 Ų20363.8 Ų63.877%0.76633%0.332SS*.SBendtrans-91.2-37.4165.1-63.5-174.4-172.4153.915.6112.1D249 L277D249-R275 IonicContact OD1-CZ 3.29Å; D249-R275 IonicContact OD1-NE 3.79Å; D249-R275 PolarHBondContact OD1-NE 3.35Å; D249-R275 IonicContact OD1-NH1 3.19Å; D249-R275 PolarHBondContact OD1-NH1 3.02Å; D249-R275 IonicContact OD1-NH2 3.1Å; D249-R275 PolarHBondContact OD1-NH2 3.07Å; D249-R275 IonicContact OD2-CZ 2.67Å; D249-R275 IonicContact OD2-NH1 2.77Å; D249-R275 PolarHBondContact OD2-NH1 3.4Å; D249-R275 IonicContact OD2-NH2 3.79Å; D249-R275 PolarHBondContact OD2-NH2 3.13Å; R275-L277 PolarHBondContact O-N 3.45Å; R275-L277 VanDerWaalsContact O-N 3.17Å
276D95.7Very high96.2Very high87 Ų8765.1 Ų65.147%0.46534%0.339SS..  trans-82.890.3175.3-167.6-18.1000110.8C274 S278 A279 L280C274-D276 PolarHBondContact SG-O 3.15Å; D276-S278 VanDerWaalsContact C-N 3.27Å; D276-S278 WeakPolarHBondContact OD1-CA 3.4Å; D276-S278 VanDerWaalsContact OD1-CB 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.33Å; D276-S278 PolarHBondContact OD1-N 3.38Å; D276-A279 HydrophobicContact CB-CB 4.27Å; D276-A279 PolarHBondContact OD1-N 3.36Å; D276-L280 PolarHBondContact O-N 3.31Å
277L95.6Very high96.3Very high107 Ų10763.2 Ų63.256%0.5632%0.323SS*.Hα-helixtrans-67.4-27.3172.7-17661.1000112.1R275 L280 M281R275-L277 PolarHBondContact O-N 3.45Å; R275-L277 VanDerWaalsContact O-N 3.17Å; L277-L280 PolarHBondContact O-N 3.21Å; L277-M281 HydrophobicContact CD1-CE 3.94Å; L277-M281 HydrophobicContact CD1-CG 4.02Å; L277-M281 HydrophobicContact CD1-SD 4.42Å; L277-M281 HydrophobicContact CG-CG 4.09Å; L277-M281 WeakPolarHBondContact O-CB 3.33Å; L277-M281 WeakPolarHBondContact O-CG 3.43Å; L277-M281 PolarHBondContact O-N 2.8Å
278S96.7Very high96.3Very high94 Ų9463.7 Ų63.766%0.65733%0.334SS*.Hα-helixtrans-68.7-43.5-178.7-1650000111D276 M281 H282D276-S278 VanDerWaalsContact C-N 3.27Å; D276-S278 WeakPolarHBondContact OD1-CA 3.4Å; D276-S278 VanDerWaalsContact OD1-CB 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.33Å; D276-S278 PolarHBondContact OD1-N 3.38Å; S278-M281 PolarHBondContact O-N 2.9Å; S278-H282 PolarHBondContact O-N 3.1Å
279A96.4Very high96.5Very high23 Ų2361.9 Ų61.919%0.1932%0.324CS..Hα-helixtrans-69-37.8175.800000112.1I253 D276 H282 E283I253-A279 HydrophobicContact CB-CB 3.82Å; I253-A279 HydrophobicContact CG1-CB 3.56Å; D276-A279 HydrophobicContact CB-CB 4.27Å; D276-A279 PolarHBondContact OD1-N 3.36Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.29Å; A279-E283 PolarHBondContact O-N 3.15Å; A279-E283 VanDerWaalsContact O-N 3.13Å
280L96.7Very high96.8Very high9 Ų957 Ų575%0.04731%0.305CS..Hα-helixtrans-64.5-41.1172.8179.562.5000112.7F267 I272 D276 L277 H282 L284F267-L280 HydrophobicContact CE1-CD1 3.71Å; F267-L280 HydrophobicContact CZ-CD1 3.82Å; I272-L280 HydrophobicContact CB-CD1 4.28Å; I272-L280 HydrophobicContact CG2-CD1 4.02Å; D276-L280 PolarHBondContact O-N 3.31Å; L277-L280 PolarHBondContact O-N 3.21Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.11Å; L280-L284 HydrophobicContact CD1-CD1 4.04Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.86Å; L280-L284 VanDerWaalsContact O-N 3.17Å
281M97.4Very high97Very high84 Ų8460 Ų6041%0.41431%0.312SS..Hα-helixtrans-68.7-26.9174.4-67-63.194.300112.3L277 S278 L284 S285L277-M281 HydrophobicContact CD1-CE 3.94Å; L277-M281 HydrophobicContact CD1-CG 4.02Å; L277-M281 HydrophobicContact CD1-SD 4.42Å; L277-M281 HydrophobicContact CG-CG 4.09Å; L277-M281 WeakPolarHBondContact O-CB 3.33Å; L277-M281 WeakPolarHBondContact O-CG 3.43Å; L277-M281 PolarHBondContact O-N 2.8Å; S278-M281 PolarHBondContact O-N 2.9Å; M281-L284 HydrophobicContact CE-CD1 3.87Å; M281-S285 WeakPolarHBondContact O-CB 3.48Å; M281-S285 PolarHBondContact O-N 3.07Å; M281-S285 PolarHBondContact O-OG 2.77Å
282H96.9Very high97.1Very high86 Ų8664.1 Ų64.140%0.39833%0.33SS..Hα-helixtrans-65.9-53.7173.1-174.767.5000111.2S278 A279 L280 L284 S285 N286S278-H282 PolarHBondContact O-N 3.1Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.29Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.11Å; H282-L284 PolarHBondContact O-N 3.35Å; H282-S285 CarbonylContact O-C 3.59Å; H282-S285 WeakPolarHBondContact O-CA 3.36Å; H282-S285 WeakPolarHBondContact O-CB 3.43Å; H282-S285 PolarHBondContact O-N 2.91Å; H282-N286 PolarHBondContact CD2-ND2 3.37Å; H282-N286 VanDerWaalsContact CD2-ND2 3.3Å; H282-N286 PolarHBondContact NE2-ND2 3.32Å; H282-N286 VanDerWaalsContact O-CG 3.3Å; H282-N286 PolarHBondContact O-N 3.02Å; H282-N286 PolarHBondContact O-ND2 3.5Å
283E97.4Very high97.2Very high27 Ų2764 Ų6413%0.12633%0.33CS..Hα-helixtrans-57.7-48.4178.5-62.1-43.1126.500112.3I253 F267 A279 S285 N286 D287I253-E283 HydrophobicContact CG2-CG 3.96Å; F267-E283 HydrophobicContact CE1-CB 3.7Å; F267-E283 HydrophobicContact CE1-CG 4.27Å; F267-E283 HydrophobicContact CZ-CB 4.26Å; F267-E283 HydrophobicContact CZ-CG 4.34Å; A279-E283 PolarHBondContact O-N 3.15Å; A279-E283 VanDerWaalsContact O-N 3.13Å; E283-S285 VanDerWaalsContact C-N 3.25Å; E283-S285 PolarHBondContact O-N 3.15Å; E283-N286 WeakPolarHBondContact O-CB 3.2Å; E283-N286 PolarHBondContact O-N 2.88Å; E283-D287 PolarHBondContact O-N 3.32Å
284L97.4Very high97.3Very high47 Ų4762.5 Ų62.525%0.24632%0.324CS..Hα-helixtrans-67.6-25178.4-63.6176.9000112.8F267 L280 M281 H282 G288F267-L284 HydrophobicContact CD1-CD2 4.1Å; F267-L284 HydrophobicContact CE1-CD2 4.36Å; L280-L284 HydrophobicContact CD1-CD1 4.04Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.86Å; L280-L284 VanDerWaalsContact O-N 3.17Å; M281-L284 HydrophobicContact CE-CD1 3.87Å; H282-L284 PolarHBondContact O-N 3.35Å; L284-G288 PolarHBondContact O-N 3.45Å
285S97.8Very high97.4Very high68 Ų6866.5 Ų66.548%0.47634%0.337SS..Hα-helixtrans-75.5-33.3170.5-630000112.2M281 H282 E283 G288 A289M281-S285 WeakPolarHBondContact O-CB 3.48Å; M281-S285 PolarHBondContact O-N 3.07Å; M281-S285 PolarHBondContact O-OG 2.77Å; H282-S285 CarbonylContact O-C 3.59Å; H282-S285 WeakPolarHBondContact O-CA 3.36Å; H282-S285 WeakPolarHBondContact O-CB 3.43Å; H282-S285 PolarHBondContact O-N 2.91Å; E283-S285 VanDerWaalsContact C-N 3.25Å; E283-S285 PolarHBondContact O-N 3.15Å; S285-G288 PolarHBondContact O-N 2.87Å; S285-A289 WeakPolarHBondContact O-CB 3.14Å; S285-A289 PolarHBondContact O-N 2.77Å
286N97.8Very high97.6Very high32 Ų3258 Ų5817%0.17131%0.305CS..Hα-helixtrans-65.6-43.9174.9-66.9-25.8000110.4H282 E283 A289 R290 V362H282-N286 PolarHBondContact CD2-ND2 3.37Å; H282-N286 VanDerWaalsContact CD2-ND2 3.3Å; H282-N286 PolarHBondContact NE2-ND2 3.32Å; H282-N286 VanDerWaalsContact O-CG 3.3Å; H282-N286 PolarHBondContact O-N 3.02Å; H282-N286 PolarHBondContact O-ND2 3.5Å; E283-N286 WeakPolarHBondContact O-CB 3.2Å; E283-N286 PolarHBondContact O-N 2.88Å; N286-A289 PolarHBondContact O-N 3.4Å; N286-R290 WeakPolarHBondContact O-CB 3.38Å; N286-R290 PolarHBondContact O-N 2.87Å; N286-V362 HydrophobicContact CB-CG2 4.19Å
287D97.3Very high97.7Very high37 Ų3754.3 Ų54.320%0.19829%0.285CS..Hα-helixtrans-60-50170.4-65.5-49.3000111.4R257 E283 A289 R290 H291R257-D287 IonicContact CZ-OD1 3.05Å; R257-D287 IonicContact CZ-OD2 3.16Å; R257-D287 IonicContact NH1-OD1 3.29Å; R257-D287 PolarHBondContact NH1-OD1 3.31Å; R257-D287 IonicContact NH1-OD2 2.71Å; R257-D287 PolarHBondContact NH1-OD2 2.98Å; R257-D287 IonicContact NH2-OD1 2.69Å; R257-D287 PolarHBondContact NH2-OD1 3.02Å; R257-D287 IonicContact NH2-OD2 2.98Å; E283-D287 PolarHBondContact O-N 3.32Å; D287-A289 VanDerWaalsContact C-N 3.27Å; D287-A289 PolarHBondContact O-N 2.79Å; D287-R290 WeakPolarHBondContact O-CB 3.37Å; D287-R290 PolarHBondContact O-N 3.39Å; D287-R290 VanDerWaalsContact O-N 3.15Å; D287-H291 PolarHBondContact O-N 3.3Å; D287-H291 PolarHBondContact O-ND1 2.98Å
288G97.8Very high97.8Very high29 Ų2952.7 Ų52.730%0.29928%0.275SS..Hα-helixtrans-62.1-32.8179.800000113.5L284 S285 Q292L284-G288 PolarHBondContact O-N 3.45Å; S285-G288 PolarHBondContact O-N 2.87Å; G288-Q292 WeakPolarHBondContact O-CB 3.39Å; G288-Q292 WeakPolarHBondContact O-CG 3.15Å; G288-Q292 PolarHBondContact O-N 3.25Å; G288-Q292 PolarHBondContact O-NE2 3.31Å
289A98.6Very high97.9Very high2 Ų254.1 Ų54.12%0.01727%0.271CS..Hα-helixtrans-74.6-37.1174.700000111.7S285 N286 D287 F293 F353 N359 V362S285-A289 WeakPolarHBondContact O-CB 3.14Å; S285-A289 PolarHBondContact O-N 2.77Å; N286-A289 PolarHBondContact O-N 3.4Å; D287-A289 VanDerWaalsContact C-N 3.27Å; D287-A289 PolarHBondContact O-N 2.79Å; A289-F293 WeakPolarHBondContact O-CB 3.35Å; A289-F293 PolarHBondContact O-N 3.46Å; A289-F353 HydrophobicContact CB-CE2 3.92Å; A289-F353 HydrophobicContact CB-CZ 4.28Å; A289-F353 WeakPolarHBondContact O-CE2 3.21Å; A289-N359 WeakPolarHBondContact CB-OD1 3.47Å; A289-V362 HydrophobicContact CB-CG1 4.25Å
290R98.6Very high97.9Very high74 Ų7455.2 Ų55.228%0.27927%0.273SS..Hα-helixtrans-59.9-55.5175.4-177.5-179.8178.8110.316.1111.1N286 D287 Q292 F293 E294 V362 V366 E369N286-R290 WeakPolarHBondContact O-CB 3.38Å; N286-R290 PolarHBondContact O-N 2.87Å; D287-R290 WeakPolarHBondContact O-CB 3.37Å; D287-R290 PolarHBondContact O-N 3.39Å; D287-R290 VanDerWaalsContact O-N 3.15Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.09Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.1Å; R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 IonicContact CZ-OE1 3.48Å; R290-E294 VanDerWaalsContact CZ-OE1 3.23Å; R290-E294 IonicContact NE-OE1 3.49Å; R290-E294 PolarHBondContact NE-OE1 3.33Å; R290-E294 IonicContact NH2-OE1 4Å; R290-E294 PolarHBondContact NH2-OE1 2.86Å; R290-E294 WeakPolarHBondContact O-CG 3.34Å; R290-E294 PolarHBondContact O-N 3.46Å; R290-V362 HydrophobicContact CB-CG1 3.85Å; R290-V366 HydrophobicContact CG-CG2 3.81Å; R290-E369 IonicContact CZ-OE1 3.55Å; R290-E369 IonicContact CZ-OE2 2.64Å; R290-E369 VanDerWaalsContact NH1-CD 3.29Å; R290-E369 IonicContact NH1-OE1 2.88Å; R290-E369 PolarHBondContact NH1-OE1 3.42Å; R290-E369 IonicContact NH1-OE2 3.03Å; R290-E369 PolarHBondContact NH1-OE2 3.05Å; R290-E369 IonicContact NH2-OE2 3.06Å; R290-E369 PolarHBondContact NH2-OE2 3.09Å
291H98.3Very high98Very high125 Ų12554.8 Ų54.858%0.57927%0.271SS*.Hα-helixtrans-60.8-39.4-179-66.790.1000112.2D287 F295D287-H291 PolarHBondContact O-N 3.3Å; D287-H291 PolarHBondContact O-ND1 2.98Å; H291-F295 PolarHBondContact O-N 2.77Å
292Q98.3Very high98Very high94 Ų9453.8 Ų53.844%0.43927%0.267SS..Hα-helixtrans-63.7-43173.6-81.1174.286.600112.3G288 R290 F295 Y296 F353G288-Q292 WeakPolarHBondContact O-CB 3.39Å; G288-Q292 WeakPolarHBondContact O-CG 3.15Å; G288-Q292 PolarHBondContact O-N 3.25Å; G288-Q292 PolarHBondContact O-NE2 3.31Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.09Å; Q292-F295 PolarHBondContact O-N 3.15Å; Q292-Y296 HydrophobicContact CB-CE2 4.18Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.14Å; Q292-F353 HydrophobicContact CB-CD2 4.34Å; Q292-F353 HydrophobicContact CB-CE2 4.18Å
293F98.7Very high98.1Very high0 Ų053 Ų530%027%0.269CS..Hα-helixtrans-70.8-36.3179.1-175.5-106.7000112.7A289 R290 F295 Y296 L297 F353 F354 A363 V366 L367A289-F293 WeakPolarHBondContact O-CB 3.35Å; A289-F293 PolarHBondContact O-N 3.46Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.1Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3.02Å; F293-Y296 CarbonylContact O-C 3.6Å; F293-Y296 PolarHBondContact O-N 3.14Å; F293-L297 HydrophobicContact CE1-CB 4.22Å; F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CB 4.29Å; F293-L297 HydrophobicContact CZ-CD1 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.14Å; F293-L297 PolarHBondContact O-N 2.85Å; F293-F353 HydrophobicContact CB-CE1 4.01Å; F293-F353 HydrophobicContact CB-CE2 4.38Å; F293-F353 HydrophobicContact CB-CZ 3.66Å; F293-F353 AromaticContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CZ 4.38Å; F293-F353 HydrophobicContact CG-CE1 4.23Å; F293-F353 HydrophobicContact CG-CZ 4.34Å; F293-F354 HydrophobicContact CD2-CE1 4.3Å; F293-F354 HydrophobicContact CD2-CZ 4.12Å; F293-F354 HydrophobicContact CE2-CE1 4.14Å; F293-F354 AromaticContact CE2-CZ 3.66Å; F293-F354 HydrophobicContact CE2-CZ 3.66Å; F293-A363 HydrophobicContact CB-CB 4.38Å; F293-A363 HydrophobicContact CD1-CB 3.61Å; F293-A363 HydrophobicContact CD2-CB 3.68Å; F293-A363 HydrophobicContact CE1-CB 3.77Å; F293-A363 HydrophobicContact CE2-CB 3.87Å; F293-A363 HydrophobicContact CG-CB 3.56Å; F293-A363 HydrophobicContact CZ-CB 3.9Å; F293-V366 HydrophobicContact CD1-CB 3.79Å; F293-V366 HydrophobicContact CD1-CG1 3.87Å; F293-V366 HydrophobicContact CD1-CG2 4.18Å; F293-V366 HydrophobicContact CE1-CB 4.06Å; F293-V366 HydrophobicContact CE1-CG1 4.05Å; F293-L367 HydrophobicContact CE1-CD2 4.06Å; F293-L367 HydrophobicContact CE1-CG 3.87Å; F293-L367 HydrophobicContact CZ-CD1 4.22Å; F293-L367 HydrophobicContact CZ-CD2 4Å; F293-L367 HydrophobicContact CZ-CG 3.99Å
294E98.6Very high98.1Very high46 Ų4653.5 Ų53.522%0.21527%0.273CS..Hα-helixtrans-60.2-42.8173.5-74.217416400110.8R290 L297 E298 V366R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 IonicContact CZ-OE1 3.48Å; R290-E294 VanDerWaalsContact CZ-OE1 3.23Å; R290-E294 IonicContact NE-OE1 3.49Å; R290-E294 PolarHBondContact NE-OE1 3.33Å; R290-E294 IonicContact NH2-OE1 4Å; R290-E294 PolarHBondContact NH2-OE1 2.86Å; R290-E294 WeakPolarHBondContact O-CG 3.34Å; R290-E294 PolarHBondContact O-N 3.46Å; E294-L297 PolarHBondContact O-N 3.44Å; E294-E298 WeakPolarHBondContact O-CG 3.19Å; E294-E298 PolarHBondContact O-N 3.2Å; E294-V366 HydrophobicContact CG-CG1 3.76Å; E294-V366 HydrophobicContact CG-CG2 4.33Å
295F98.4Very high98.1Very high122 Ų12252.1 Ų52.154%0.53527%0.265SS..Hα-helixtrans-61.4-48.5171.3177-99.6000112.8H291 Q292 F293 L297 E298 E299H291-F295 PolarHBondContact O-N 2.77Å; Q292-F295 PolarHBondContact O-N 3.15Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3.02Å; F295-L297 PolarHBondContact O-N 3.13Å; F295-E298 PolarHBondContact O-N 2.57Å; F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE1-CG 4.24Å; F295-E299 HydrophobicContact CE2-CG 3.65Å; F295-E299 HydrophobicContact CG-CG 4.45Å; F295-E299 HydrophobicContact CZ-CG 3.78Å; F295-E299 WeakPolarHBondContact O-CB 3.4Å; F295-E299 WeakPolarHBondContact O-CG 3.4Å; F295-E299 PolarHBondContact O-N 3.28Å; F295-E299 VanDerWaalsContact O-N 3.09Å
296Y98.6Very high98Very high26 Ų2651.8 Ų51.810%0.10226%0.26CS..Hα-helixtrans-65-26.8177.7-62.8-31.8000113.5Q292 F293 M300 V301 L350 F353Q292-Y296 HydrophobicContact CB-CE2 4.18Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.14Å; F293-Y296 CarbonylContact O-C 3.6Å; F293-Y296 PolarHBondContact O-N 3.14Å; Y296-M300 HydrophobicContact CD1-CE 3.25Å; Y296-M300 HydrophobicContact CE1-CE 4.03Å; Y296-M300 HydrophobicContact CG-CE 3.64Å; Y296-M300 PolarHBondContact O-N 2.81Å; Y296-M300 VanDerWaalsContact O-N 3.14Å; Y296-V301 PolarHBondContact O-N 2.98Å; Y296-L350 HydrophobicContact CD2-CD1 3.61Å; Y296-L350 HydrophobicContact CE2-CD1 4.36Å; Y296-L350 HydrophobicContact CG-CD1 3.88Å; Y296-F353 HydrophobicContact CD2-CB 4.44Å; Y296-F353 HydrophobicContact CD2-CD2 4.44Å; Y296-F353 HydrophobicContact CD2-CG 4.19Å; Y296-F353 HydrophobicContact CE2-CB 3.89Å; Y296-F353 HydrophobicContact CE2-CD2 4.02Å; Y296-F353 AromaticContact CE2-CG 3.93Å; Y296-F353 HydrophobicContact CE2-CG 3.93Å
297L98.4Very high98Very high8 Ų852.4 Ų52.44%0.04227%0.27CS..Iπ-helixtrans-68.8-52.8177.4176.856.1000110.5F293 E294 F295 V301 L302 V366 L367 R370F293-L297 HydrophobicContact CE1-CB 4.22Å; F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CB 4.29Å; F293-L297 HydrophobicContact CZ-CD1 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.14Å; F293-L297 PolarHBondContact O-N 2.85Å; E294-L297 PolarHBondContact O-N 3.44Å; F295-L297 PolarHBondContact O-N 3.13Å; L297-V301 HydrophobicContact CD1-CB 3.91Å; L297-V301 HydrophobicContact CD1-CG1 3.72Å; L297-V301 PolarHBondContact O-N 3.22Å; L297-L302 VanDerWaalsContact O-CB 3.22Å; L297-L302 WeakPolarHBondContact O-CB 3Å; L297-L302 PolarHBondContact O-N 3.1Å; L297-V366 HydrophobicContact CD2-CG1 3.98Å; L297-L367 HydrophobicContact CD1-CD2 3.81Å; L297-L367 HydrophobicContact CD2-CD2 4.22Å; L297-R370 HydrophobicContact CD2-CG 4.1Å
298E98.1Very high97.9Very high74 Ų7451.4 Ų51.435%0.34627%0.266SS..Iπ-helixtrans-65.6-43.3178.8-53.2-62.8172.900112E294 F295 L302 P303 R370E294-E298 WeakPolarHBondContact O-CG 3.19Å; E294-E298 PolarHBondContact O-N 3.2Å; F295-E298 PolarHBondContact O-N 2.57Å; E298-L302 VanDerWaalsContact OE2-CD2 3.25Å; E298-L302 WeakPolarHBondContact OE2-CD2 3.39Å; E298-P303 WeakPolarHBondContact O-CD 3.49Å; E298-R370 IonicContact OE1-CZ 2.79Å; E298-R370 IonicContact OE1-NH1 3.64Å; E298-R370 PolarHBondContact OE1-NH1 2.91Å; E298-R370 IonicContact OE1-NH2 3.85Å; E298-R370 PolarHBondContact OE1-NH2 2.7Å
299E97.9Very high97.8Very high124 Ų12452.1 Ų52.158%0.57927%0.269SS*.Iπ-helixtrans-82.9-31.6-169.5-66.3-74.6125.300114.9F295F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE1-CG 4.24Å; F295-E299 HydrophobicContact CE2-CG 3.65Å; F295-E299 HydrophobicContact CG-CG 4.45Å; F295-E299 HydrophobicContact CZ-CG 3.78Å; F295-E299 WeakPolarHBondContact O-CB 3.4Å; F295-E299 WeakPolarHBondContact O-CG 3.4Å; F295-E299 PolarHBondContact O-N 3.28Å; F295-E299 VanDerWaalsContact O-N 3.09Å
300M97.9Very high97.7Very high45 Ų4559.7 Ų59.722%0.22230%0.304CS..Iπ-helixtrans-125.1-35.1-172.5-65.6-179.4-69.800114.6Y296 I345 L350Y296-M300 HydrophobicContact CD1-CE 3.25Å; Y296-M300 HydrophobicContact CE1-CE 4.03Å; Y296-M300 HydrophobicContact CG-CE 3.64Å; Y296-M300 PolarHBondContact O-N 2.81Å; Y296-M300 VanDerWaalsContact O-N 3.14Å; M300-I345 HydrophobicContact CB-CD1 4.05Å; M300-I345 HydrophobicContact CB-CG2 4.42Å; M300-I345 HydrophobicContact SD-CG2 4.05Å; M300-L350 HydrophobicContact CE-CB 4.11Å; M300-L350 HydrophobicContact CE-CD1 4.36Å; M300-L350 HydrophobicContact CE-CD2 4.09Å; M300-L350 HydrophobicContact CE-CG 4.42Å
301V98Very high97.5Very high0 Ų060.3 Ų60.30%032%0.319CS..Iπ-helixtrans-88.2-44.7-175.71730000111.5Y296 L297 L304 M305 I318 I345 I409 M411Y296-V301 PolarHBondContact O-N 2.98Å; L297-V301 HydrophobicContact CD1-CB 3.91Å; L297-V301 HydrophobicContact CD1-CG1 3.72Å; L297-V301 PolarHBondContact O-N 3.22Å; V301-L304 PolarHBondContact O-N 2.94Å; V301-M305 HydrophobicContact CG1-CG 4.29Å; V301-M305 HydrophobicContact CG1-SD 3.77Å; V301-M305 WeakPolarHBondContact O-CG 3.41Å; V301-M305 PolarHBondContact O-N 2.97Å; V301-I318 HydrophobicContact CB-CD1 4.45Å; V301-I318 HydrophobicContact CG1-CD1 3.85Å; V301-I345 HydrophobicContact CG2-CD1 3.94Å; V301-I409 HydrophobicContact CG2-CD1 3.72Å; V301-M411 HydrophobicContact CG1-CE 4.23Å; V301-M411 HydrophobicContact CG1-SD 4.34Å
302L98Very high97.3Very high63 Ų6356.3 Ų56.333%0.3331%0.312SS..Hα-helixtrans-61.9-41-178.2-178.762.8000113.5L297 E298 L304 M305 V306L297-L302 VanDerWaalsContact O-CB 3.22Å; L297-L302 WeakPolarHBondContact O-CB 3Å; L297-L302 PolarHBondContact O-N 3.1Å; E298-L302 VanDerWaalsContact OE2-CD2 3.25Å; E298-L302 WeakPolarHBondContact OE2-CD2 3.39Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 3.42Å; L302-M305 PolarHBondContact O-N 2.67Å; L302-M305 VanDerWaalsContact O-N 3.16Å; L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.18Å; L302-V306 WeakPolarHBondContact O-CB 3.44Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 2.99Å
303P98.1Very high97.1Very high69 Ų6956.7 Ų56.745%0.44831%0.313SS..Hα-helixtrans-59-39.5177.5-25.936.2000112.8E298 V306 A307E298-P303 WeakPolarHBondContact O-CD 3.49Å; P303-V306 PolarHBondContact O-N 2.93Å; P303-A307 PolarHBondContact O-N 3.29Å
304L97.5Very high96.9Very high39 Ų3962.9 Ų62.920%0.20434%0.337CS..Hα-helixtrans-69.7-40176.2-60.8-178.1000111.7V301 L302 A307 S308 I318 Q343 I345V301-L304 PolarHBondContact O-N 2.94Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 3.42Å; L304-A307 PolarHBondContact O-N 3.05Å; L304-S308 PolarHBondContact O-N 3.27Å; L304-I318 HydrophobicContact CB-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CG2 4.1Å; L304-Q343 HydrophobicContact CD1-CB 4.22Å; L304-Q343 PolarHBondContact O-NE2 3.05Å; L304-I345 HydrophobicContact CD1-CD1 4.02Å; L304-I345 HydrophobicContact CD1-CG1 3.45Å; L304-I345 VanDerWaalsContact CD1-CG1 3.45Å
305M96.6Very high96.7Very high18 Ų1863.3 Ų63.39%0.08934%0.339CS..Hα-helixtrans-63-40.3172.9-69.4175.253.900112.3V301 L302 S308 A309 C316 L372 M411 W413V301-M305 HydrophobicContact CG1-CG 4.29Å; V301-M305 HydrophobicContact CG1-SD 3.77Å; V301-M305 WeakPolarHBondContact O-CG 3.41Å; V301-M305 PolarHBondContact O-N 2.97Å; L302-M305 PolarHBondContact O-N 2.67Å; L302-M305 VanDerWaalsContact O-N 3.16Å; M305-S308 PolarHBondContact O-N 3.42Å; M305-A309 WeakPolarHBondContact O-CB 3.45Å; M305-A309 PolarHBondContact O-N 3.27Å; M305-C316 HydrophobicContact CG-CB 4.3Å; M305-L372 HydrophobicContact CE-CD1 3.8Å; M305-L372 HydrophobicContact CE-CD2 3.68Å; M305-L372 HydrophobicContact CE-CG 4.4Å; M305-L372 HydrophobicContact SD-CD1 4.44Å; M305-M411 HydrophobicContact CE-CG 4.42Å; M305-M411 HydrophobicContact CG-CE 4.32Å; M305-M411 HydrophobicContact SD-CE 4.28Å; M305-M411 HydrophobicContact SD-CG 4.28Å; M305-M411 HydrophobicContact SD-SD 3.81Å; M305-W413 HydrophobicContact CB-CH2 4.44Å; M305-W413 HydrophobicContact CB-CZ3 4.07Å; M305-W413 HydrophobicContact CE-CE3 3.91Å; M305-W413 HydrophobicContact CE-CZ3 4.09Å; M305-W413 HydrophobicContact CG-CZ3 4.05Å
306V97.3Very high96.5Very high61 Ų6157.7 Ų57.737%0.3732%0.315SS..Hα-helixtrans-65.4-42.9176.8169.30000110.8L302 P303 A309 Q310L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.18Å; L302-V306 WeakPolarHBondContact O-CB 3.44Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 2.99Å; P303-V306 PolarHBondContact O-N 2.93Å; V306-A309 PolarHBondContact O-N 2.98Å; V306-Q310 HydrophobicContact CG1-CG 4.39Å; V306-Q310 WeakPolarHBondContact O-CB 3.42Å; V306-Q310 VanDerWaalsContact O-CG 3.28Å; V306-Q310 WeakPolarHBondContact O-CG 3.44Å; V306-Q310 PolarHBondContact O-N 3.06Å
307A96.6Very high96.4Very high45 Ų4557.9 Ų57.937%0.37232%0.316SS..Hα-helixtrans-58.9-47.3174.700000111.9P303 L304 Q310 S311P303-A307 PolarHBondContact O-N 3.29Å; L304-A307 PolarHBondContact O-N 3.05Å; A307-Q310 PolarHBondContact O-N 3.32Å; A307-S311 PolarHBondContact O-N 3.17Å
308S95.3Very high96.3Very high16 Ų1657.5 Ų57.511%0.11231%0.314CS..Hα-helixtrans-60.9-43173.3-82.20000112.9L304 M305 Q310 S311 G312 E313 Q343L304-S308 PolarHBondContact O-N 3.27Å; M305-S308 PolarHBondContact O-N 3.42Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact O-N 2.97Å; S308-S311 PolarHBondContact O-N 2.91Å; S308-S311 PolarHBondContact O-OG 2.95Å; S308-G312 PolarHBondContact O-N 3.4Å; S308-E313 VanDerWaalsContact O-CB 3.29Å; S308-E313 WeakPolarHBondContact O-CB 3.25Å; S308-E313 PolarHBondContact O-N 3.32Å; S308-Q343 PolarHBondContact OG-NE2 2.93Å
309A96.1Very high96.2Very high44 Ų4454.3 Ų54.336%0.36430%0.3SS..Hα-helixtrans-63.7-36.8177.800000111.9M305 V306 G312 W413M305-A309 WeakPolarHBondContact O-CB 3.45Å; M305-A309 PolarHBondContact O-N 3.27Å; V306-A309 PolarHBondContact O-N 2.98Å; A309-G312 PolarHBondContact O-N 3.13Å; A309-W413 HydrophobicContact CB-CZ2 3.95Å
310Q96.9Very high96.2Very high161 Ų16148.4 Ų48.475%0.75227%0.272SS*.Hα-helixtrans-70.5-34.3175-72.9174.1-2.600113V306 A307 S308 G312V306-Q310 HydrophobicContact CG1-CG 4.39Å; V306-Q310 WeakPolarHBondContact O-CB 3.42Å; V306-Q310 VanDerWaalsContact O-CG 3.28Å; V306-Q310 WeakPolarHBondContact O-CG 3.44Å; V306-Q310 PolarHBondContact O-N 3.06Å; A307-Q310 PolarHBondContact O-N 3.32Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact O-N 2.97Å; Q310-G312 PolarHBondContact O-N 3.28Å
311S94.8Very high96.2Very high86 Ų8646.2 Ų46.260%0.60126%0.262SS*.THydrogen-bonded Turntrans-74.4-4.6172.370.30000113.8A307 S308A307-S311 PolarHBondContact O-N 3.17Å; S308-S311 PolarHBondContact O-N 2.91Å; S308-S311 PolarHBondContact O-OG 2.95Å
312G94.1Very high96.2Very high41 Ų4147 Ų4742%0.42327%0.266SS..THydrogen-bonded Turntrans103.31175.700000115.1S308 A309 Q310 R314S308-G312 PolarHBondContact O-N 3.4Å; A309-G312 PolarHBondContact O-N 3.13Å; Q310-G312 PolarHBondContact O-N 3.28Å; G312-R314 PolarHBondContact O-NH1 2.98Å
313E93.9Very high96.1Very high102 Ų10248.7 Ų48.748%0.47728%0.276SS..  trans-71.2161.9-176.6-62.7-57.2151.300113.8S308 W413S308-E313 VanDerWaalsContact O-CB 3.29Å; S308-E313 WeakPolarHBondContact O-CB 3.25Å; S308-E313 PolarHBondContact O-N 3.32Å; E313-W413 HydrophobicContact CB-CZ2 4.32Å; E313-W413 PolarHBondContact O-NE1 2.94Å
314R94.5Very high96Very high131 Ų13152.2 Ų52.249%0.49429%0.291SS..SBendtrans-122.9-2.5176.7-58-63.7175-98.8-5.3113.6G312 S412 W413 E414G312-R314 PolarHBondContact O-NH1 2.98Å; R314-S412 WeakPolarHBondContact O-CA 3.44Å; R314-S412 PolarHBondContact O-OG 3.42Å; R314-W413 PolarHBondContact O-N 3.35Å; R314-W413 VanDerWaalsContact O-N 3.12Å; R314-E414 HydrophobicContact CB-CB 3.96Å; R314-E414 HydrophobicContact CB-CG 4.27Å; R314-E414 PolarHBondContact O-N 2.9Å
315E94.1Very high95.8Very high54 Ų5451.4 Ų51.425%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-142.3166.716664.717915900111.2R410 M411E315-R410 VanDerWaalsContact CD-NH2 3.27Å; E315-R410 IonicContact OE1-CZ 2.69Å; E315-R410 IonicContact OE1-NE 3.06Å; E315-R410 IonicContact OE1-NH2 3.11Å; E315-R410 PolarHBondContact OE1-NH2 3.47Å; E315-R410 IonicContact OE2-CZ 3.63Å; E315-R410 VanDerWaalsContact OE2-CZ 3.31Å; E315-R410 IonicContact OE2-NE 2.7Å; E315-R410 PolarHBondContact OE2-NE 3.37Å; E315-R410 IonicContact OE2-NH2 2.88Å; E315-R410 PolarHBondContact OE2-NH2 3.28Å; E315-R410 VanDerWaalsContact OE2-NH2 3.07Å; E315-M411 CarbonylContact C-O 3.59Å; E315-M411 VanDerWaalsContact CA-O 3.31Å; E315-M411 WeakPolarHBondContact CA-O 3.36Å; E315-M411 VanDerWaalsContact CB-O 3.31Å; E315-M411 WeakPolarHBondContact CB-O 3.45Å
316C94.6Very high95.5Very high4 Ų455.5 Ų55.53%0.02731%0.313CS..EExtended strand (participates in β ladder)trans-135.6133.9175.9-176.90000108.9M305 I318 Q343 R410 M411 W413M305-C316 HydrophobicContact CG-CB 4.3Å; C316-I318 WeakPolarHBondContact SG-CG1 3.25Å; C316-Q343 PolarHBondContact SG-NE2 3.03Å; C316-R410 VanDerWaalsContact O-CA 3.31Å; C316-R410 WeakPolarHBondContact O-CA 3.42Å; C316-M411 HydrophobicContact CB-CE 4.17Å; C316-M411 PolarHBondContact N-O 3.14Å; C316-M411 PolarHBondContact O-N 2.8Å; C316-W413 HydrophobicContact CB-CH2 3.69Å; C316-W413 HydrophobicContact CB-CZ3 3.57Å
317H95.5Very high95.2Very high30 Ų3054.5 Ų54.514%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-112.6125166.9-170.6-165.4000108.2S342 Q343 F408 I409H317-S342 PolarHBondContact ND1-OG 2.69Å; H317-S342 CarbonylContact O-C 3.55Å; H317-S342 WeakPolarHBondContact O-CA 3.41Å; H317-Q343 PolarHBondContact O-N 3.38Å; H317-F408 AromaticContact NE2-CD2 3.48Å; H317-F408 WeakPolarHBondContact NE2-CD2 3.42Å; H317-F408 AromaticContact NE2-CG 3.86Å; H317-I409 CarbonylContact C-O 3.57Å; H317-I409 WeakPolarHBondContact CA-O 3.39Å
318I96.6Very high94.9Very high0 Ų057.4 Ų57.40%032%0.316CS..EExtended strand (participates in β ladder)trans-124.4132.5-178.6-51179.4000108.7V301 L304 C316 Q343 I345 F408 I409 M411V301-I318 HydrophobicContact CB-CD1 4.45Å; V301-I318 HydrophobicContact CG1-CD1 3.85Å; L304-I318 HydrophobicContact CB-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CG2 4.1Å; C316-I318 WeakPolarHBondContact SG-CG1 3.25Å; I318-Q343 CarbonylContact C-O 3.6Å; I318-Q343 WeakPolarHBondContact CA-O 3.44Å; I318-Q343 HydrophobicContact CG1-CB 4.49Å; I318-I345 HydrophobicContact CG2-CB 4.49Å; I318-I345 HydrophobicContact CG2-CD1 3.66Å; I318-I345 HydrophobicContact CG2-CG1 3.72Å; I318-F408 CarbonylContact O-C 3.55Å; I318-F408 VanDerWaalsContact O-CA 3.23Å; I318-F408 WeakPolarHBondContact O-CA 3.48Å; I318-I409 HydrophobicContact CB-CB 4.39Å; I318-I409 PolarHBondContact N-O 3.49Å; I318-I409 PolarHBondContact O-N 2.75Å; I318-M411 HydrophobicContact CD1-CE 3.7Å; I318-M411 HydrophobicContact CG1-CE 4.02Å
319V96.5Very high94.6Very high7 Ų761 Ų614%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-106.7134.8169.4178.60000109.5L321 Q343 I344 I345 Y382 R406 F408V319-L321 HydrophobicContact CG1-CD2 3.94Å; V319-L321 HydrophobicContact CG1-CG 4.49Å; V319-Q343 PolarHBondContact N-O 2.71Å; V319-I344 WeakPolarHBondContact O-CA 3.24Å; V319-I345 PolarHBondContact O-N 3.04Å; V319-Y382 HydrophobicContact CB-CD2 4.07Å; V319-Y382 HydrophobicContact CB-CE2 4.05Å; V319-Y382 HydrophobicContact CG1-CD2 3.7Å; V319-Y382 HydrophobicContact CG1-CE2 4.09Å; V319-Y382 HydrophobicContact CG1-CG 3.92Å; V319-Y382 HydrophobicContact CG2-CD2 3.73Å; V319-Y382 HydrophobicContact CG2-CE2 3.79Å; V319-R406 HydrophobicContact CG1-CB 4.02Å; V319-F408 HydrophobicContact CG2-CB 4.41Å
320V98Very high94.1Very high0 Ų061.1 Ų61.10%032%0.321CS..EExtended strand (participates in β ladder)trans-101.3107179.5-174.60000109.5I345 L350 F354 R406 P407V320-I345 CarbonylContact C-O 3.54Å; V320-I345 WeakPolarHBondContact CA-O 3.5Å; V320-L350 HydrophobicContact CG1-CB 3.8Å; V320-L350 HydrophobicContact CG1-CD2 3.93Å; V320-L350 HydrophobicContact CG1-CG 3.83Å; V320-L350 HydrophobicContact CG2-CD2 3.71Å; V320-L350 HydrophobicContact CG2-CG 4.09Å; V320-F354 HydrophobicContact CG2-CD2 4.21Å; V320-F354 HydrophobicContact CG2-CE2 4.16Å; V320-R406 WeakPolarHBondContact O-CD 3.48Å; V320-P407 HydrophobicContact CB-CB 4.22Å; V320-P407 PolarHBondContact N-O 2.69Å
321L97.1Very high93.6Very high0 Ų062.6 Ų62.60%033%0.329CS..EExtended strand (participates in β ladder)trans-90.3157.8172.7-59.1-173.8000110.8V319 D325 V327 I344 I345 Y346 S347 Y382 R406V319-L321 HydrophobicContact CG1-CD2 3.94Å; V319-L321 HydrophobicContact CG1-CG 4.49Å; L321-D325 HydrophobicContact CB-CB 4.01Å; L321-D325 HydrophobicContact CD1-CB 4.36Å; L321-V327 HydrophobicContact CD1-CG2 3.48Å; L321-V327 VanDerWaalsContact CD1-CG2 3.48Å; L321-I344 HydrophobicContact CB-CG2 4.46Å; L321-I344 HydrophobicContact CD1-CG2 3.63Å; L321-I344 HydrophobicContact CG-CG2 3.88Å; L321-I345 PolarHBondContact N-O 3.47Å; L321-Y346 HydrophobicContact CB-CD1 3.84Å; L321-Y346 HydrophobicContact CB-CE1 3.98Å; L321-Y346 HydrophobicContact CB-CG 4.49Å; L321-Y346 HydrophobicContact CD1-CD1 4.31Å; L321-Y346 HydrophobicContact CD1-CE1 3.61Å; L321-Y346 HydrophobicContact CG-CE1 4.41Å; L321-S347 CarbonylContact O-C 3.48Å; L321-S347 PolarHBondContact O-N 3.31Å; L321-Y382 HydrophobicContact CD1-CE1 4.31Å; L321-Y382 HydrophobicContact CD2-CD1 4.01Å; L321-Y382 HydrophobicContact CD2-CE1 4.41Å; L321-R406 HydrophobicContact CD2-CB 4.3Å; L321-R406 HydrophobicContact CD2-CG 3.69Å
322T97.4Very high93.1Very high16 Ų1665.2 Ų65.210%0.09833%0.331CS..  trans-79.2161.1166.354.60000110.1D324 D325 T348 Y351T322-D324 PolarHBondContact O-N 2.97Å; T322-D325 PolarHBondContact N-OD2 3.05Å; T322-D325 WeakPolarHBondContact O-CB 3.18Å; T322-D325 PolarHBondContact O-N 3.42Å; T322-D325 VanDerWaalsContact O-N 3.16Å; T322-D325 VanDerWaalsContact OG1-CG 3.24Å; T322-D325 PolarHBondContact OG1-OD2 2.88Å; T322-T348 HydrophobicContact CG2-CG2 4.3Å; T322-Y351 HydrophobicContact CG2-CD1 3.52Å; T322-Y351 HydrophobicContact CG2-CD2 3.9Å; T322-Y351 HydrophobicContact CG2-CE1 4.06Å; T322-Y351 HydrophobicContact CG2-CE2 4.41Å; T322-Y351 HydrophobicContact CG2-CG 3.45Å; T322-Y351 VanDerWaalsContact CG2-CG 3.45Å
323D96.8Very high92.6Very high99 Ų9966.5 Ų66.553%0.52932%0.324SS..THydrogen-bonded Turntrans-68.9-17.4-177.3-45.1-50.7000111.9S347 T348D323-S347 WeakPolarHBondContact OD1-CA 3.22Å; D323-S347 PolarHBondContact OD1-N 3.3Å; D323-T348 PolarHBondContact N-OG1 2.8Å; D323-T348 PolarHBondContact OD1-N 2.83Å; D323-T348 VanDerWaalsContact OD1-N 3.13Å; D323-T348 WeakPolarHBondContact OD2-CB 3.22Å; D323-T348 PolarHBondContact OD2-N 3.16Å; D323-T348 PolarHBondContact OD2-OG1 2.95Å
324D95.4Very high92.2Very high143 Ų14365.4 Ų65.477%0.76533%0.326SS*.THydrogen-bonded Turntrans-92.9-1.8177.4-49.7-63.7000113.6T322T322-D324 PolarHBondContact O-N 2.97Å
325D94.5Very high91.6Very high21 Ų2159.9 Ų59.911%0.11231%0.306CS..  trans-78131.2-178.4-83-56.8000112.5L321 T322 R406L321-D325 HydrophobicContact CB-CB 4.01Å; L321-D325 HydrophobicContact CD1-CB 4.36Å; T322-D325 PolarHBondContact N-OD2 3.05Å; T322-D325 WeakPolarHBondContact O-CB 3.18Å; T322-D325 PolarHBondContact O-N 3.42Å; T322-D325 VanDerWaalsContact O-N 3.16Å; T322-D325 VanDerWaalsContact OG1-CG 3.24Å; T322-D325 PolarHBondContact OG1-OD2 2.88Å; D325-R406 VanDerWaalsContact CG-NH2 3.28Å; D325-R406 IonicContact OD1-CZ 3.07Å; D325-R406 IonicContact OD1-NE 2.76Å; D325-R406 PolarHBondContact OD1-NE 3.25Å; D325-R406 IonicContact OD1-NH2 3.59Å; D325-R406 PolarHBondContact OD1-NH2 2.7Å; D325-R406 IonicContact OD2-CZ 3.81Å; D325-R406 VanDerWaalsContact OD2-CZ 3.29Å; D325-R406 IonicContact OD2-NE 3.31Å; D325-R406 PolarHBondContact OD2-NE 2.73Å; D325-R406 IonicContact OD2-NH2 2.75Å; D325-R406 PolarHBondContact OD2-NH2 2.76Å
326V90.5Very high90.8Very high105 Ų10566.5 Ų66.564%0.63634%0.337SS*.  trans-107.2126.8171.7-177.40000109.8T384V326-T384 WeakPolarHBondContact O-CB 3.46Å
327V91.1Very high89.6Confident40 Ų4069 Ų6924%0.24235%0.35CS..  trans-111.2114.8173.7-1740000107.9L321 W329 Y382L321-V327 HydrophobicContact CD1-CG2 3.48Å; L321-V327 VanDerWaalsContact CD1-CG2 3.48Å; V327-W329 HydrophobicContact CG1-CD2 4.22Å; V327-W329 HydrophobicContact CG1-CG 4.14Å; V327-W329 HydrophobicContact CG1-CZ2 4.32Å; V327-W329 VanDerWaalsContact CG1-NE1 3.25Å; V327-Y382 HydrophobicContact CG1-CE1 4.27Å; V327-Y382 HydrophobicContact CG2-CE1 4.03Å
328D89.1Confident88.2Confident106 Ų10670.8 Ų70.857%0.56738%0.375SS*.BIsolated β-bridgetrans-13082.4-174.8-178.328.4000108.4T384 Y385D328-T384 CarbonylContact C-O 3.5Å; D328-T384 PolarHBondContact N-O 3.16Å; D328-Y385 WeakPolarHBondContact O-CA 3.31Å
329W89Confident86.3Confident90 Ų9080.5 Ų80.534%0.34142%0.421SS..  trans-87.6129.4-178.8-69.6-1.2000110.6V327 P335 M337 Y382 P383 T384V327-W329 HydrophobicContact CG1-CD2 4.22Å; V327-W329 HydrophobicContact CG1-CG 4.14Å; V327-W329 HydrophobicContact CG1-CZ2 4.32Å; V327-W329 VanDerWaalsContact CG1-NE1 3.25Å; W329-P335 HydrophobicContact CD2-CG 3.57Å; W329-P335 HydrophobicContact CE3-CG 4.1Å; W329-P335 HydrophobicContact CG-CG 3.84Å; W329-P335 HydrophobicContact CH2-CG 4.49Å; W329-P335 HydrophobicContact CZ2-CG 3.99Å; W329-M337 HydrophobicContact CH2-CE 4.11Å; W329-M337 HydrophobicContact CH2-CG 3.64Å; W329-M337 HydrophobicContact CH2-SD 3.63Å; W329-M337 HydrophobicContact CZ2-CE 4.49Å; W329-M337 HydrophobicContact CZ2-CG 4.16Å; W329-M337 HydrophobicContact CZ2-SD 3.69Å; W329-M337 HydrophobicContact CZ3-CG 4.16Å; W329-Y382 HydrophobicContact CZ2-CE1 4.07Å; W329-Y382 HydrophobicContact CZ2-CE2 4.36Å; W329-Y382 AromaticContact CZ2-CZ 3.68Å; W329-Y382 VanDerWaalsContact CZ2-OH 3.31Å; W329-Y382 WeakPolarHBondContact CZ2-OH 3.31Å; W329-P383 HydrophobicContact CZ2-CG 4.09Å; W329-P383 PolarHBondContact NE1-O 3.24Å; W329-T384 VanDerWaalsContact CD1-O 3.32Å
330D85.9Confident84.6Confident47 Ų4783.5 Ų83.525%0.25143%0.434SS..  trans-79.2122.5-175.6176.2-100.4000111.3E332 Y333 P334 K386 Y401D330-E332 VanDerWaalsContact C-N 3.31Å; D330-E332 PolarHBondContact O-N 2.9Å; D330-Y333 CarbonylContact O-C 3.17Å; D330-Y333 PolarHBondContact O-N 3.35Å; D330-Y333 VanDerWaalsContact O-N 3.16Å; D330-Y333 WeakPolarHBondContact OD1-CD2 3.49Å; D330-Y333 PolarHBondContact OD1-N 3.36Å; D330-P334 WeakPolarHBondContact O-CA 3.33Å; D330-P334 WeakPolarHBondContact O-CD 3.37Å; D330-K386 HydrophobicContact CB-CB 4.28Å; D330-K386 HydrophobicContact CB-CD 3.37Å; D330-K386 HydrophobicContact CB-CG 4.48Å; D330-K386 IonicContact OD1-NZ 2.73Å; D330-K386 PolarHBondContact OD1-NZ 3.42Å; D330-K386 WeakPolarHBondContact OD2-CD 3.46Å; D330-K386 IonicContact OD2-NZ 3.62Å; D330-K386 PolarHBondContact OD2-NZ 3.04Å; D330-Y401 WeakPolarHBondContact CB-OH 3.45Å; D330-Y401 PolarHBondContact N-OH 2.69Å; D330-Y401 VanDerWaalsContact N-OH 3.16Å
331E85.2Confident83.4Confident193 Ų19393.4 Ų93.490%0.90247%0.473SS*.THydrogen-bonded Turntrans-61.2-33.3-172.6-60.3-176164.200114
332E85.9Confident82.9Confident140 Ų14094 Ų9465%0.65448%0.477SS*.THydrogen-bonded Turntrans-78-29.7179.5-163.5-166.7155.200111.9D330D330-E332 VanDerWaalsContact C-N 3.31Å; D330-E332 PolarHBondContact O-N 2.9Å
333Y83.3Confident82.6Confident69 Ų6994.8 Ų94.827%0.27148%0.48SS..SBendtrans-139.366.7-178-54.6-88.7000112.7D330 P397 V399 Y401D330-Y333 CarbonylContact O-C 3.17Å; D330-Y333 PolarHBondContact O-N 3.35Å; D330-Y333 VanDerWaalsContact O-N 3.16Å; D330-Y333 WeakPolarHBondContact OD1-CD2 3.49Å; D330-Y333 PolarHBondContact OD1-N 3.36Å; Y333-P397 HydrophobicContact CE1-CB 4.42Å; Y333-P397 HydrophobicContact CE1-CG 4.35Å; Y333-V399 HydrophobicContact CD1-CG2 3.73Å; Y333-V399 HydrophobicContact CD2-CG2 4.31Å; Y333-V399 HydrophobicContact CG-CG2 3.64Å; Y333-Y401 WeakPolarHBondContact O-CE2 3.42Å; Y333-Y401 PolarHBondContact O-OH 2.68Å
334P84.3Confident82.5Confident79 Ų7992.8 Ų92.851%0.51347%0.469SS..  trans-62.2154.517925.2-34.8000111.9D330D330-P334 WeakPolarHBondContact O-CA 3.33Å; D330-P334 WeakPolarHBondContact O-CD 3.37Å
335P83.4Confident82.6Confident14 Ų1486.5 Ų86.59%0.09144%0.435CS..  trans-67.5146.6-179.628.3-32.7000111.5W329 M337 P383 Y401W329-P335 HydrophobicContact CD2-CG 3.57Å; W329-P335 HydrophobicContact CE3-CG 4.1Å; W329-P335 HydrophobicContact CG-CG 3.84Å; W329-P335 HydrophobicContact CH2-CG 4.49Å; W329-P335 HydrophobicContact CZ2-CG 3.99Å; P335-M337 VanDerWaalsContact C-N 3.29Å; P335-M337 HydrophobicContact CG-CG 4.35Å; P335-M337 PolarHBondContact O-N 3.05Å; P335-P383 HydrophobicContact CB-CB 3.77Å; P335-P383 HydrophobicContact CB-CG 3.71Å; P335-P383 HydrophobicContact CG-CB 4.08Å; P335-P383 HydrophobicContact CG-CG 3.79Å; P335-Y401 HydrophobicContact CB-CD1 4.46Å; P335-Y401 HydrophobicContact CB-CD2 3.99Å; P335-Y401 HydrophobicContact CB-CE1 4.43Å; P335-Y401 HydrophobicContact CB-CE2 3.94Å; P335-Y401 HydrophobicContact CB-CG 4.26Å; P335-Y401 HydrophobicContact CG-CE1 4.37Å
336Q77.4Confident82.8Confident193 Ų19390.9 Ų90.990%0.90245%0.451SS*.  trans-77.181.1177.9-66.8-179.30.600110.3G338Q336-G338 PolarHBondContact O-N 3.27Å
337M69.3Low83.2Confident58 Ų5886.3 Ų86.329%0.28642%0.424SS..  trans-67-6.3-178-77.7-64.2-6100115.2W329 P335 S342 Y382 P383W329-M337 HydrophobicContact CH2-CE 4.11Å; W329-M337 HydrophobicContact CH2-CG 3.64Å; W329-M337 HydrophobicContact CH2-SD 3.63Å; W329-M337 HydrophobicContact CZ2-CE 4.49Å; W329-M337 HydrophobicContact CZ2-CG 4.16Å; W329-M337 HydrophobicContact CZ2-SD 3.69Å; W329-M337 HydrophobicContact CZ3-CG 4.16Å; P335-M337 VanDerWaalsContact C-N 3.29Å; P335-M337 HydrophobicContact CG-CG 4.35Å; P335-M337 PolarHBondContact O-N 3.05Å; M337-S342 WeakPolarHBondContact CE-OG 3.28Å; M337-Y382 HydrophobicContact CE-CD2 4.47Å; M337-Y382 HydrophobicContact CE-CE2 3.8Å; M337-Y382 HydrophobicContact SD-CE2 4.29Å; M337-P383 HydrophobicContact SD-CG 3.7Å
338G66.1Low83.5Confident66 Ų6685 Ų8568%0.6842%0.416SS*.  trans83.5-164.5-167.200000112Q336 E340Q336-G338 PolarHBondContact O-N 3.27Å; G338-E340 VanDerWaalsContact C-N 3.34Å
339E55.3Low83.9Confident204 Ų20487 Ų8795%0.95342%0.419SS*.SBendtrans-85.6-7-179.9-62179.5161.100112.8
340E62.1Low84.4Confident70 Ų7082.7 Ų82.733%0.32740%0.403SS..SBendtrans-103.4103.5-169.6-68.9169.8-155.800111.7G338 S342 R410G338-E340 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 3.37Å; E340-S342 VanDerWaalsContact O-N 3.16Å; E340-S342 PolarHBondContact O-OG 3.48Å; E340-R410 IonicContact OE1-CZ 3.55Å; E340-R410 IonicContact OE1-NH1 2.79Å; E340-R410 PolarHBondContact OE1-NH1 2.73Å; E340-R410 IonicContact OE1-NH2 3.71Å; E340-R410 PolarHBondContact OE1-NH2 2.89Å; E340-R410 IonicContact OE2-CZ 3.54Å; E340-R410 IonicContact OE2-NE 3.5Å; E340-R410 IonicContact OE2-NH1 2.81Å; E340-R410 PolarHBondContact OE2-NH1 3.32Å; E340-R410 IonicContact OE2-NH2 2.71Å
341Y72.8Confident85Confident209 Ų20983.6 Ų83.682%0.8240%0.403SS*.PPolyproline II helixtrans-60.5119.4173.6-172.9-93.5000110.2
342S85.5Confident85.6Confident12 Ų1282.4 Ų82.48%0.08439%0.391CS..EExtended strand (participates in β ladder)trans-101.2118.4-173.6-56.80000110.3H317 M337 E340H317-S342 PolarHBondContact ND1-OG 2.69Å; H317-S342 CarbonylContact O-C 3.55Å; H317-S342 WeakPolarHBondContact O-CA 3.41Å; M337-S342 WeakPolarHBondContact CE-OG 3.28Å; E340-S342 PolarHBondContact O-N 3.37Å; E340-S342 VanDerWaalsContact O-N 3.16Å; E340-S342 PolarHBondContact O-OG 3.48Å
343Q92.4Very high86.2Confident32 Ų3276.1 Ų76.115%0.1536%0.361CS..EExtended strand (participates in β ladder)trans-73.4159.3170.3-62.4-167.481.300110.6L304 S308 C316 H317 I318 V319L304-Q343 HydrophobicContact CD1-CB 4.22Å; L304-Q343 PolarHBondContact O-NE2 3.05Å; S308-Q343 PolarHBondContact OG-NE2 2.93Å; C316-Q343 PolarHBondContact SG-NE2 3.03Å; H317-Q343 PolarHBondContact O-N 3.38Å; I318-Q343 CarbonylContact C-O 3.6Å; I318-Q343 WeakPolarHBondContact CA-O 3.44Å; I318-Q343 HydrophobicContact CG1-CB 4.49Å; V319-Q343 PolarHBondContact N-O 2.71Å
344I95Very high86.9Confident57 Ų5772.8 Ų72.829%0.29235%0.348SS..EExtended strand (participates in β ladder)trans-125.4131.9-172.7-54.5177000110.1V319 L321 Y346 Y382V319-I344 WeakPolarHBondContact O-CA 3.24Å; L321-I344 HydrophobicContact CB-CG2 4.46Å; L321-I344 HydrophobicContact CD1-CG2 3.63Å; L321-I344 HydrophobicContact CG-CG2 3.88Å; I344-Y346 HydrophobicContact CB-CE2 4.39Å; I344-Y346 HydrophobicContact CG2-CD2 3.87Å; I344-Y346 HydrophobicContact CG2-CE2 3.5Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.5Å; I344-Y382 VanDerWaalsContact CD1-OH 3.31Å; I344-Y382 WeakPolarHBondContact CD1-OH 3.35Å
345I97.7Very high87.5Confident12 Ų1275.1 Ų75.16%0.06235%0.35CS..EExtended strand (participates in β ladder)trans-110.3122.9163.4-62.9169.7000107.8M300 V301 L304 I318 V319 V320 L321 L350M300-I345 HydrophobicContact CB-CD1 4.05Å; M300-I345 HydrophobicContact CB-CG2 4.42Å; M300-I345 HydrophobicContact SD-CG2 4.05Å; V301-I345 HydrophobicContact CG2-CD1 3.94Å; L304-I345 HydrophobicContact CD1-CD1 4.02Å; L304-I345 HydrophobicContact CD1-CG1 3.45Å; L304-I345 VanDerWaalsContact CD1-CG1 3.45Å; I318-I345 HydrophobicContact CG2-CB 4.49Å; I318-I345 HydrophobicContact CG2-CD1 3.66Å; I318-I345 HydrophobicContact CG2-CG1 3.72Å; V319-I345 PolarHBondContact O-N 3.04Å; V320-I345 CarbonylContact C-O 3.54Å; V320-I345 WeakPolarHBondContact CA-O 3.5Å; L321-I345 PolarHBondContact N-O 3.47Å; I345-L350 HydrophobicContact CB-CD2 4.49Å; I345-L350 HydrophobicContact CD1-CD2 3.78Å; I345-L350 HydrophobicContact CG2-CD2 4.01Å
346Y97.7Very high88.1Confident112 Ų11280.4 Ų80.444%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-89.1110.3163.5-66.1-91.2000107.9L321 I344L321-Y346 HydrophobicContact CB-CD1 3.84Å; L321-Y346 HydrophobicContact CB-CE1 3.98Å; L321-Y346 HydrophobicContact CB-CG 4.49Å; L321-Y346 HydrophobicContact CD1-CD1 4.31Å; L321-Y346 HydrophobicContact CD1-CE1 3.61Å; L321-Y346 HydrophobicContact CG-CE1 4.41Å; I344-Y346 HydrophobicContact CB-CE2 4.39Å; I344-Y346 HydrophobicContact CG2-CD2 3.87Å; I344-Y346 HydrophobicContact CG2-CE2 3.5Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.5Å
347S98.2Very high89.1Confident10 Ų1075.7 Ų75.77%0.0735%0.349CS..  trans-163.9101.9177.4-1800000111L321 D323 K349 L350 Y351L321-S347 CarbonylContact O-C 3.48Å; L321-S347 PolarHBondContact O-N 3.31Å; D323-S347 WeakPolarHBondContact OD1-CA 3.22Å; D323-S347 PolarHBondContact OD1-N 3.3Å; S347-K349 PolarHBondContact O-N 2.95Å; S347-K349 VanDerWaalsContact O-N 3.15Å; S347-L350 PolarHBondContact O-N 3.48Å; S347-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 WeakPolarHBondContact OG-CB 3.44Å; S347-L350 PolarHBondContact OG-N 3.03Å; S347-L350 VanDerWaalsContact OG-N 3.14Å; S347-Y351 PolarHBondContact O-N 3.32Å
348T98.3Very high90.4Very high13 Ų1377 Ų778%0.0835%0.354CS..Hα-helixtrans-60.9-25.5173.7-55.10000112.1T322 D323 R352T322-T348 HydrophobicContact CG2-CG2 4.3Å; D323-T348 PolarHBondContact N-OG1 2.8Å; D323-T348 PolarHBondContact OD1-N 2.83Å; D323-T348 VanDerWaalsContact OD1-N 3.13Å; D323-T348 WeakPolarHBondContact OD2-CB 3.22Å; D323-T348 PolarHBondContact OD2-N 3.16Å; D323-T348 PolarHBondContact OD2-OG1 2.95Å; T348-R352 HydrophobicContact CG2-CG 4.42Å; T348-R352 WeakPolarHBondContact O-CB 3.39Å; T348-R352 WeakPolarHBondContact O-CG 3.36Å; T348-R352 PolarHBondContact O-N 3.06Å
349K98.3Very high92Very high146 Ų14675.1 Ų75.164%0.63533%0.329SS*.Hα-helixtrans-66.5-50.2173.9-64.6178.4-176172.20111.3S347 R352 F353S347-K349 PolarHBondContact O-N 2.95Å; S347-K349 VanDerWaalsContact O-N 3.15Å; K349-R352 PolarHBondContact O-N 2.95Å; K349-F353 PolarHBondContact O-N 2.85Å
350L98.3Very high94.1Very high0 Ų067.4 Ų67.40%029%0.291CS..Hα-helixtrans-67.9-36.3178.7-170.160.9000111.8Y296 M300 V320 I345 S347 F353 F354Y296-L350 HydrophobicContact CD2-CD1 3.61Å; Y296-L350 HydrophobicContact CE2-CD1 4.36Å; Y296-L350 HydrophobicContact CG-CD1 3.88Å; M300-L350 HydrophobicContact CE-CB 4.11Å; M300-L350 HydrophobicContact CE-CD1 4.36Å; M300-L350 HydrophobicContact CE-CD2 4.09Å; M300-L350 HydrophobicContact CE-CG 4.42Å; V320-L350 HydrophobicContact CG1-CB 3.8Å; V320-L350 HydrophobicContact CG1-CD2 3.93Å; V320-L350 HydrophobicContact CG1-CG 3.83Å; V320-L350 HydrophobicContact CG2-CD2 3.71Å; V320-L350 HydrophobicContact CG2-CG 4.09Å; I345-L350 HydrophobicContact CB-CD2 4.49Å; I345-L350 HydrophobicContact CD1-CD2 3.78Å; I345-L350 HydrophobicContact CG2-CD2 4.01Å; S347-L350 PolarHBondContact O-N 3.48Å; S347-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 WeakPolarHBondContact OG-CB 3.44Å; S347-L350 PolarHBondContact OG-N 3.03Å; S347-L350 VanDerWaalsContact OG-N 3.14Å; L350-F353 HydrophobicContact CD1-CD1 4.42Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.86Å; L350-F354 HydrophobicContact CD1-CD2 3.95Å; L350-F354 HydrophobicContact CD1-CE2 3.5Å; L350-F354 VanDerWaalsContact CD1-CE2 3.5Å; L350-F354 HydrophobicContact CD1-CZ 4.17Å; L350-F354 HydrophobicContact CD2-CE2 4.16Å; L350-F354 HydrophobicContact CG-CD2 3.89Å; L350-F354 HydrophobicContact CG-CE2 3.67Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.16Å
351Y98.1Very high95.8Very high67 Ų6768.1 Ų68.126%0.26330%0.297SS..Hα-helixtrans-57.9-49.4170.4170.1-93.2000111.8T322 S347 F353 F354 K355 P407T322-Y351 HydrophobicContact CG2-CD1 3.52Å; T322-Y351 HydrophobicContact CG2-CD2 3.9Å; T322-Y351 HydrophobicContact CG2-CE1 4.06Å; T322-Y351 HydrophobicContact CG2-CE2 4.41Å; T322-Y351 HydrophobicContact CG2-CG 3.45Å; T322-Y351 VanDerWaalsContact CG2-CG 3.45Å; S347-Y351 PolarHBondContact O-N 3.32Å; Y351-F353 VanDerWaalsContact C-N 3.3Å; Y351-F353 PolarHBondContact O-N 2.86Å; Y351-F354 PolarHBondContact O-N 2.87Å; Y351-K355 PolarHBondContact O-N 2.89Å; Y351-P407 VanDerWaalsContact CD2-CD 3.46Å; Y351-P407 HydrophobicContact CD2-CG 3.96Å; Y351-P407 HydrophobicContact CE2-CG 4.46Å
352R97.9Very high97Very high167 Ų16759.3 Ų59.363%0.6327%0.265SS*.Hα-helixtrans-64.3-34.2177.7-74.8172.9-171.4169.69.4112.1T348 K349 K355T348-R352 HydrophobicContact CG2-CG 4.42Å; T348-R352 WeakPolarHBondContact O-CB 3.39Å; T348-R352 WeakPolarHBondContact O-CG 3.36Å; T348-R352 PolarHBondContact O-N 3.06Å; K349-R352 PolarHBondContact O-N 2.95Å; R352-K355 WeakPolarHBondContact O-CB 3.47Å
353F98.5Very high97.6Very high8 Ų858.7 Ų58.74%0.03526%0.261CS..Hα-helixtrans-61.7-54.1174.5177.3-93.6000111.8A289 Q292 F293 Y296 K349 L350 Y351 K355 N359 A363A289-F353 HydrophobicContact CB-CE2 3.92Å; A289-F353 HydrophobicContact CB-CZ 4.28Å; A289-F353 WeakPolarHBondContact O-CE2 3.21Å; Q292-F353 HydrophobicContact CB-CD2 4.34Å; Q292-F353 HydrophobicContact CB-CE2 4.18Å; F293-F353 HydrophobicContact CB-CE1 4.01Å; F293-F353 HydrophobicContact CB-CE2 4.38Å; F293-F353 HydrophobicContact CB-CZ 3.66Å; F293-F353 AromaticContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CZ 4.38Å; F293-F353 HydrophobicContact CG-CE1 4.23Å; F293-F353 HydrophobicContact CG-CZ 4.34Å; Y296-F353 HydrophobicContact CD2-CB 4.44Å; Y296-F353 HydrophobicContact CD2-CD2 4.44Å; Y296-F353 HydrophobicContact CD2-CG 4.19Å; Y296-F353 HydrophobicContact CE2-CB 3.89Å; Y296-F353 HydrophobicContact CE2-CD2 4.02Å; Y296-F353 AromaticContact CE2-CG 3.93Å; Y296-F353 HydrophobicContact CE2-CG 3.93Å; K349-F353 PolarHBondContact O-N 2.85Å; L350-F353 HydrophobicContact CD1-CD1 4.42Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.86Å; Y351-F353 VanDerWaalsContact C-N 3.3Å; Y351-F353 PolarHBondContact O-N 2.86Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 2.83Å; F353-N359 HydrophobicContact CD1-CB 4.39Å; F353-N359 HydrophobicContact CD2-CB 4.43Å; F353-N359 HydrophobicContact CE1-CB 3.94Å; F353-N359 HydrophobicContact CE2-CB 3.99Å; F353-N359 HydrophobicContact CZ-CB 3.7Å; F353-N359 VanDerWaalsContact O-CB 3.31Å; F353-N359 WeakPolarHBondContact O-CB 3.26Å; F353-N359 PolarHBondContact O-ND2 3.35Å; F353-A363 HydrophobicContact CE1-CB 4.24Å
354F98.3Very high97.9Very high0 Ų060.6 Ų60.60%027%0.268CS..Hα-helixtrans-75.7-5.2-177.6-71.3-53.9000115.4F293 V320 L350 Y351 Y356 R360 A363 L377 P407 I409F293-F354 HydrophobicContact CD2-CE1 4.3Å; F293-F354 HydrophobicContact CD2-CZ 4.12Å; F293-F354 HydrophobicContact CE2-CE1 4.14Å; F293-F354 AromaticContact CE2-CZ 3.66Å; F293-F354 HydrophobicContact CE2-CZ 3.66Å; V320-F354 HydrophobicContact CG2-CD2 4.21Å; V320-F354 HydrophobicContact CG2-CE2 4.16Å; L350-F354 HydrophobicContact CD1-CD2 3.95Å; L350-F354 HydrophobicContact CD1-CE2 3.5Å; L350-F354 VanDerWaalsContact CD1-CE2 3.5Å; L350-F354 HydrophobicContact CD1-CZ 4.17Å; L350-F354 HydrophobicContact CD2-CE2 4.16Å; L350-F354 HydrophobicContact CG-CD2 3.89Å; L350-F354 HydrophobicContact CG-CE2 3.67Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.16Å; Y351-F354 PolarHBondContact O-N 2.87Å; F354-Y356 PolarHBondContact O-N 2.81Å; F354-Y356 VanDerWaalsContact O-O 3.06Å; F354-R360 HydrophobicContact CB-CG 4.25Å; F354-R360 HydrophobicContact CD1-CG 3.68Å; F354-R360 HydrophobicContact CG-CG 4.39Å; F354-R360 WeakPolarHBondContact O-CD 3.35Å; F354-R360 PolarHBondContact O-NE 3.37Å; F354-A363 HydrophobicContact CE1-CB 3.86Å; F354-L377 HydrophobicContact CD1-CD2 4.16Å; F354-L377 HydrophobicContact CE1-CD2 3.55Å; F354-L377 HydrophobicContact CZ-CD2 3.81Å; F354-P407 HydrophobicContact CB-CB 3.58Å; F354-P407 HydrophobicContact CB-CG 3.72Å; F354-P407 HydrophobicContact CD2-CB 3.97Å; F354-P407 HydrophobicContact CG-CB 4.11Å; F354-I409 HydrophobicContact CE2-CD1 3.73Å; F354-I409 HydrophobicContact CE2-CG1 3.98Å; F354-I409 HydrophobicContact CZ-CD1 3.72Å; F354-I409 HydrophobicContact CZ-CG1 4Å
355K96.3Very high98.1Very high128 Ų12860 Ų6056%0.55727%0.27SS*.THydrogen-bonded Turntrans-54.4-40.5172.8-174.4-174.5176.8-173.40112Y351 R352 F353 R360Y351-K355 PolarHBondContact O-N 2.89Å; R352-K355 WeakPolarHBondContact O-CB 3.47Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 2.83Å; K355-R360 PolarHBondContact O-NH2 2.85Å
356Y97.5Very high98.1Very high125 Ų12559.5 Ų59.549%0.4927%0.267SS..SBendtrans-75.5151.8178.1-60.7-87.1000110.6F354 R360F354-Y356 PolarHBondContact O-N 2.81Å; F354-Y356 VanDerWaalsContact O-O 3.06Å; Y356-R360 PolarHBondContact O-NE 2.97Å; Y356-R360 PolarHBondContact O-NH2 2.9Å
357I97.3Very high98.2Very high94 Ų9454.2 Ų54.248%0.48225%0.246SC..SBendtrans-86.9-37.6178.7-170.8166000110.6N359 R360 D361I357-N359 PolarHBondContact O-N 2.89Å; I357-R360 WeakPolarHBondContact O-CA 3.27Å; I357-R360 WeakPolarHBondContact O-CB 3.23Å; I357-R360 PolarHBondContact O-N 3.19Å; I357-D361 PolarHBondContact O-N 2.79Å
358E98Very high98.2Very high84 Ų8459.3 Ų59.339%0.39327%0.267SS..Hα-helixtrans-52.6-51.5172.8-53.481.4176.700110.5R360 D361 V362E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.86Å; E358-D361 PolarHBondContact O-N 2.98Å; E358-D361 VanDerWaalsContact O-N 3.13Å; E358-V362 WeakPolarHBondContact O-CG2 3.46Å; E358-V362 PolarHBondContact O-N 3Å
359N98.6Very high98.1Very high27 Ų2764.1 Ų64.114%0.14429%0.289CS..Hα-helixtrans-60.9-32.3175.9-69.54.5000113.4A289 F353 I357 A363A289-N359 WeakPolarHBondContact CB-OD1 3.47Å; F353-N359 HydrophobicContact CD1-CB 4.39Å; F353-N359 HydrophobicContact CD2-CB 4.43Å; F353-N359 HydrophobicContact CE1-CB 3.94Å; F353-N359 HydrophobicContact CE2-CB 3.99Å; F353-N359 HydrophobicContact CZ-CB 3.7Å; F353-N359 VanDerWaalsContact O-CB 3.31Å; F353-N359 WeakPolarHBondContact O-CB 3.26Å; F353-N359 PolarHBondContact O-ND2 3.35Å; I357-N359 PolarHBondContact O-N 2.89Å; N359-A363 VanDerWaalsContact O-CB 3.25Å; N359-A363 WeakPolarHBondContact O-CB 3.33Å; N359-A363 PolarHBondContact O-N 3.43Å
360R98.5Very high98.1Very high43 Ų4363.2 Ų63.216%0.16228%0.281CS..Hα-helixtrans-72.3-38.7175.7-81.3175.9-80.2147.9-8111.3F354 K355 Y356 I357 E358 K364 L377F354-R360 HydrophobicContact CB-CG 4.25Å; F354-R360 HydrophobicContact CD1-CG 3.68Å; F354-R360 HydrophobicContact CG-CG 4.39Å; F354-R360 WeakPolarHBondContact O-CD 3.35Å; F354-R360 PolarHBondContact O-NE 3.37Å; K355-R360 PolarHBondContact O-NH2 2.85Å; Y356-R360 PolarHBondContact O-NE 2.97Å; Y356-R360 PolarHBondContact O-NH2 2.9Å; I357-R360 WeakPolarHBondContact O-CA 3.27Å; I357-R360 WeakPolarHBondContact O-CB 3.23Å; I357-R360 PolarHBondContact O-N 3.19Å; E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.86Å; R360-K364 VanDerWaalsContact O-CB 3.22Å; R360-K364 WeakPolarHBondContact O-CB 3.41Å; R360-K364 PolarHBondContact O-N 2.91Å; R360-L377 HydrophobicContact CB-CB 4.37Å; R360-L377 HydrophobicContact CG-CB 4.42Å; R360-L377 WeakPolarHBondContact O-CD1 3.5Å
361D98.3Very high98Very high84 Ų8466 Ų6645%0.44931%0.311SS..Hα-helixtrans-72.6-36176.2-74-46.8000112.4I357 E358 K364 S365I357-D361 PolarHBondContact O-N 2.79Å; E358-D361 PolarHBondContact O-N 2.98Å; E358-D361 VanDerWaalsContact O-N 3.13Å; D361-K364 WeakPolarHBondContact O-CB 3.13Å; D361-K364 PolarHBondContact O-N 3.22Å; D361-S365 PolarHBondContact O-N 2.85Å; D361-S365 PolarHBondContact O-OG 3.19Å
362V98.6Very high97.9Very high24 Ų2463.9 Ų63.915%0.14530%0.304CS..Hα-helixtrans-60.5-51.6169.2171.80000111N286 A289 R290 E358 K364 S365 V366N286-V362 HydrophobicContact CB-CG2 4.19Å; A289-V362 HydrophobicContact CB-CG1 4.25Å; R290-V362 HydrophobicContact CB-CG1 3.85Å; E358-V362 WeakPolarHBondContact O-CG2 3.46Å; E358-V362 PolarHBondContact O-N 3Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 3.42Å; V362-S365 PolarHBondContact O-N 3.42Å; V362-V366 PolarHBondContact O-N 2.87Å
363A98.7Very high97.8Very high0 Ų060.2 Ų60.20%029%0.292CS..Hα-helixtrans-59.5-37.7176.800000112.5F293 F353 F354 N359 S365 V366 L367 L377F293-A363 HydrophobicContact CB-CB 4.38Å; F293-A363 HydrophobicContact CD1-CB 3.61Å; F293-A363 HydrophobicContact CD2-CB 3.68Å; F293-A363 HydrophobicContact CE1-CB 3.77Å; F293-A363 HydrophobicContact CE2-CB 3.87Å; F293-A363 HydrophobicContact CG-CB 3.56Å; F293-A363 HydrophobicContact CZ-CB 3.9Å; F353-A363 HydrophobicContact CE1-CB 4.24Å; F354-A363 HydrophobicContact CE1-CB 3.86Å; N359-A363 VanDerWaalsContact O-CB 3.25Å; N359-A363 WeakPolarHBondContact O-CB 3.33Å; N359-A363 PolarHBondContact O-N 3.43Å; A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.05Å; A363-V366 PolarHBondContact O-N 2.85Å; A363-L367 WeakPolarHBondContact O-CG 3.08Å; A363-L367 PolarHBondContact O-N 3.02Å; A363-L377 HydrophobicContact CB-CD1 3.98Å
364K98.7Very high97.6Very high71 Ų7165.5 Ų65.531%0.30932%0.315SS..Hα-helixtrans-63-34.2175-168.3177-173.7178.50112.4R360 D361 V362 K368 I375 L377R360-K364 VanDerWaalsContact O-CB 3.22Å; R360-K364 WeakPolarHBondContact O-CB 3.41Å; R360-K364 PolarHBondContact O-N 2.91Å; D361-K364 WeakPolarHBondContact O-CB 3.13Å; D361-K364 PolarHBondContact O-N 3.22Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 3.42Å; K364-K368 VanDerWaalsContact O-CG 3.28Å; K364-K368 WeakPolarHBondContact O-CG 3.48Å; K364-K368 PolarHBondContact O-N 2.81Å; K364-I375 HydrophobicContact CG-CG2 3.97Å; K364-L377 HydrophobicContact CB-CD1 3.87Å
365S98.4Very high97.6Very high46 Ų4666.5 Ų66.532%0.32232%0.32SS..Hα-helixtrans-71.6-47173.8-670000111.7D361 V362 A363 L367 K368 E369D361-S365 PolarHBondContact O-N 2.85Å; D361-S365 PolarHBondContact O-OG 3.19Å; V362-S365 PolarHBondContact O-N 3.42Å; A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.05Å; S365-L367 VanDerWaalsContact C-N 3.31Å; S365-L367 PolarHBondContact O-N 2.9Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 3.2Å; S365-E369 WeakPolarHBondContact O-CG 3.44Å; S365-E369 PolarHBondContact O-N 3.33Å
366V98.7Very high97.6Very high1 Ų165.9 Ų65.91%0.00632%0.315CS..Hα-helixtrans-54.7-45.6174.3177.20000111.6R290 F293 E294 L297 V362 A363 K368 E369 R370R290-V366 HydrophobicContact CG-CG2 3.81Å; F293-V366 HydrophobicContact CD1-CB 3.79Å; F293-V366 HydrophobicContact CD1-CG1 3.87Å; F293-V366 HydrophobicContact CD1-CG2 4.18Å; F293-V366 HydrophobicContact CE1-CB 4.06Å; F293-V366 HydrophobicContact CE1-CG1 4.05Å; E294-V366 HydrophobicContact CG-CG1 3.76Å; E294-V366 HydrophobicContact CG-CG2 4.33Å; L297-V366 HydrophobicContact CD2-CG1 3.98Å; V362-V366 PolarHBondContact O-N 2.87Å; A363-V366 PolarHBondContact O-N 2.85Å; V366-K368 PolarHBondContact O-N 3.06Å; V366-E369 PolarHBondContact O-N 2.85Å; V366-R370 HydrophobicContact CG1-CG 4.5Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 2.85Å
367L98.5Very high97.7Very high0 Ų061.2 Ų61.20%030%0.298CS..Hα-helixtrans-62.4-38.1177.4-68.9172.4000112.6F293 L297 A363 S365 L372 I375 L377 I409 M411F293-L367 HydrophobicContact CE1-CD2 4.06Å; F293-L367 HydrophobicContact CE1-CG 3.87Å; F293-L367 HydrophobicContact CZ-CD1 4.22Å; F293-L367 HydrophobicContact CZ-CD2 4Å; F293-L367 HydrophobicContact CZ-CG 3.99Å; L297-L367 HydrophobicContact CD1-CD2 3.81Å; L297-L367 HydrophobicContact CD2-CD2 4.22Å; A363-L367 WeakPolarHBondContact O-CG 3.08Å; A363-L367 PolarHBondContact O-N 3.02Å; S365-L367 VanDerWaalsContact C-N 3.31Å; S365-L367 PolarHBondContact O-N 2.9Å; L367-L372 HydrophobicContact CB-CD1 4.15Å; L367-L372 HydrophobicContact CD2-CD1 3.55Å; L367-L372 HydrophobicContact CG-CD1 4.42Å; L367-L372 VanDerWaalsContact O-CB 3.26Å; L367-L372 WeakPolarHBondContact O-CB 3.39Å; L367-L372 PolarHBondContact O-N 2.85Å; L367-I375 HydrophobicContact CB-CD1 3.57Å; L367-I375 HydrophobicContact CB-CG1 4.16Å; L367-I375 HydrophobicContact CB-CG2 4.37Å; L367-I375 HydrophobicContact CD1-CG2 3.79Å; L367-L377 HydrophobicContact CD1-CD1 4Å; L367-I409 HydrophobicContact CD1-CG2 4.04Å; L367-M411 HydrophobicContact CD1-SD 4.33Å; L367-M411 HydrophobicContact CD2-SD 4.17Å
368K98.1Very high97.6Very high118 Ų11857.2 Ų57.251%0.51328%0.279SS..Hα-helixtrans-65.2-43.3174.2-69165.5-168162.30111.6K364 S365 V366 R370 G371 I375K364-K368 VanDerWaalsContact O-CG 3.28Å; K364-K368 WeakPolarHBondContact O-CG 3.48Å; K364-K368 PolarHBondContact O-N 2.81Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 3.2Å; V366-K368 PolarHBondContact O-N 3.06Å; K368-R370 VanDerWaalsContact C-N 3.3Å; K368-R370 PolarHBondContact O-N 2.94Å; K368-G371 WeakPolarHBondContact O-CA 3.34Å; K368-G371 PolarHBondContact O-N 2.9Å; K368-I375 HydrophobicContact CB-CD1 4.34Å; K368-I375 HydrophobicContact CG-CD1 3.72Å
369E97.6Very high97.5Very high114 Ų11456.4 Ų56.453%0.53328%0.277SS..Hα-helixtrans-65.5-34.9-179.1-69.1166.8-134.100111.5R290 S365 V366 G371R290-E369 IonicContact CZ-OE1 3.55Å; R290-E369 IonicContact CZ-OE2 2.64Å; R290-E369 VanDerWaalsContact NH1-CD 3.29Å; R290-E369 IonicContact NH1-OE1 2.88Å; R290-E369 PolarHBondContact NH1-OE1 3.42Å; R290-E369 IonicContact NH1-OE2 3.03Å; R290-E369 PolarHBondContact NH1-OE2 3.05Å; R290-E369 IonicContact NH2-OE2 3.06Å; R290-E369 PolarHBondContact NH2-OE2 3.09Å; S365-E369 WeakPolarHBondContact O-CG 3.44Å; S365-E369 PolarHBondContact O-N 3.33Å; V366-E369 PolarHBondContact O-N 2.85Å; E369-G371 PolarHBondContact O-N 3.24Å; E369-G371 VanDerWaalsContact O-N 3.16Å
370R96.9Very high97.3Very high126 Ų12659.1 Ų59.148%0.47529%0.289SS..THydrogen-bonded Turntrans-73.210.9167.4-61.1-59.4-167.696.35.5113.8L297 E298 V366 K368L297-R370 HydrophobicContact CD2-CG 4.1Å; E298-R370 IonicContact OE1-CZ 2.79Å; E298-R370 IonicContact OE1-NH1 3.64Å; E298-R370 PolarHBondContact OE1-NH1 2.91Å; E298-R370 IonicContact OE1-NH2 3.85Å; E298-R370 PolarHBondContact OE1-NH2 2.7Å; V366-R370 HydrophobicContact CG1-CG 4.5Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 2.85Å; K368-R370 VanDerWaalsContact C-N 3.3Å; K368-R370 PolarHBondContact O-N 2.94Å
371G96Very high97Very high60 Ų6058.8 Ų58.862%0.61930%0.299SS*.THydrogen-bonded Turntrans85.96.2170.700000116.3K368 E369K368-G371 WeakPolarHBondContact O-CA 3.34Å; K368-G371 PolarHBondContact O-N 2.9Å; E369-G371 PolarHBondContact O-N 3.24Å; E369-G371 VanDerWaalsContact O-N 3.16Å
372L97.1Very high96.8Very high22 Ų2255.2 Ų55.212%0.11528%0.279CS..  trans-82.2145.7-173.2-56.3166.3000112.5M305 L367 I375 M411 W413M305-L372 HydrophobicContact CE-CD1 3.8Å; M305-L372 HydrophobicContact CE-CD2 3.68Å; M305-L372 HydrophobicContact CE-CG 4.4Å; M305-L372 HydrophobicContact SD-CD1 4.44Å; L367-L372 HydrophobicContact CB-CD1 4.15Å; L367-L372 HydrophobicContact CD2-CD1 3.55Å; L367-L372 HydrophobicContact CG-CD1 4.42Å; L367-L372 VanDerWaalsContact O-CB 3.26Å; L367-L372 WeakPolarHBondContact O-CB 3.39Å; L367-L372 PolarHBondContact O-N 2.85Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CB-CG1 4.23Å; L372-I375 VanDerWaalsContact O-CD1 3.27Å; L372-I375 WeakPolarHBondContact O-CD1 3.34Å; L372-M411 HydrophobicContact CB-CB 4.44Å; L372-M411 HydrophobicContact CD1-CB 4.49Å; L372-M411 HydrophobicContact CD1-CG 4.24Å; L372-M411 HydrophobicContact CD1-SD 4.45Å; L372-W413 HydrophobicContact CD2-CB 4.13Å
373K95.1Very high96.5Very high89 Ų8954.4 Ų54.439%0.38727%0.274SS..EExtended strand (participates in β ladder)trans-111.3171.4-178.4-69.4-173.9169.7-169.60111.7I375 S412 E416K373-I375 PolarHBondContact O-N 2.94Å; K373-S412 PolarHBondContact N-O 2.69Å; K373-S412 PolarHBondContact O-N 2.81Å; K373-E416 IonicContact NZ-OE2 2.63Å; K373-E416 PolarHBondContact NZ-OE2 2.69Å
374K95.3Very high96.1Very high119 Ų11954.5 Ų54.552%0.51728%0.275SS..EExtended strand (participates in β ladder)trans55.321.3175.5-58.5176.1176.3171.70114.8R376 E414K374-R376 PolarHBondContact O-N 3.41Å; K374-E414 IonicContact NZ-OE2 2.62Å; K374-E414 PolarHBondContact NZ-OE2 3.29Å
375I97.6Very high95.6Very high21 Ų2156.3 Ų56.311%0.10828%0.281CS..EExtended strand (participates in β ladder)trans-64.4116-168.9-56.6153.6000112K364 L367 K368 L372 K373 L377 R410 M411K364-I375 HydrophobicContact CG-CG2 3.97Å; L367-I375 HydrophobicContact CB-CD1 3.57Å; L367-I375 HydrophobicContact CB-CG1 4.16Å; L367-I375 HydrophobicContact CB-CG2 4.37Å; L367-I375 HydrophobicContact CD1-CG2 3.79Å; K368-I375 HydrophobicContact CB-CD1 4.34Å; K368-I375 HydrophobicContact CG-CD1 3.72Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CB-CG1 4.23Å; L372-I375 VanDerWaalsContact O-CD1 3.27Å; L372-I375 WeakPolarHBondContact O-CD1 3.34Å; K373-I375 PolarHBondContact O-N 2.94Å; I375-L377 HydrophobicContact CG2-CD1 4.28Å; I375-L377 HydrophobicContact CG2-CG 4.49Å; I375-R410 CarbonylContact C-O 3.58Å; I375-R410 VanDerWaalsContact CA-O 3.29Å; I375-R410 WeakPolarHBondContact CA-O 3.4Å; I375-M411 HydrophobicContact CG1-CB 4.15Å
376R97Very high95.2Very high116 Ų11656.8 Ų56.844%0.43828%0.277SS..EExtended strand (participates in β ladder)trans-114.1129.9166.7-72.1173.456.4-168.5-6.4109.2K374 E380 F408 R410K374-R376 PolarHBondContact O-N 3.41Å; R376-E380 IonicContact CZ-OE1 2.58Å; R376-E380 IonicContact NH2-OE1 2.75Å; R376-E380 PolarHBondContact NH2-OE1 2.89Å; R376-E380 IonicContact NH2-OE2 2.64Å; R376-F408 HydrophobicContact CB-CE2 3.81Å; R376-F408 HydrophobicContact CB-CZ 4.26Å; R376-R410 HydrophobicContact CB-CB 4.35Å; R376-R410 PolarHBondContact N-O 3.48Å; R376-R410 PolarHBondContact O-N 2.77Å
377L97.8Very high94.6Very high27 Ų2761.1 Ų61.114%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-131.4128.9174.1-88.1161.3000107.1F354 R360 A363 K364 L367 I375 I409F354-L377 HydrophobicContact CD1-CD2 4.16Å; F354-L377 HydrophobicContact CE1-CD2 3.55Å; F354-L377 HydrophobicContact CZ-CD2 3.81Å; R360-L377 HydrophobicContact CB-CB 4.37Å; R360-L377 HydrophobicContact CG-CB 4.42Å; R360-L377 WeakPolarHBondContact O-CD1 3.5Å; A363-L377 HydrophobicContact CB-CD1 3.98Å; K364-L377 HydrophobicContact CB-CD1 3.87Å; L367-L377 HydrophobicContact CD1-CD1 4Å; I375-L377 HydrophobicContact CG2-CD1 4.28Å; I375-L377 HydrophobicContact CG2-CG 4.49Å; L377-I409 HydrophobicContact CD2-CB 4.1Å; L377-I409 HydrophobicContact CD2-CG1 3.82Å; L377-I409 HydrophobicContact CD2-CG2 3.85Å; L377-I409 HydrophobicContact CG-CG2 4.29Å
378G96.4Very high93.9Very high9 Ų966.2 Ų66.29%0.09332%0.319CS..EExtended strand (participates in β ladder)trans-170.3-166.3-17500000112.2P407 F408G378-P407 VanDerWaalsContact O-CA 3.24Å; G378-P407 WeakPolarHBondContact O-CA 3.33Å; G378-F408 VanDerWaalsContact C-CD1 3.48Å; G378-F408 VanDerWaalsContact C-CE1 3.42Å; G378-F408 PolarHBondContact N-O 2.63Å; G378-F408 WeakPolarHBondContact O-CD1 3.39Å; G378-F408 PolarHBondContact O-N 3.29Å
379I96.1Very high93.2Very high68 Ų6863.3 Ų63.335%0.34931%0.311SS..EExtended strand (participates in β ladder)trans-128.6121.3173.7-63.4168.1000105.9Q405 R406 P407I379-Q405 HydrophobicContact CG2-CB 3.9Å; I379-R406 WeakPolarHBondContact CA-O 3.16Å; I379-P407 HydrophobicContact CG1-CG 4.47Å
380E93.1Very high92.4Very high84 Ų8462.5 Ų62.539%0.39331%0.306SS..EExtended strand (participates in β ladder)trans-127.8167.8-179.3-80175.2-156.900109.6R376 R406 F408R376-E380 IonicContact CZ-OE1 2.58Å; R376-E380 IonicContact NH2-OE1 2.75Å; R376-E380 PolarHBondContact NH2-OE1 2.89Å; R376-E380 IonicContact NH2-OE2 2.64Å; E380-R406 PolarHBondContact N-O 2.88Å; E380-R406 PolarHBondContact O-N 2.89Å; E380-F408 HydrophobicContact CB-CD1 3.89Å; E380-F408 HydrophobicContact CB-CE1 4.13Å; E380-F408 HydrophobicContact CG-CD1 3.81Å; E380-F408 HydrophobicContact CG-CE1 3.5Å; E380-F408 HydrophobicContact CG-CZ 4.32Å; E380-F408 WeakPolarHBondContact OE1-CE1 3.48Å; E380-F408 WeakPolarHBondContact OE1-CZ 3.46Å
381G93.7Very high91.4Very high36 Ų3663.8 Ų63.837%0.37132%0.315SS..EExtended strand (participates in β ladder)trans-86114-178.900000111.5Y403G381-Y403 WeakPolarHBondContact O-CD1 3.31Å
382Y93.3Very high90.5Very high9 Ų967.8 Ų67.84%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-98.9131.9178.6-167.3-101.3000111.8V319 L321 V327 W329 M337 I344 Y403 V404V319-Y382 HydrophobicContact CB-CD2 4.07Å; V319-Y382 HydrophobicContact CB-CE2 4.05Å; V319-Y382 HydrophobicContact CG1-CD2 3.7Å; V319-Y382 HydrophobicContact CG1-CE2 4.09Å; V319-Y382 HydrophobicContact CG1-CG 3.92Å; V319-Y382 HydrophobicContact CG2-CD2 3.73Å; V319-Y382 HydrophobicContact CG2-CE2 3.79Å; L321-Y382 HydrophobicContact CD1-CE1 4.31Å; L321-Y382 HydrophobicContact CD2-CD1 4.01Å; L321-Y382 HydrophobicContact CD2-CE1 4.41Å; V327-Y382 HydrophobicContact CG1-CE1 4.27Å; V327-Y382 HydrophobicContact CG2-CE1 4.03Å; W329-Y382 HydrophobicContact CZ2-CE1 4.07Å; W329-Y382 HydrophobicContact CZ2-CE2 4.36Å; W329-Y382 AromaticContact CZ2-CZ 3.68Å; W329-Y382 VanDerWaalsContact CZ2-OH 3.31Å; W329-Y382 WeakPolarHBondContact CZ2-OH 3.31Å; M337-Y382 HydrophobicContact CE-CD2 4.47Å; M337-Y382 HydrophobicContact CE-CE2 3.8Å; M337-Y382 HydrophobicContact SD-CE2 4.29Å; I344-Y382 VanDerWaalsContact CD1-OH 3.31Å; I344-Y382 WeakPolarHBondContact CD1-OH 3.35Å; Y382-Y403 WeakPolarHBondContact O-CA 3.29Å; Y382-V404 PolarHBondContact N-O 3.28Å; Y382-V404 PolarHBondContact O-N 3.16Å
383P92.8Very high89.4Confident6 Ų673 Ų734%0.03935%0.347CS..EExtended strand (participates in β ladder)trans-73.6129.3178.929.6-32.6000111W329 P335 M337 Y401 N402 Y403W329-P383 HydrophobicContact CZ2-CG 4.09Å; W329-P383 PolarHBondContact NE1-O 3.24Å; P335-P383 HydrophobicContact CB-CB 3.77Å; P335-P383 HydrophobicContact CB-CG 3.71Å; P335-P383 HydrophobicContact CG-CB 4.08Å; P335-P383 HydrophobicContact CG-CG 3.79Å; M337-P383 HydrophobicContact SD-CG 3.7Å; P383-Y401 HydrophobicContact CB-CD1 4.28Å; P383-Y401 HydrophobicContact CB-CG 4.28Å; P383-N402 WeakPolarHBondContact CA-O 3.43Å; P383-Y403 HydrophobicContact CB-CD1 4.25Å; P383-Y403 HydrophobicContact CB-CE1 3.8Å; P383-Y403 HydrophobicContact CG-CE1 4.25Å
384T90.2Very high88.4Confident3 Ų373.4 Ų73.42%0.01838%0.376CS..EExtended strand (participates in β ladder)trans-104.9-72.6-178.539.70000112V326 D328 W329 N402 V404V326-T384 WeakPolarHBondContact O-CB 3.46Å; D328-T384 CarbonylContact C-O 3.5Å; D328-T384 PolarHBondContact N-O 3.16Å; W329-T384 VanDerWaalsContact CD1-O 3.32Å; T384-N402 PolarHBondContact N-O 3.28Å; T384-N402 PolarHBondContact OG1-ND2 3.02Å; T384-N402 PolarHBondContact OG1-O 2.98Å; T384-V404 HydrophobicContact CG2-CB 4.43Å; T384-V404 HydrophobicContact CG2-CG1 4.04Å; T384-V404 HydrophobicContact CG2-CG2 3.51Å
385Y88.7Confident87.5Confident109 Ų10969.7 Ų69.743%0.42737%0.371SS..EExtended strand (participates in β ladder)trans-129.7155.3-178.160.4-95.9000112.2D328 E387 Y401 N402D328-Y385 WeakPolarHBondContact O-CA 3.31Å; Y385-E387 HydrophobicContact CE2-CG 4.38Å; Y385-E387 PolarHBondContact O-N 2.9Å; Y385-Y401 VanDerWaalsContact C-CD1 3.44Å; Y385-Y401 CarbonylContact O-C 3.59Å; Y385-Y401 WeakPolarHBondContact O-CA 3.31Å; Y385-Y401 WeakPolarHBondContact O-CD1 3.29Å; Y385-N402 HydrophobicContact CD1-CB 4.27Å; Y385-N402 HydrophobicContact CD2-CB 4.13Å; Y385-N402 HydrophobicContact CE1-CB 3.89Å; Y385-N402 WeakPolarHBondContact CE1-ND2 3.42Å; Y385-N402 HydrophobicContact CE2-CB 3.73Å; Y385-N402 HydrophobicContact CG-CB 4.37Å; Y385-N402 PolarHBondContact O-N 3.16Å
386K88.9Confident86.5Confident55 Ų5579.5 Ų79.524%0.23941%0.407CS..EExtended strand (participates in β ladder)trans-74.5111.7178.9177.3173.9170.4-174.90110.4D330 V399 Y401D330-K386 HydrophobicContact CB-CB 4.28Å; D330-K386 HydrophobicContact CB-CD 3.37Å; D330-K386 HydrophobicContact CB-CG 4.48Å; D330-K386 IonicContact OD1-NZ 2.73Å; D330-K386 PolarHBondContact OD1-NZ 3.42Å; D330-K386 WeakPolarHBondContact OD2-CD 3.46Å; D330-K386 IonicContact OD2-NZ 3.62Å; D330-K386 PolarHBondContact OD2-NZ 3.04Å; K386-V399 HydrophobicContact CD-CG1 4Å; K386-V399 HydrophobicContact CG-CG1 3.91Å; K386-Y401 HydrophobicContact CB-CD1 4.41Å; K386-Y401 HydrophobicContact CB-CE1 3.97Å
387E86Confident85.6Confident92 Ų9276.3 Ų76.343%0.4340%0.401SS..EExtended strand (participates in β ladder)trans-73.9-48.8176.8-68-172152.400112.3Y385 I400 N402Y385-E387 HydrophobicContact CE2-CG 4.38Å; Y385-E387 PolarHBondContact O-N 2.9Å; E387-I400 WeakPolarHBondContact CB-O 3.28Å; E387-I400 PolarHBondContact N-O 3.12Å; E387-I400 WeakPolarHBondContact OE2-CG2 3.46Å; E387-N402 HydrophobicContact CG-CB 4.05Å
388K84.4Confident84.8Confident107 Ų10778 Ų7847%0.46541%0.408SS..EExtended strand (participates in β ladder)trans-165.6149-16854.3-175.6169.8-78.20113.4I400K388-I400 HydrophobicContact CD-CD1 4.34Å; K388-I400 HydrophobicContact CG-CB 3.92Å; K388-I400 HydrophobicContact CG-CD1 4.15Å; K388-I400 HydrophobicContact CG-CG1 4.49Å; K388-I400 HydrophobicContact CG-CG2 4.38Å; K388-I400 PolarHBondContact N-O 2.98Å; K388-I400 PolarHBondContact O-N 2.73Å
389V82.3Confident84.3Confident57 Ų5779.4 Ų79.435%0.34542%0.415SS..EExtended strand (participates in β ladder)trans-102.1108.4168.5-176.30000109K391 P397 V399V389-K391 HydrophobicContact CG1-CG 4.25Å; V389-K391 PolarHBondContact O-N 3.19Å; V389-P397 HydrophobicContact CG1-CB 3.66Å; V389-V399 HydrophobicContact CG1-CG2 4.25Å; V389-V399 HydrophobicContact CG2-CG2 4.14Å
390K80.9Confident83.9Confident97 Ų9778.6 Ų78.642%0.42241%0.411SS..EExtended strand (participates in β ladder)trans-93.198.8178.9179.1-176.5166.8-141.50109.7R392 E398 I400K390-R392 PolarHBondContact O-N 2.98Å; K390-E398 HydrophobicContact CB-CB 4.2Å; K390-E398 WeakPolarHBondContact CD-OE2 3.49Å; K390-E398 WeakPolarHBondContact CE-OE2 3.24Å; K390-E398 PolarHBondContact N-O 2.76Å; K390-E398 IonicContact NZ-OE2 3.58Å; K390-E398 PolarHBondContact NZ-OE2 2.64Å; K390-E398 WeakPolarHBondContact O-CB 3.5Å; K390-E398 PolarHBondContact O-N 2.75Å; K390-I400 HydrophobicContact CB-CD1 4.18Å; K390-I400 HydrophobicContact CD-CD1 4.16Å
391K77.1Confident83.8Confident154 Ų15475.3 Ų75.367%0.6740%0.395SS*.EExtended strand (participates in β ladder)trans-82114.1172.9-66.2-176.2179179.80109.9V389 P397V389-K391 HydrophobicContact CG1-CG 4.25Å; V389-K391 PolarHBondContact O-N 3.19Å; K391-P397 HydrophobicContact CG-CB 4.29Å
392R76.1Confident83.7Confident144 Ų14475.4 Ų75.454%0.54339%0.387SS..  trans-80.7140.9170-168.8-178.7-62.3-120.16.3108.8K390 G394 G395 E398K390-R392 PolarHBondContact O-N 2.98Å; R392-G394 PolarHBondContact O-N 2.79Å; R392-G394 VanDerWaalsContact O-N 3.16Å; R392-G395 PolarHBondContact O-N 3.06Å; R392-E398 IonicContact CZ-OE1 3.19Å; R392-E398 IonicContact NE-OE1 2.84Å; R392-E398 PolarHBondContact NE-OE1 2.58Å; R392-E398 IonicContact NH2-OE1 2.69Å; R392-E398 PolarHBondContact NH2-OE1 2.75Å; R392-E398 IonicContact NH2-OE2 3.68Å
393P74.1Confident83.7Confident132 Ų13281 Ų8186%0.85741%0.409SS*.THydrogen-bonded Turntrans-54.8121.8177.5-26.735.3000111.6G395P393-G395 PolarHBondContact O-N 3.16Å
394G73.8Confident83.8Confident97 Ų9782 Ų82100%142%0.415SS*.THydrogen-bonded Turntrans70.63.9-176.300000116.3R392R392-G394 PolarHBondContact O-N 2.79Å; R392-G394 VanDerWaalsContact O-N 3.16Å
395G77.5Confident84.1Confident40 Ų4087.1 Ų87.141%0.41244%0.439SS..SBendtrans-100.2163.6-179.200000114R392 P393R392-G395 PolarHBondContact O-N 3.06Å; P393-G395 PolarHBondContact O-N 3.16Å
396R76.8Confident84.5Confident228 Ų22883.5 Ų83.586%0.8642%0.424SS*.PPolyproline II helixtrans-61.5152.6163.4-69.8-175.6177.5-177.6-1.4110E398R396-E398 PolarHBondContact O-N 3.07Å
397P77.2Confident84.9Confident49 Ų4981 Ų8132%0.31841%0.413SS..EExtended strand (participates in β ladder)trans-62.4125.8174.8-18.731.6000111.6Y333 V389 K391Y333-P397 HydrophobicContact CE1-CB 4.42Å; Y333-P397 HydrophobicContact CE1-CG 4.35Å; V389-P397 HydrophobicContact CG1-CB 3.66Å; K391-P397 HydrophobicContact CG-CB 4.29Å
398E81.6Confident85.4Confident62 Ų6277.1 Ų77.129%0.2940%0.395SS..EExtended strand (participates in β ladder)trans-87.2108.6168.6-66.6167-160.400107.8K390 R392 R396K390-E398 HydrophobicContact CB-CB 4.2Å; K390-E398 WeakPolarHBondContact CD-OE2 3.49Å; K390-E398 WeakPolarHBondContact CE-OE2 3.24Å; K390-E398 PolarHBondContact N-O 2.76Å; K390-E398 IonicContact NZ-OE2 3.58Å; K390-E398 PolarHBondContact NZ-OE2 2.64Å; K390-E398 WeakPolarHBondContact O-CB 3.5Å; K390-E398 PolarHBondContact O-N 2.75Å; R392-E398 IonicContact CZ-OE1 3.19Å; R392-E398 IonicContact NE-OE1 2.84Å; R392-E398 PolarHBondContact NE-OE1 2.58Å; R392-E398 IonicContact NH2-OE1 2.69Å; R392-E398 PolarHBondContact NH2-OE1 2.75Å; R392-E398 IonicContact NH2-OE2 3.68Å; R396-E398 PolarHBondContact O-N 3.07Å
399V85.9Confident86Confident39 Ų3972 Ų7224%0.23637%0.373CS..EExtended strand (participates in β ladder)trans-91.4133.2177.2-176.80000110.1Y333 K386 V389 Y401Y333-V399 HydrophobicContact CD1-CG2 3.73Å; Y333-V399 HydrophobicContact CD2-CG2 4.31Å; Y333-V399 HydrophobicContact CG-CG2 3.64Å; K386-V399 HydrophobicContact CD-CG1 4Å; K386-V399 HydrophobicContact CG-CG1 3.91Å; V389-V399 HydrophobicContact CG1-CG2 4.25Å; V389-V399 HydrophobicContact CG2-CG2 4.14Å; V399-Y401 HydrophobicContact CG1-CD2 4.23Å; V399-Y401 HydrophobicContact CG1-CE2 3.82Å
400I88Confident86.7Confident51 Ų5171.2 Ų71.226%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-119.2122.5-173.8-61.8172.4000108.5E387 K388 K390E387-I400 WeakPolarHBondContact CB-O 3.28Å; E387-I400 PolarHBondContact N-O 3.12Å; E387-I400 WeakPolarHBondContact OE2-CG2 3.46Å; K388-I400 HydrophobicContact CD-CD1 4.34Å; K388-I400 HydrophobicContact CG-CB 3.92Å; K388-I400 HydrophobicContact CG-CD1 4.15Å; K388-I400 HydrophobicContact CG-CG1 4.49Å; K388-I400 HydrophobicContact CG-CG2 4.38Å; K388-I400 PolarHBondContact N-O 2.98Å; K388-I400 PolarHBondContact O-N 2.73Å; K390-I400 HydrophobicContact CB-CD1 4.18Å; K390-I400 HydrophobicContact CD-CD1 4.16Å
401Y90.9Very high87.4Confident14 Ų1466.6 Ų66.66%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-101152176.7-82.4-92.7000111.2D330 Y333 P335 P383 Y385 K386 V399 Y403D330-Y401 WeakPolarHBondContact CB-OH 3.45Å; D330-Y401 PolarHBondContact N-OH 2.69Å; D330-Y401 VanDerWaalsContact N-OH 3.16Å; Y333-Y401 WeakPolarHBondContact O-CE2 3.42Å; Y333-Y401 PolarHBondContact O-OH 2.68Å; P335-Y401 HydrophobicContact CB-CD1 4.46Å; P335-Y401 HydrophobicContact CB-CD2 3.99Å; P335-Y401 HydrophobicContact CB-CE1 4.43Å; P335-Y401 HydrophobicContact CB-CE2 3.94Å; P335-Y401 HydrophobicContact CB-CG 4.26Å; P335-Y401 HydrophobicContact CG-CE1 4.37Å; P383-Y401 HydrophobicContact CB-CD1 4.28Å; P383-Y401 HydrophobicContact CB-CG 4.28Å; Y385-Y401 VanDerWaalsContact C-CD1 3.44Å; Y385-Y401 CarbonylContact O-C 3.59Å; Y385-Y401 WeakPolarHBondContact O-CA 3.31Å; Y385-Y401 WeakPolarHBondContact O-CD1 3.29Å; K386-Y401 HydrophobicContact CB-CD1 4.41Å; K386-Y401 HydrophobicContact CB-CE1 3.97Å; V399-Y401 HydrophobicContact CG1-CD2 4.23Å; V399-Y401 HydrophobicContact CG1-CE2 3.82Å; Y401-Y403 VanDerWaalsContact O-CD2 3.24Å; Y401-Y403 WeakPolarHBondContact O-CD2 3.31Å; Y401-Y403 WeakPolarHBondContact O-CE2 3.42Å
402N91.6Very high88.3Confident38 Ų3859.3 Ų59.320%0.20331%0.312CS..EExtended strand (participates in β ladder)trans-76.9137.2164.8174.957.1000109.8P383 T384 Y385 E387P383-N402 WeakPolarHBondContact CA-O 3.43Å; T384-N402 PolarHBondContact N-O 3.28Å; T384-N402 PolarHBondContact OG1-ND2 3.02Å; T384-N402 PolarHBondContact OG1-O 2.98Å; Y385-N402 HydrophobicContact CD1-CB 4.27Å; Y385-N402 HydrophobicContact CD2-CB 4.13Å; Y385-N402 HydrophobicContact CE1-CB 3.89Å; Y385-N402 WeakPolarHBondContact CE1-ND2 3.42Å; Y385-N402 HydrophobicContact CE2-CB 3.73Å; Y385-N402 HydrophobicContact CG-CB 4.37Å; Y385-N402 PolarHBondContact O-N 3.16Å; E387-N402 HydrophobicContact CG-CB 4.05Å
403Y93Very high89.2Confident127 Ų12755.4 Ų55.450%0.49830%0.298SS..EExtended strand (participates in β ladder)trans-119.6122.8-176.9-75.9-92.4000111.8G381 Y382 P383 Y401G381-Y403 WeakPolarHBondContact O-CD1 3.31Å; Y382-Y403 WeakPolarHBondContact O-CA 3.29Å; P383-Y403 HydrophobicContact CB-CD1 4.25Å; P383-Y403 HydrophobicContact CB-CE1 3.8Å; P383-Y403 HydrophobicContact CG-CE1 4.25Å; Y401-Y403 VanDerWaalsContact O-CD2 3.24Å; Y401-Y403 WeakPolarHBondContact O-CD2 3.31Å; Y401-Y403 WeakPolarHBondContact O-CE2 3.42Å
404V94.5Very high90Very high26 Ų2653 Ų5316%0.15828%0.275CS..EExtended strand (participates in β ladder)trans-102.5139.2175.6-66.80000110.7Y382 T384 R406Y382-V404 PolarHBondContact N-O 3.28Å; Y382-V404 PolarHBondContact O-N 3.16Å; T384-V404 HydrophobicContact CG2-CB 4.43Å; T384-V404 HydrophobicContact CG2-CG1 4.04Å; T384-V404 HydrophobicContact CG2-CG2 3.51Å; V404-R406 HydrophobicContact CB-CG 4.31Å; V404-R406 HydrophobicContact CG2-CG 3.66Å; V404-R406 PolarHBondContact O-N 3.18Å
405Q96.3Very high90.4Very high111 Ų11156.1 Ų56.152%0.51926%0.261SS..EExtended strand (participates in β ladder)trans-78.1114.7177-69-63.2-60.400109.7I379I379-Q405 HydrophobicContact CG2-CB 3.9Å
406R96.7Very high90.1Very high33 Ų3360.6 Ų60.613%0.12527%0.271CS..EExtended strand (participates in β ladder)trans-134.6143.1-172.1-68-68.5176.4-95.87111.8V319 V320 L321 D325 I379 E380 V404V319-R406 HydrophobicContact CG1-CB 4.02Å; V320-R406 WeakPolarHBondContact O-CD 3.48Å; L321-R406 HydrophobicContact CD2-CB 4.3Å; L321-R406 HydrophobicContact CD2-CG 3.69Å; D325-R406 VanDerWaalsContact CG-NH2 3.28Å; D325-R406 IonicContact OD1-CZ 3.07Å; D325-R406 IonicContact OD1-NE 2.76Å; D325-R406 PolarHBondContact OD1-NE 3.25Å; D325-R406 IonicContact OD1-NH2 3.59Å; D325-R406 PolarHBondContact OD1-NH2 2.7Å; D325-R406 IonicContact OD2-CZ 3.81Å; D325-R406 VanDerWaalsContact OD2-CZ 3.29Å; D325-R406 IonicContact OD2-NE 3.31Å; D325-R406 PolarHBondContact OD2-NE 2.73Å; D325-R406 IonicContact OD2-NH2 2.75Å; D325-R406 PolarHBondContact OD2-NH2 2.76Å; I379-R406 WeakPolarHBondContact CA-O 3.16Å; E380-R406 PolarHBondContact N-O 2.88Å; E380-R406 PolarHBondContact O-N 2.89Å; V404-R406 HydrophobicContact CB-CG 4.31Å; V404-R406 HydrophobicContact CG2-CG 3.66Å; V404-R406 PolarHBondContact O-N 3.18Å
407P97.9Very high89.3Confident2 Ų256.4 Ų56.41%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-61.6142.6172.9-21.132.8000111.4V320 Y351 F354 G378 I379V320-P407 HydrophobicContact CB-CB 4.22Å; V320-P407 PolarHBondContact N-O 2.69Å; Y351-P407 VanDerWaalsContact CD2-CD 3.46Å; Y351-P407 HydrophobicContact CD2-CG 3.96Å; Y351-P407 HydrophobicContact CE2-CG 4.46Å; F354-P407 HydrophobicContact CB-CB 3.58Å; F354-P407 HydrophobicContact CB-CG 3.72Å; F354-P407 HydrophobicContact CD2-CB 3.97Å; F354-P407 HydrophobicContact CG-CB 4.11Å; G378-P407 VanDerWaalsContact O-CA 3.24Å; G378-P407 WeakPolarHBondContact O-CA 3.33Å; I379-P407 HydrophobicContact CG1-CG 4.47Å
408F96.6Very high88.2Confident11 Ų1157.7 Ų57.75%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-129.4151.4171.377.3-83000110.6H317 I318 V319 R376 G378 E380H317-F408 AromaticContact NE2-CD2 3.48Å; H317-F408 WeakPolarHBondContact NE2-CD2 3.42Å; H317-F408 AromaticContact NE2-CG 3.86Å; I318-F408 CarbonylContact O-C 3.55Å; I318-F408 VanDerWaalsContact O-CA 3.23Å; I318-F408 WeakPolarHBondContact O-CA 3.48Å; V319-F408 HydrophobicContact CG2-CB 4.41Å; R376-F408 HydrophobicContact CB-CE2 3.81Å; R376-F408 HydrophobicContact CB-CZ 4.26Å; G378-F408 VanDerWaalsContact C-CD1 3.48Å; G378-F408 VanDerWaalsContact C-CE1 3.42Å; G378-F408 PolarHBondContact N-O 2.63Å; G378-F408 WeakPolarHBondContact O-CD1 3.39Å; G378-F408 PolarHBondContact O-N 3.29Å; E380-F408 HydrophobicContact CB-CD1 3.89Å; E380-F408 HydrophobicContact CB-CE1 4.13Å; E380-F408 HydrophobicContact CG-CD1 3.81Å; E380-F408 HydrophobicContact CG-CE1 3.5Å; E380-F408 HydrophobicContact CG-CZ 4.32Å; E380-F408 WeakPolarHBondContact OE1-CE1 3.48Å; E380-F408 WeakPolarHBondContact OE1-CZ 3.46Å
409I97.4Very high86.9Confident0 Ų064.2 Ų64.20%031%0.311CS..EExtended strand (participates in β ladder)trans-124.5117.9173.9-37.8176.2000107.1V301 H317 I318 F354 L367 L377 M411V301-I409 HydrophobicContact CG2-CD1 3.72Å; H317-I409 CarbonylContact C-O 3.57Å; H317-I409 WeakPolarHBondContact CA-O 3.39Å; I318-I409 HydrophobicContact CB-CB 4.39Å; I318-I409 PolarHBondContact N-O 3.49Å; I318-I409 PolarHBondContact O-N 2.75Å; F354-I409 HydrophobicContact CE2-CD1 3.73Å; F354-I409 HydrophobicContact CE2-CG1 3.98Å; F354-I409 HydrophobicContact CZ-CD1 3.72Å; F354-I409 HydrophobicContact CZ-CG1 4Å; L367-I409 HydrophobicContact CD1-CG2 4.04Å; L377-I409 HydrophobicContact CD2-CB 4.1Å; L377-I409 HydrophobicContact CD2-CG1 3.82Å; L377-I409 HydrophobicContact CD2-CG2 3.85Å; L377-I409 HydrophobicContact CG-CG2 4.29Å; I409-M411 HydrophobicContact CB-CE 3.97Å; I409-M411 HydrophobicContact CG2-CE 3.53Å; I409-M411 HydrophobicContact CG2-SD 3.62Å
410R95.9Very high85.3Confident40 Ų4065.9 Ų65.915%0.15133%0.325CS..EExtended strand (participates in β ladder)trans-116.2132.6164.1179.6177.1174.7172.29.7109.6E315 C316 E340 I375 R376E315-R410 VanDerWaalsContact CD-NH2 3.27Å; E315-R410 IonicContact OE1-CZ 2.69Å; E315-R410 IonicContact OE1-NE 3.06Å; E315-R410 IonicContact OE1-NH2 3.11Å; E315-R410 PolarHBondContact OE1-NH2 3.47Å; E315-R410 IonicContact OE2-CZ 3.63Å; E315-R410 VanDerWaalsContact OE2-CZ 3.31Å; E315-R410 IonicContact OE2-NE 2.7Å; E315-R410 PolarHBondContact OE2-NE 3.37Å; E315-R410 IonicContact OE2-NH2 2.88Å; E315-R410 PolarHBondContact OE2-NH2 3.28Å; E315-R410 VanDerWaalsContact OE2-NH2 3.07Å; C316-R410 VanDerWaalsContact O-CA 3.31Å; C316-R410 WeakPolarHBondContact O-CA 3.42Å; E340-R410 IonicContact OE1-CZ 3.55Å; E340-R410 IonicContact OE1-NH1 2.79Å; E340-R410 PolarHBondContact OE1-NH1 2.73Å; E340-R410 IonicContact OE1-NH2 3.71Å; E340-R410 PolarHBondContact OE1-NH2 2.89Å; E340-R410 IonicContact OE2-CZ 3.54Å; E340-R410 IonicContact OE2-NE 3.5Å; E340-R410 IonicContact OE2-NH1 2.81Å; E340-R410 PolarHBondContact OE2-NH1 3.32Å; E340-R410 IonicContact OE2-NH2 2.71Å; I375-R410 CarbonylContact C-O 3.58Å; I375-R410 VanDerWaalsContact CA-O 3.29Å; I375-R410 WeakPolarHBondContact CA-O 3.4Å; R376-R410 HydrophobicContact CB-CB 4.35Å; R376-R410 PolarHBondContact N-O 3.48Å; R376-R410 PolarHBondContact O-N 2.77Å
411M96.5Very high83.8Confident0 Ų074.4 Ų74.40%035%0.353CS..EExtended strand (participates in β ladder)trans-151.3157.7177.563.8-127.5118.800111.1V301 M305 E315 C316 I318 L367 L372 I375 I409V301-M411 HydrophobicContact CG1-CE 4.23Å; V301-M411 HydrophobicContact CG1-SD 4.34Å; M305-M411 HydrophobicContact CE-CG 4.42Å; M305-M411 HydrophobicContact CG-CE 4.32Å; M305-M411 HydrophobicContact SD-CE 4.28Å; M305-M411 HydrophobicContact SD-CG 4.28Å; M305-M411 HydrophobicContact SD-SD 3.81Å; E315-M411 CarbonylContact C-O 3.59Å; E315-M411 VanDerWaalsContact CA-O 3.31Å; E315-M411 WeakPolarHBondContact CA-O 3.36Å; E315-M411 VanDerWaalsContact CB-O 3.31Å; E315-M411 WeakPolarHBondContact CB-O 3.45Å; C316-M411 HydrophobicContact CB-CE 4.17Å; C316-M411 PolarHBondContact N-O 3.14Å; C316-M411 PolarHBondContact O-N 2.8Å; I318-M411 HydrophobicContact CD1-CE 3.7Å; I318-M411 HydrophobicContact CG1-CE 4.02Å; L367-M411 HydrophobicContact CD1-SD 4.33Å; L367-M411 HydrophobicContact CD2-SD 4.17Å; L372-M411 HydrophobicContact CB-CB 4.44Å; L372-M411 HydrophobicContact CD1-CB 4.49Å; L372-M411 HydrophobicContact CD1-CG 4.24Å; L372-M411 HydrophobicContact CD1-SD 4.45Å; I375-M411 HydrophobicContact CG1-CB 4.15Å; I409-M411 HydrophobicContact CB-CE 3.97Å; I409-M411 HydrophobicContact CG2-CE 3.53Å; I409-M411 HydrophobicContact CG2-SD 3.62Å
412S95.4Very high82.2Confident1 Ų181.3 Ų81.31%0.00739%0.386CS..EExtended strand (participates in β ladder)trans-130.5136.4-178.9179.90000111.7R314 K373 E414R314-S412 WeakPolarHBondContact O-CA 3.44Å; R314-S412 PolarHBondContact O-OG 3.42Å; K373-S412 PolarHBondContact N-O 2.69Å; K373-S412 PolarHBondContact O-N 2.81Å; S412-E414 WeakPolarHBondContact OG-CB 3.44Å; S412-E414 PolarHBondContact OG-N 2.93Å
413W95.6Very high80.6Confident63 Ų6384.4 Ų84.424%0.23941%0.406CS..  trans-10519.5166.356.787.2000110.9M305 A309 E313 R314 C316 L372 K415M305-W413 HydrophobicContact CB-CH2 4.44Å; M305-W413 HydrophobicContact CB-CZ3 4.07Å; M305-W413 HydrophobicContact CE-CE3 3.91Å; M305-W413 HydrophobicContact CE-CZ3 4.09Å; M305-W413 HydrophobicContact CG-CZ3 4.05Å; A309-W413 HydrophobicContact CB-CZ2 3.95Å; E313-W413 HydrophobicContact CB-CZ2 4.32Å; E313-W413 PolarHBondContact O-NE1 2.94Å; R314-W413 PolarHBondContact O-N 3.35Å; R314-W413 VanDerWaalsContact O-N 3.12Å; C316-W413 HydrophobicContact CB-CH2 3.69Å; C316-W413 HydrophobicContact CB-CZ3 3.57Å; L372-W413 HydrophobicContact CD2-CB 4.13Å; W413-K415 PolarHBondContact O-N 2.84Å
414E90.4Very high78.6Confident81 Ų8185.2 Ų85.238%0.37942%0.419SS..  trans-57.8111.4171.2-171-177.6-158.400108.7R314 K374 S412 E416R314-E414 HydrophobicContact CB-CB 3.96Å; R314-E414 HydrophobicContact CB-CG 4.27Å; R314-E414 PolarHBondContact O-N 2.9Å; K374-E414 IonicContact NZ-OE2 2.62Å; K374-E414 PolarHBondContact NZ-OE2 3.29Å; S412-E414 WeakPolarHBondContact OG-CB 3.44Å; S412-E414 PolarHBondContact OG-N 2.93Å; E414-E416 PolarHBondContact O-N 3.16Å
415K83.6Confident76.4Confident162 Ų16292.4 Ų92.470%0.70445%0.448SS*.  trans-68.382.4162.5-173-166175.3-157.50107.3W413 E417W413-K415 PolarHBondContact O-N 2.84Å; K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 IonicContact NZ-OE1 3.31Å; K415-E417 PolarHBondContact O-N 2.79Å
416E69.7Low74.4Confident134 Ų13495.5 Ų95.563%0.62646%0.463SS*.  trans-49.797158.9176.3-176.2-147.600107.1K373 E414K373-E416 IonicContact NZ-OE2 2.63Å; K373-E416 PolarHBondContact NZ-OE2 2.69Å; E414-E416 PolarHBondContact O-N 3.16Å
417E59.8Low72.6Confident140 Ų14099.1 Ų99.165%0.65449%0.492SS*.  trans-61.4143.2175.7-65.5-147.8124.500108.6K415 K419K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 IonicContact NZ-OE1 3.31Å; K415-E417 PolarHBondContact O-N 2.79Å; E417-K419 PolarHBondContact O-N 2.79Å
418G55.3Low70.2Confident77 Ų77105.6 Ų105.679%0.79453%0.531SS*.  trans-64.583.6-178.900000111.9S420G418-S420 PolarHBondContact O-N 3.09Å
419K54.8Low68.1Low198 Ų198114.2 Ų114.286%0.86157%0.568SS**  trans-63.858.8139.7-68.3-173.8-178.2177.80108.8E417 R421E417-K419 PolarHBondContact O-N 2.79Å; K419-R421 PolarHBondContact O-N 3.18Å
420S51.1Low66.1Low75 Ų75118.9 Ų118.952%0.52460%0.601SS.*  trans-45.8123.2144.5174.70000105.3G418 H422G418-S420 PolarHBondContact O-N 3.09Å; S420-H422 PolarHBondContact O-N 3.27Å
421R56.9Low64.3Low229 Ų229126.5 Ų126.586%0.86464%0.636SS**  trans-74.857.6171.2-59-179.7-170.1132.71.1108.3K419 V423K419-R421 PolarHBondContact O-N 3.18Å; R421-V423 PolarHBondContact O-N 3.4Å; R421-V423 VanDerWaalsContact O-N 3.09Å
422H58Low62.2Low160 Ų160130.7 Ų130.774%0.74167%0.665SS**  trans-46.6118.4150.8-85.7113000105.1S420 D424S420-H422 PolarHBondContact O-N 3.27Å; H422-D424 PolarHBondContact O-N 2.72Å
423V57.1Low60.2Low102 Ų102137.3 Ų137.362%0.61870%0.699SS**  trans-45.7116-160.2179.70000108.7R421 F425R421-V423 PolarHBondContact O-N 3.4Å; R421-V423 VanDerWaalsContact O-N 3.09Å; V423-F425 HydrophobicContact CB-CD2 4.41Å; V423-F425 HydrophobicContact CB-CE2 4.21Å; V423-F425 WeakPolarHBondContact O-CD2 3.33Å; V423-F425 PolarHBondContact O-N 2.98Å
424D51.8Low58.1Low144 Ų144139.2 Ų139.277%0.7772%0.718SS**  trans-58.794.6163.2-87.3-53.2000104.9H422 Q426H422-D424 PolarHBondContact O-N 2.72Å; D424-Q426 PolarHBondContact O-N 2.71Å
425F48.1Very low56.1Low178 Ų178141 Ų14178%0.78173%0.729SS**  trans-66.778.3163.3-75.3-78.4000105.1V423 C427V423-F425 HydrophobicContact CB-CD2 4.41Å; V423-F425 HydrophobicContact CB-CE2 4.21Å; V423-F425 WeakPolarHBondContact O-CD2 3.33Å; V423-F425 PolarHBondContact O-N 2.98Å; F425-C427 PolarHBondContact O-N 3.46Å; F425-C427 PolarHBondContact O-SG 2.72Å
426Q54.2Low54.6Low176 Ų176139.6 Ų139.682%0.82273%0.729SS**  trans-62.684.6169.5-178.6175.665.100105.3D424 V428D424-Q426 PolarHBondContact O-N 2.71Å; Q426-V428 PolarHBondContact O-N 2.79Å
427C58Low53.8Low109 Ų109137.3 Ų137.374%0.73673%0.733SS**  trans-52.5104.1-179.4-72.40000106.9F425 K429F425-C427 PolarHBondContact O-N 3.46Å; F425-C427 PolarHBondContact O-SG 2.72Å; C427-K429 PolarHBondContact O-N 2.7Å
428V48.3Very low53.5Low137 Ų137134 Ų13483%0.8373%0.729SS**  trans-55.5111.7179.9-177.30000105Q426 S430Q426-V428 PolarHBondContact O-N 2.79Å; V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 2.9Å
429K51.5Low53.3Low192 Ų192134.3 Ų134.384%0.83573%0.725SS**  trans-60.793.3-171.1-89.7-177.4172.2176.30109.4C427 K431C427-K429 PolarHBondContact O-N 2.7Å; K429-K431 PolarHBondContact O-N 3.22Å
430S56Low53.2Low99 Ų99128.9 Ų128.969%0.69272%0.717SS**  trans-57.9120.7171.338.40000106.9V428 S432V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 2.9Å; S430-S432 PolarHBondContact O-N 2.84Å
431K58.8Low53.1Low200 Ų200129.3 Ų129.387%0.8773%0.725SS**  trans-78.355.4-177.5-67.1-174.9178.5179.80111.2K429 I433K429-K431 PolarHBondContact O-N 3.22Å; K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 3.04Å
432S52.3Low52.9Low88 Ų88125.5 Ų125.562%0.61572%0.721SS**  trans-75.884.2166.554.40000109.1S430 T434S430-S432 PolarHBondContact O-N 2.84Å; S432-T434 VanDerWaalsContact C-N 3.3Å; S432-T434 PolarHBondContact O-N 3.06Å
433I53.4Low52.2Low139 Ų139124.5 Ų124.571%0.71372%0.72SS**  trans-74.191166.7-63.4176.8000107.3K431K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 3.04Å
434T50.7Low51.3Low104 Ų104125.5 Ų125.564%0.63873%0.729SS**  trans-100.682.9171.9-48.90000108.4S432 L436S432-T434 VanDerWaalsContact C-N 3.3Å; S432-T434 PolarHBondContact O-N 3.06Å; T434-L436 VanDerWaalsContact C-N 3.26Å; T434-L436 HydrophobicContact CG2-CD1 3.68Å; T434-L436 PolarHBondContact O-N 2.87Å
435N47.9Very low50.6Low117 Ų117127.9 Ų127.963%0.62674%0.735SS**  trans-72.478.7177.4-89.4-22.9000110.9A437 A438N435-A437 PolarHBondContact O-N 3.24Å; N435-A437 VanDerWaalsContact O-N 3.16Å; N435-A438 HydrophobicContact CB-CB 4.22Å; N435-A438 WeakPolarHBondContact O-CB 3.46Å; N435-A438 PolarHBondContact O-N 2.95Å
436L53.7Low50.1Low134 Ų134126.4 Ų126.470%0.70274%0.735SS**Hα-helixtrans-53.1-33.9174.8-115.965.1000112.4T434 A438 A439T434-L436 VanDerWaalsContact C-N 3.26Å; T434-L436 HydrophobicContact CG2-CD1 3.68Å; T434-L436 PolarHBondContact O-N 2.87Å; L436-A438 PolarHBondContact O-N 3.16Å; L436-A439 PolarHBondContact O-N 3.18Å
437A52.8Low49.4Very low86 Ų86127.1 Ų127.171%0.71174%0.739SS**Hα-helixtrans-62.5-22.3176.300000114.4N435N435-A437 PolarHBondContact O-N 3.24Å; N435-A437 VanDerWaalsContact O-N 3.16Å
438A53.7Low48.4Very low69 Ų69129.3 Ų129.357%0.5774%0.743SS**Hα-helixtrans-83.8-27176.600000112.6N435 L436 A440N435-A438 HydrophobicContact CB-CB 4.22Å; N435-A438 WeakPolarHBondContact O-CB 3.46Å; N435-A438 PolarHBondContact O-N 2.95Å; L436-A438 PolarHBondContact O-N 3.16Å; A438-A440 VanDerWaalsContact C-N 3.34Å
439A51.3Low47.9Very low85 Ų85129.9 Ų129.970%0.70275%0.746SS**Hα-helixtrans-79.5-15.8179.800000113.5L436L436-A439 PolarHBondContact O-N 3.18Å
440A51Low47.2Very low83 Ų83126.3 Ų126.369%0.68674%0.74SS**THydrogen-bonded Turntrans-92.30.6178.600000113.9A438A438-A440 VanDerWaalsContact C-N 3.34Å
441A50.3Low46.2Very low84 Ų84130 Ų13069%0.69475%0.748SS**SBendtrans-99.5-0.5-169.600000114.9
442D51.8Low44.9Very low149 Ų149128.3 Ų128.380%0.79774%0.743SS**  trans-131.153.7-167.9-149.14.1000112.2
443I43.8Very low44.4Very low140 Ų140130 Ų13072%0.71875%0.752SS**  trans-123.1113.2166.4-59178.6000107.2
444P37.5Very low43.7Very low123 Ų123126.7 Ų126.780%0.79975%0.752SS**  trans-71.5133-177.428-33.8000111.5
445Q38.5Very low43.2Very low194 Ų194128.1 Ų128.191%0.90776%0.763SS**  trans-102.684-167.6-164.6114.429.400111.9
446D37.1Very low42.4Very low146 Ų146130.9 Ų130.978%0.78177%0.773SS**  trans-148.182.5171.8-161.65.5000114.3
447Q38.3Very low41.6Very low192 Ų192130.6 Ų130.690%0.89778%0.776SS**  trans-167.1131.3144.6-112166.945.700111.4
448L37Very low40.9Very low155 Ų155133.4 Ų133.481%0.81278%0.779SS**  trans-80135.2168.5-75.669.1000110
449V38.5Very low40.1Very low149 Ų149137.3 Ų137.390%0.90379%0.786SS**  trans-143.8137.6134.2179.90000110.6
450V38Very low39.6Very low116 Ų116140 Ų14070%0.70379%0.787SS**  trans-73.5146.9-177.9-171.90000112.6
451M34.5Very low38.8Very low176 Ų176141.9 Ų141.987%0.86779%0.786SS**  169.4148.6121.4-89.6-168.973.600116.4
452H30.8Very low38Very low165 Ų165144.2 Ų144.276%0.76479%0.785SS**  trans-97.4-174.1164.4-58.3-96.6000109.8
453P41.9Very low37.1Very low124 Ų124144.6 Ų144.681%0.80579%0.786SS**  cis-119-171.5-43.229.8-11000110.8
454G38Very low37.2Very low70 Ų70142.7 Ų142.772%0.72278%0.783SS**  trans-92.1161.5172.200000114.7
455P40Very low36.9Very low133 Ų133143.9 Ų143.986%0.86478%0.783SS**  trans-106.1177169.939-31.9000113.8
456Q32.2Very low36.8Very low176 Ų176143.2 Ų143.282%0.82278%0.78SS**  trans-121.6167.9179.2-52.6171.1-8700111
457V36.4Very low37Very low128 Ų128141.8 Ų141.878%0.77678%0.778SS**  trans59.5151.4161.9-53.70000117.7
458D37.8Very low37.3Very low145 Ų145138.2 Ų138.278%0.77577%0.772SS**  cis-157.2-159.8-27.7-113.2-73.9000106.4
459E37.1Very low37.1Very low151 Ų151136.7 Ų136.771%0.70677%0.774SS**  cis-160.2171.310.9-150-169.4131.800109.7
460L40.7Very low36.6Very low140 Ų140133.1 Ų133.173%0.73377%0.767SS**  trans66.8153.3164.1-63.5155.3000117.1
461D34.6Very low36.3Very low124 Ų124134.1 Ų134.166%0.66377%0.769SS**  cis-150.7154.813.9-1480.1000115
462I33.2Very low36Very low133 Ų133132.6 Ų132.668%0.68276%0.759SS**  trans36.398.1161.2-65.2150.8000122.4
463L32.8Very low36Very low156 Ų156134.8 Ų134.882%0.81776%0.762SS**  31.1163.3105.5-67.6-178.7000123.2
464P46.3Very low35.4Very low101 Ų101133.1 Ų133.166%0.65675%0.754SS**  cis-143.4-166.3-22.938.7-17.7000116.7
465N30.4Very low35Very low147 Ų147136.3 Ų136.379%0.78675%0.754SS**  trans101.278.2150.2-74.87.5000122.6
466H37.7Very low34.5Very low181 Ų181136.4 Ų136.484%0.83875%0.747SS**  -109.6170.3115.1-101.8-72.1000106.7
467P41.4Very low34.4Very low115 Ų115139 Ų13975%0.74775%0.751SS**  cis-148.3-124.445.641.6-14.1000114.3
468P44.9Very low34.1Very low118 Ų118137 Ų13777%0.76674%0.743SS**  trans-133.8-149.8-140.941.9-15.6000115.9
469S31.8Very low33.9Very low122 Ų122137.7 Ų137.785%0.85375%0.746SS**  trans-55150-170.9-37.50000118.9
470G28.8Very low34Very low74 Ų74139.7 Ų139.776%0.76376%0.756SS**  trans-165.6150.6165.100000112.1
471N30.3Very low34.1Very low138 Ų138139 Ų13974%0.73876%0.759SS**  trans-107.4163-167.3-7810.2000116.1
472H29.6Very low34.4Very low143 Ų143140.7 Ų140.766%0.66277%0.769SS**  trans91.1142.9144.7-68.5-58.4000122
473Y30.8Very low35.3Very low211 Ų211139.9 Ų139.983%0.82777%0.772SS**  trans71.9133.9166.2-55.8-59.2000117
474S28.8Very low35.5Very low90 Ų90140.3 Ų140.363%0.62978%0.775SS**  cis-159.5157.70.9-103.90000114.7
475N29.1Very low35.2Very low136 Ų136139.7 Ų139.773%0.72778%0.778SS**  trans64.7121.8152.1-68.43.2000123.2
476N29.2Very low36.2Very low136 Ų136138.5 Ų138.573%0.72778%0.779SS**  trans53.1119.3133.9-57.74.2000120.7
477Y31.3Very low36.5Very low230 Ų230135.3 Ų135.390%0.90278%0.777SS**  -155.1146.597-107.7-74.8000112.9
478S30.3Very low36.8Very low86 Ų86135.9 Ų135.960%0.60178%0.781SS**  trans-46147-176.8-40.60000118.4
479N32.2Very low36.6Very low159 Ų159134.5 Ų134.585%0.8578%0.779SS**  172.4115.6107.6-83.7-17.8000112.8
480E39.8Very low37Very low194 Ų194139.1 Ų139.191%0.90780%0.801SS**  trans-110.5157.5149-79.5-167.8112.900108.6
481P42.9Very low37.4Very low124 Ų124142.4 Ų142.481%0.80580%0.803SS**  trans-124.3142.7147.834.9-24.5000113.4
482D39.9Very low37.8Very low161 Ų161142.6 Ų142.686%0.86181%0.807SS**  trans-40.2157.8179.7-97.2-34.4000118.4
483P52.1Low38.2Very low115 Ų115142.6 Ų142.675%0.74782%0.815SS**  trans-94.5130.8169.736-29.1000113.2
484D38.5Very low38.7Very low166 Ų166138.5 Ų138.589%0.88881%0.814SS**  trans-161.5167.8155.9-140.6-23.8000113.3
485A39.8Very low39.3Very low87 Ų87141.6 Ų141.672%0.71983%0.826SS**  trans74.8157.4168.700000118.2
486P51Low39.9Very low123 Ų123141.9 Ų141.980%0.79983%0.832SS**  trans-127179.7-140.141-26.2000117.4
487S43.9Very low40.7Very low113 Ų113142.4 Ų142.479%0.7984%0.84SS**  trans-54.3154.7174-35.70000114
488P47.6Very low41.4Very low128 Ų128135.6 Ų135.683%0.83184%0.835SS**  -148.2-1808840.8-24.2000116.7
489A40.3Very low42.4Very low89 Ų89139.8 Ų139.874%0.73685%0.854SS**  trans-48.1152.4-177.900000119.1
490V40.4Very low43.3Very low218 Ų218138 Ų138100%1.32186%0.855SS**  -126.10109.1175.70000108

Retrieved 490 of 490 residues in 799.2 ms (Link to these results)