A0A087XZP0_POEFO Loading...

Wee1-like protein kinase

AlphaFold DB , UniProt , Accession A0A087XZP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 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
1M40.3Very low36.4Very low238 Ų238151.4 Ų151.4100%1.17281%0.805SS**  087.70-59.3156.7177.300106.1
2K32.8Very low35.8Very low177 Ų177143.9 Ų143.977%0.7779%0.791SS**  cis66.1126.824.9-96.8-168.5161.3-141.60115.6
3E33Very low35.3Very low150 Ų150148.2 Ų148.270%0.70181%0.806SS**  trans76.9144.1156.5-68.4161.1-144.700115.9
4T30.6Very low35.1Very low128 Ų128144.4 Ų144.479%0.78580%0.804SS**  cis-155165.913.3-10.80000115.2
5F31.3Very low35.1Very low180 Ų180140.4 Ų140.479%0.78980%0.797SS**  trans-67.5-179.9169.8-92.1-80.8000113.7
6P50.9Low34.9Very low123 Ų123140.9 Ų140.980%0.79980%0.796SS**  cis-149.8170.535.242.9-20.6000121.9
7K33.8Very low34.7Very low156 Ų156144.1 Ų144.168%0.67880%0.799SS**  trans-87.9159.7157.7-63.6176.4175.8179.80110.7
8P47.8Very low34.4Very low126 Ų126139.8 Ų139.882%0.81879%0.793SS**  trans-93143.9162.934.4-30.4000113.8
9H32.9Very low34.3Very low155 Ų155141.6 Ų141.672%0.71879%0.794SS**  trans-147.4153.8174.3-78.2-101.2000105.9
10S35Very low34.2Very low110 Ų110142.8 Ų142.877%0.76980%0.797SS**  cis-171.1173.5-3.241.60000108.1
11S31.5Very low34Very low122 Ų122140.3 Ų140.385%0.85379%0.789SS**  trans140.9144147.8-166.30000111.6
12G30.2Very low33.6Very low62 Ų62137.8 Ų137.864%0.63977%0.774SS**  cis142.1123.7-4.200000112.3
13M28.4Very low33.5Very low200 Ų200137.5 Ų137.599%0.98578%0.776SS**  trans-153.9144.8158.6-89.1-130.2-164.100111
14A33Very low33.2Very low95 Ų95136.5 Ų136.579%0.78577%0.774SS**  trans-118.1172.7-175.100000108.4
15A34.9Very low33.2Very low84 Ų84136.5 Ų136.569%0.69477%0.77SS**  cis-173.6-164.3-1500000108.1
16L32.1Very low33Very low148 Ų148137.2 Ų137.278%0.77577%0.773SS**  trans81.9137.5165.2-52.6164.7000115.8
17F31.7Very low31.9Very low196 Ų196136.4 Ų136.486%0.8677%0.77SS**  cis-132.6169.91.1-80.8-96.1000108.4
18G29.4Very low31.6Very low66 Ų66134.7 Ų134.768%0.6878%0.778SS**  cis168.7147.90.500000109.9
19E31.6Very low30.6Very low175 Ų175134.8 Ų134.882%0.81878%0.78SS**  trans-60.6167.5-167.8-58.3162.9132.600116
20I32.7Very low30.4Very low164 Ų164130.8 Ų130.884%0.84178%0.781SS**  -156.5131.188.1-85.5152.8000113.1
21S30Very low30.4Very low91 Ų91134 Ų13464%0.63678%0.783SS**  trans-22.7163.6149.6-54.40000118.2
22Q32.3Very low30.4Very low185 Ų185137.1 Ų137.186%0.86479%0.785SS**  cis-153.8154.846.5-68.8177.7-15.700115.8
23Q29.4Very low30.4Very low171 Ų171137.3 Ų137.380%0.79979%0.787SS**  trans-64.1174.6156.3-97.2174.3-36.300112
24L27.9Very low30.5Very low129 Ų129135.3 Ų135.368%0.67578%0.78SS**  cis-165.617624.5-128.3155.8000110.6
25D29.9Very low30.4Very low129 Ų129135.4 Ų135.469%0.6978%0.775SS**  trans-69.8163.7177.5-55-82.3000116.1
26F27.8Very low30.5Very low194 Ų194136.3 Ų136.385%0.85178%0.776SS**  174.4159110.8-102.3-79.7000114.8
27S28.5Very low30.6Very low106 Ų106136.2 Ų136.274%0.74178%0.777SS**  trans-49.2158.2-175.665.60000120.4
28S27.1Very low30.7Very low121 Ų121134.1 Ų134.185%0.84677%0.774SS**  -173165.8120.7-162.30000113.3
29C27Very low30.8Very low127 Ų127136.5 Ų136.586%0.85878%0.776SS**  trans-97169-179.3-59.60000114.4
30G28.9Very low31Very low71 Ų71132.6 Ų132.673%0.73277%0.768SS**  trans94.7149.7162.700000114.8
31E33.2Very low31.2Very low177 Ų177131.8 Ų131.883%0.82777%0.765SS**  cis179.1146.3-16.1-133172.5-171.600105.2
32E32.7Very low31.4Very low188 Ų188134 Ų13488%0.87977%0.77SS**  trans60.4150.1166.2-51.3-16916300119
33G29.7Very low31.7Very low66 Ų66130.8 Ų130.868%0.6877%0.766SS**  cis178.7-174.3-2.100000112.4
34N30Very low31.9Very low158 Ų158127.5 Ų127.585%0.84577%0.768SS**  trans72114.2172.2-75.97.4000118.4
35S31.7Very low32Very low97 Ų97125.2 Ų125.268%0.67878%0.776SS**  81.814067.278.50000112.1
36S36.3Very low32.3Very low103 Ų103127.1 Ų127.172%0.7279%0.785SS**  cis-157.1138.537.349.10000109.5
37D34.6Very low33.4Very low147 Ų147123.8 Ų123.879%0.78678%0.783SS**  75.1128.670.2-80.1-29.4000117.4
38N33.3Very low33.4Very low152 Ų152122.5 Ų122.581%0.81379%0.786SS**  trans166.9130.8147.7-87.7-23.1000107.8
39T33.1Very low33.4Very low116 Ų116122.6 Ų122.671%0.71279%0.785SS**  cis-161.4136.615.811.30000111.7
40S34.4Very low33.5Very low92 Ų92121.8 Ų121.864%0.64378%0.781SS**  trans27.7149.9136.1590000122
41D37.4Very low34.7Very low148 Ų148124.4 Ų124.479%0.79179%0.786SS**  cis-167.1172.6-8.4-90.8-32.6000105.4
42D35Very low34.4Very low138 Ų138119.5 Ų119.574%0.73878%0.782SS**  cis-163.6159.633.2-148.3-18.6000113.4
43C37Very low34.3Very low117 Ų117118.8 Ų118.879%0.79178%0.783SS**  trans-3.9155.7162.3-72.30000123.2
44A34.2Very low34.4Very low101 Ų101119.5 Ų119.584%0.83578%0.783SS**  cis-168.4165.5-2.500000111.7
45G29.9Very low34.3Very low81 Ų81117.8 Ų117.884%0.83578%0.782SS**  trans141.789161.200000117.6
46L36.6Very low34.2Very low170 Ų170125 Ų12589%0.8979%0.794SS**  trans-77.4-179.1175.3-70.9163.9000113.2
47P49.9Very low34Very low124 Ų124126.4 Ų126.481%0.80580%0.799SS**  -137-177.3-53.440.2-24.5000112.8
48G30.3Very low35Very low78 Ų78124.8 Ų124.880%0.80480%0.796SS**  trans167.3103.2161.900000118.7
49C27.2Very low34.7Very low123 Ų123129.5 Ų129.583%0.83180%0.803SS**  trans-52141.5-178.4-56.50000119.3
50S27.7Very low34.5Very low110 Ų110130 Ų13077%0.76981%0.805SS**  37.4166.3115.4-46.20000122.6
51P53.9Low34.3Very low127 Ų127133.6 Ų133.683%0.82581%0.812SS**  cis-141.6170.3-46.439.6-23.1000115.2
52G27.8Very low34Very low73 Ų73136.8 Ų136.875%0.75381%0.813SS**  trans106.7160.9137.500000122.8
53L31.1Very low33.7Very low173 Ų173139.8 Ų139.891%0.90682%0.822SS**  trans79106.3151.8-67.1164.2000123.6
54A30.6Very low33.4Very low82 Ų82145.5 Ų145.568%0.67883%0.827SS**  46.8125.8115.300000124.3
55C29.2Very low33.1Very low121 Ų121146.1 Ų146.182%0.81883%0.825SS**  trans61.8116.8137.3-61.40000122.4
56R29.2Very low33.2Very low249 Ų249153.7 Ų153.794%0.9483%0.828SS**  169.6161.1112.6-92.5176.5178.5-156.8-0114.3
57T31.9Very low32.9Very low132 Ų132149.9 Ų149.981%0.8182%0.816SS**  trans-89.1-166.2175.854.50000111.9
58P54.5Low31.8Very low113 Ų113150.8 Ų150.873%0.73481%0.814SS**  cis-130.2-178.9-42.930.1-11.2000113.1
59R28Very low31.8Very low252 Ų252152.2 Ų152.295%0.95181%0.811SS**  trans-165.2170.7145.3-118.3172.4-180173.3-0.2117.4
60V29.5Very low31.9Very low126 Ų126151.5 Ų151.576%0.76481%0.808SS**  trans-113.7152.8-170.1178.20000107.6
61Q30.4Very low32Very low167 Ų167151.8 Ų151.878%0.7881%0.81SS**  176.2160.879.5-159.3155.64.500114.9
62R30.5Very low30.9Very low216 Ų216151.2 Ų151.282%0.81581%0.809SS**  trans-46.2162.9-177.2-56.6167.4174.8161-2120.4
63H27.7Very low31.6Very low200 Ų200153.2 Ų153.293%0.92681%0.808SS**  trans-143173.4133.3-111.1-85000113.1
64R31Very low31.6Very low238 Ų238152.6 Ų152.690%0.89881%0.805SS**  trans-148.7136.7-150.8-153.1-166.4-165.6-174.52.9114.5
65S28.8Very low31.5Very low113 Ų113159.9 Ų159.979%0.7982%0.815SS**  trans-176.7121155.435.40000110.4
66R30.7Very low31.4Very low241 Ų241158.9 Ų158.991%0.90981%0.81SS**  62.1136.680.6-89.4-170169.5179.3-4.2115.3
67S30.6Very low31.4Very low89 Ų89153.5 Ų153.562%0.62281%0.805SS**  cis-177.8173.7-15.340.20000111.4
68N28.1Very low31.4Very low143 Ų143152.8 Ų152.877%0.76581%0.805SS**  trans88.6115.6168.7-62.59.3000116.7
69S29.8Very low30.7Very low108 Ų108153.3 Ų153.376%0.75581%0.809SS**  79.7136.760.476.30000113.3
70S29.7Very low31.2Very low109 Ų109149.1 Ų149.176%0.76280%0.803SS**  cis-160.7157.51356.70000109.1
71S29.5Very low31.4Very low115 Ų115148.3 Ų148.380%0.80480%0.801SS**  154.1169.886.852.70000109.4
72S30.8Very low32Very low115 Ų115150.5 Ų150.580%0.80480%0.803SS**  trans-126163.4-178.7-43.30000111.1
73P43.3Very low32.1Very low115 Ų115144.8 Ų144.875%0.74780%0.802SS**  -156.4164.585.639.3-18.9000118.7
74L29.1Very low32.9Very low161 Ų161139.9 Ų139.984%0.84379%0.791SS**  trans27.5138.9142-57.8162.2000120
75R29Very low33.4Very low234 Ų234138.8 Ų138.888%0.88379%0.787SS**  cis-171.8148.438.8-142.3178.8-166.3-161.14.7112.1
76S27.1Very low33.6Very low100 Ų100145.2 Ų145.270%0.69979%0.793SS**  trans40113.5148.6-174.90000122.7
77T30.2Very low33.9Very low137 Ų137143.6 Ų143.684%0.8479%0.793SS**  176.9143.1107.239.30000112.1
78S31.7Very low34.1Very low117 Ų117146.7 Ų146.782%0.81880%0.802SS**  trans-58.6158.1168.6-52.40000112.5
79P39.8Very low34.5Very low124 Ų124151.2 Ų151.281%0.80581%0.808SS**  cis-131.6177.335.639-20.8000117.4
80I38Very low35Very low163 Ų163151.9 Ų151.984%0.83680%0.803SS**  trans-57.7124.2-174.1-60.7160000112.1
81P34.2Very low35.4Very low109 Ų109151.3 Ų151.371%0.70880%0.798SS**  trans-81.4131.917431.3-32.6000112.3A83P81-A83 PolarHBondContact O-N 3.45Å
82Y42.3Very low36Very low214 Ų214153.3 Ų153.384%0.83980%0.799SS**  trans-59.9114.4170.8-116.4-111.5000110.9
83A32.1Very low36.9Very low96 Ų96151.7 Ų151.779%0.79379%0.785SS**  trans-144.758179.900000113.1P81P81-A83 PolarHBondContact O-N 3.45Å
84S44.9Very low36.9Very low97 Ų97152.5 Ų152.568%0.67879%0.79SS**  trans-136.424.4179.461.20000115
85W41.8Very low37.8Very low215 Ų215152 Ų15281%0.81479%0.788SS**  trans-12246.3-172.8-76.871.1000114.4
86R34.1Very low39.1Very low247 Ų247142.8 Ų142.893%0.93276%0.758SS**SBendtrans-141.661.5164.5-70.2-164.2-173.2-140.1-1113.1
87K35.1Very low39.9Very low207 Ų207140.9 Ų140.990%0.974%0.743SS**SBendtrans-150.214.9157.8-119.6176-174.1-176.60115.9
88L35.5Very low41.1Very low154 Ų154142.8 Ų142.881%0.80674%0.74SS**  trans-110.387.6162.9-72171.1000108.4
89R36.7Very low41.9Very low239 Ų239139.6 Ų139.690%0.90272%0.717SS**  trans-92.695.4154-71.5-170.2-176.2-169.92.3105.9
90L39.7Very low41.9Very low122 Ų122139 Ų13964%0.63971%0.707SS**  trans-66.4136.1155.6-8686.2000106.7D92L90-D92 PolarHBondContact O-N 3.37Å
91C38.3Very low42.1Very low97 Ų97135.3 Ų135.366%0.65569%0.688SS**  trans-79.2118.7179.6-59.80000109.4T93C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 PolarHBondContact O-OG1 3.33Å
92D41.6Very low42.6Very low156 Ų156133.9 Ų133.983%0.83468%0.681SS**  trans-62.396.7168.9-67.4-53.6000109.6L90L90-D92 PolarHBondContact O-N 3.37Å
93T50.3Low42.6Very low82 Ų82132.8 Ų132.850%0.50368%0.68SS.*  trans-126.2147.3170.347.60000109.1C91 N95 T96C91-T93 PolarHBondContact O-N 3.1Å; C91-T93 PolarHBondContact O-OG1 3.33Å; T93-N95 PolarHBondContact O-N 3.37Å; T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.16Å
94P43.4Very low42.9Very low131 Ų131131.7 Ų131.785%0.85167%0.667SS**THydrogen-bonded Turntrans-64-8.1-168.223.7-35000115.4
95N47.7Very low42.6Very low150 Ų150135.3 Ų135.380%0.80267%0.671SS**THydrogen-bonded Turntrans-101.412-177.5-60.2-8.1000113.1T93T93-N95 PolarHBondContact O-N 3.37Å
96T55.7Low42.4Very low42 Ų42133.8 Ų133.826%0.25867%0.673SS.*SBendtrans-77.5124.8177.2-46.80000110.5T93 K98T93-T96 PolarHBondContact O-N 3.44Å; T93-T96 PolarHBondContact O-OG1 3.16Å; T96-K98 PolarHBondContact O-N 3.15Å
97P45.7Very low42.1Very low60 Ų60129.3 Ų129.339%0.3967%0.667SS.*  trans-66.1130.4-176.324.7-33000111.8S99 L100P97-S99 PolarHBondContact O-N 2.98Å; P97-S99 VanDerWaalsContact O-N 3.12Å; P97-L100 HydrophobicContact CG-CD1 4.27Å; P97-L100 PolarHBondContact O-N 3.38Å
98K53.7Low41.9Very low177 Ų177128.4 Ų128.477%0.7766%0.663SS**THydrogen-bonded Turntrans-65.4-16.9-173.1-66.8178.2-178.9172.70113.8T96 L100 L101 S102T96-K98 PolarHBondContact O-N 3.15Å; K98-L100 PolarHBondContact O-N 2.86Å; K98-L101 PolarHBondContact O-N 3.43Å; K98-S102 PolarHBondContact O-N 2.85Å; K98-S102 PolarHBondContact O-OG 3.21Å
99S48.8Very low41.7Very low50 Ų50126.2 Ų126.235%0.3566%0.66SS.*Hα-helixtrans-59.9-30.3174.257.60000113.4P97 S102P97-S99 PolarHBondContact O-N 2.98Å; P97-S99 VanDerWaalsContact O-N 3.12Å; S99-S102 PolarHBondContact O-OG 3.2Å
100L39.4Very low41.5Very low111 Ų111122.6 Ų122.658%0.58166%0.659SS**Hα-helixtrans-78.8-26176.1-77.7169.7000113.4P97 K98P97-L100 HydrophobicContact CG-CD1 4.27Å; P97-L100 PolarHBondContact O-N 3.38Å; K98-L100 PolarHBondContact O-N 2.86Å
101L44Very low41.1Very low86 Ų86123.4 Ų123.445%0.4566%0.662SS.*Hα-helixtrans-92.6-26.9-179.9-66.9173.3000112.9K98 K103 S104K98-L101 PolarHBondContact O-N 3.43Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 PolarHBondContact O-OG 3.41Å
102S43.8Very low40.9Very low79 Ų79128.9 Ų128.955%0.55268%0.675SS**Hα-helixtrans-70.1-25.7178.467.20000113.4K98 S99K98-S102 PolarHBondContact O-N 2.85Å; K98-S102 PolarHBondContact O-OG 3.21Å; S99-S102 PolarHBondContact O-OG 3.2Å
103K41.7Very low40.4Very low190 Ų190127.7 Ų127.783%0.82667%0.673SS**THydrogen-bonded Turntrans-85.3-4.5-179.9-68.4-178.4179.1175.90114.5L101L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 3.42Å
104S39.6Very low39.2Very low74 Ų74128.5 Ų128.552%0.51768%0.682SS.*SBendtrans-109.6-2-177.9560000115.1L101L101-S104 PolarHBondContact O-N 2.99Å; L101-S104 PolarHBondContact O-OG 3.41Å
105F38.8Very low38.7Very low172 Ų172131 Ų13175%0.75468%0.683SS**  trans-125.665.9179-74.9-77.5000113.7
106Q36.8Very low37.7Very low184 Ų184132.6 Ų132.686%0.8669%0.685SS**  trans-13482.8156.8-75-165.4-13.400111.4
107L28.5Very low36.6Very low153 Ų153139.7 Ų139.780%0.80172%0.715SS**  trans-128.1116.6153.5-93.396.8000109.8
108F31.2Very low35.8Very low188 Ų188148.3 Ų148.383%0.82574%0.74SS**  trans38.8110.1156.2-53.8-82.7000119.9
109S29.8Very low34.6Very low107 Ų107144.9 Ų144.975%0.74874%0.738SS**  trans-113121.1144.654.30000110I111S109-I111 PolarHBondContact O-N 3.43Å
110N33.4Very low33.6Very low163 Ų163149.7 Ų149.787%0.87276%0.759SS**  trans-73.1114.2173.6-81.9-50.8000109.7
111I32.1Very low33Very low139 Ų139155.5 Ų155.571%0.71377%0.773SS**  trans-129.3113.7165.3-55.6-176.9000108.9S109 V113S109-I111 PolarHBondContact O-N 3.43Å; I111-V113 HydrophobicContact CG2-CG2 4.01Å
112K33.4Very low32.2Very low212 Ų212161 Ų16192%0.92279%0.794SS**  trans-71.4125.3168-68.8176.1176.6177.20108.7
113V29.9Very low31.4Very low131 Ų131162.7 Ų162.779%0.79481%0.805SS**  trans-130.6144.3162.1-174.90000109I111I111-V113 HydrophobicContact CG2-CG2 4.01Å
114S26.1Very low30.8Very low99 Ų99159.7 Ų159.769%0.69281%0.808SS**  trans-75.1149.6-163.844.40000115.3H116S114-H116 PolarHBondContact O-N 2.96Å
115H32.8Very low30.2Very low185 Ų185160.7 Ų160.786%0.85682%0.821SS**  trans-59.3119.1161.3-88.6-91.4000111.2
116H27.7Very low29.8Very low183 Ų183157.2 Ų157.285%0.84782%0.824SS**  trans-135.8118.9150.5-91.1-0.3000110S114S114-H116 PolarHBondContact O-N 2.96Å
117Q32.1Very low29.5Very low191 Ų191153.3 Ų153.389%0.89382%0.824SS**  trans-69.9133.3173.4-68175.6-41.800109.9
118R29.5Very low29.5Very low241 Ų241151.5 Ų151.591%0.90982%0.822SS**  trans-130.1110.9153.6-80.4-169.3171.6177.8-1.8109.7
119S27.6Very low29.6Very low104 Ų104150.8 Ų150.873%0.72783%0.826SS**  trans-63.8130.8168.3176.90000109.3
120L27.6Very low29.6Very low152 Ų152151.8 Ų151.880%0.79683%0.828SS**  trans-117.7117.7162.9-71.4177000108
121R26Very low29.5Very low233 Ų233152.7 Ų152.788%0.87983%0.827SS**PPolyproline II helixtrans-78.2130.4174.8-62.9174.9178174.9-2.4108.4
122F27.6Very low29.4Very low201 Ų201150.5 Ų150.588%0.88283%0.829SS**PPolyproline II helixtrans-97.2126163-83.5-84.4000109.5
123S27Very low29.4Very low114 Ų114146 Ų14680%0.79782%0.822SS**PPolyproline II helixtrans-79137175.9-62.50000110.5A125S123-A125 PolarHBondContact O-N 3.36Å
124S28.7Very low29.7Very low127 Ų127145.4 Ų145.489%0.88882%0.823SS**PPolyproline II helixtrans-60.1124.5171.7168.20000111.3
125A28.9Very low30.4Very low95 Ų95146.7 Ų146.779%0.78583%0.826SS**  trans-121.2140.2165.100000109.2S123S123-A125 PolarHBondContact O-N 3.36Å
126A29.6Very low30.8Very low99 Ų99145.3 Ų145.382%0.81883%0.826SS**  trans-71.1156.7-162.600000114.6
127A30.7Very low31.9Very low103 Ų103139.7 Ų139.785%0.85180%0.804SS**  trans-60.3135.9177.900000112.5
128C27.1Very low32.7Very low115 Ų115134.6 Ų134.678%0.77778%0.783SS**  trans-125.1107.9166-1500000108.2V130C128-V130 PolarHBondContact O-N 3.45Å
129L33.6Very low33.5Very low173 Ų173128.6 Ų128.691%0.90678%0.775SS**  trans-70.2107.2177.9-101.4137.3000109.7
130V31.1Very low34.5Very low128 Ų128132.2 Ų132.278%0.77678%0.778SS**  trans-117.1116.5164.7-179.30000107.6C128 A132C128-V130 PolarHBondContact O-N 3.45Å; V130-A132 PolarHBondContact O-N 2.95Å
131Q30.7Very low36.1Very low182 Ų182127.6 Ų127.685%0.8576%0.756SS**PPolyproline II helixtrans-64126177.9-71.9173.6-3900110.2
132A29.8Very low37.6Very low92 Ų92119.7 Ų119.776%0.7674%0.735SS**PPolyproline II helixtrans-70.3141.5167.800000110V130V130-A132 PolarHBondContact O-N 2.95Å
133P33.2Very low38.5Very low119 Ų119116.2 Ų116.277%0.77372%0.721SS**PPolyproline II helixtrans-69.5146.9-177.728.9-34.9000111.8V135P133-V135 PolarHBondContact O-N 3.2Å
134S37Very low39.6Very low118 Ų118115.8 Ų115.883%0.82571%0.714SS**PPolyproline II helixtrans-58.7122178.451.60000112.3
135V40.5Very low40.7Very low125 Ų125113.6 Ų113.676%0.75870%0.695SS**PPolyproline II helixtrans-61.3134.7172.7-179.90000109.9P133 V137P133-V135 PolarHBondContact O-N 3.2Å; V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 2.88Å
136N41.7Very low41.6Very low157 Ų157115.2 Ų115.284%0.8468%0.681SS**  trans-73.185.2177.4-171.218.4000110.7
137V50.1Low42.2Very low64 Ų64118.1 Ų118.139%0.38867%0.671SS.*  trans-75.2124.5177.2179.90000109.4V135V135-V137 VanDerWaalsContact C-N 3.35Å; V135-V137 PolarHBondContact O-N 2.88Å
138N48.6Very low42.8Very low84 Ų84119.7 Ų119.745%0.44966%0.658SS.*  trans-53.7121.2173.7173.31.7000109.9F140 T141N138-F140 PolarHBondContact O-N 3.09Å; N138-F140 PolarHBondContact OD1-N 2.95Å; N138-T141 WeakPolarHBondContact O-CB 3.36Å; N138-T141 PolarHBondContact O-N 3.39Å; N138-T141 PolarHBondContact O-OG1 3.45Å
139P46.4Very low43.6Very low115 Ų115116.8 Ų116.875%0.74764%0.639SS**THydrogen-bonded Turntrans-63.8-12.9-174.725.2-34.9000114.2
140F47.8Very low44.1Very low181 Ų181113.6 Ų113.679%0.79462%0.62SS**THydrogen-bonded Turntrans-96.27.1176.3-57.1-73.2000114.1N138 P142N138-F140 PolarHBondContact O-N 3.09Å; N138-F140 PolarHBondContact OD1-N 2.95Å; F140-P142 WeakPolarHBondContact O-CD 3.46Å
141T62.9Low44.7Very low54 Ų54112 Ų11233%0.33161%0.61SS.*SBendtrans-68.9120.3176.1-47.40000110.2N138 E143 V145N138-T141 WeakPolarHBondContact O-CB 3.36Å; N138-T141 PolarHBondContact O-N 3.39Å; N138-T141 PolarHBondContact O-OG1 3.45Å; T141-E143 PolarHBondContact O-N 2.91Å; T141-V145 HydrophobicContact CG2-CB 4.34Å; T141-V145 HydrophobicContact CG2-CG1 4.48Å
142P57.5Low45Very low67 Ų67109.7 Ų109.744%0.43560%0.603SS.*  trans-60.6138179.9-2434.5000112.3F140 T144 V145 R146F140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-T144 PolarHBondContact O-N 2.91Å; P142-V145 HydrophobicContact CB-CG2 4.47Å; P142-V145 PolarHBondContact O-N 3.19Å; P142-R146 PolarHBondContact O-N 3.38Å
143E45.8Very low45.2Very low128 Ų128115.7 Ų115.760%0.59861%0.606SS**Hα-helixtrans-55-31.4-178.2-78.6-159.7-169.800113.7T141 V145 R146 R147T141-E143 PolarHBondContact O-N 2.91Å; E143-V145 PolarHBondContact O-N 3.07Å; E143-R146 PolarHBondContact O-N 3.44Å; E143-R147 PolarHBondContact O-N 3.13Å; E143-R147 VanDerWaalsContact O-N 3.07Å; E143-R147 IonicContact OE2-CZ 2.96Å; E143-R147 IonicContact OE2-NE 2.74Å; E143-R147 IonicContact OE2-NH2 3.3Å; E143-R147 PolarHBondContact OE2-NH2 3.02Å
144T49.3Very low45.2Very low106 Ų106120.5 Ų120.565%0.6561%0.609SS**Hα-helixtrans-61-31178.350.60000112.9P142P142-T144 PolarHBondContact O-N 2.91Å
145V52.5Low44.9Very low80 Ų80119.2 Ų119.249%0.48560%0.6SS.*Hα-helixtrans-80.6-43.5176-177.20000110.2T141 P142 E143 R147 K148 S149T141-V145 HydrophobicContact CG2-CB 4.34Å; T141-V145 HydrophobicContact CG2-CG1 4.48Å; P142-V145 HydrophobicContact CB-CG2 4.47Å; P142-V145 PolarHBondContact O-N 3.19Å; E143-V145 PolarHBondContact O-N 3.07Å; V145-R147 PolarHBondContact O-N 3.39Å; V145-K148 WeakPolarHBondContact O-CB 3.48Å; V145-K148 PolarHBondContact O-N 3.33Å; V145-K148 VanDerWaalsContact O-N 3.07Å; V145-S149 PolarHBondContact O-N 2.99Å; V145-S149 VanDerWaalsContact O-N 3.15Å; V145-S149 PolarHBondContact O-OG 2.95Å
146R48.1Very low44.5Very low130 Ų130116.4 Ų116.449%0.49160%0.596SS.*Hα-helixtrans-59.4-41.7-178.7-170.3173.2175164.3-0.1112.8P142 E143 S149 E150P142-R146 PolarHBondContact O-N 3.38Å; E143-R146 PolarHBondContact O-N 3.44Å; R146-S149 PolarHBondContact O-N 2.97Å; R146-S149 PolarHBondContact O-OG 3.43Å; R146-E150 PolarHBondContact O-N 2.9Å
147R42.8Very low44.2Very low160 Ų160117.5 Ų117.560%0.60460%0.596SS**Hα-helixtrans-67.2-33.9175.2-64.4-177.3-158.9-176.96.5112.9E143 V145 E150 V151E143-R147 PolarHBondContact O-N 3.13Å; E143-R147 VanDerWaalsContact O-N 3.07Å; E143-R147 IonicContact OE2-CZ 2.96Å; E143-R147 IonicContact OE2-NE 2.74Å; E143-R147 IonicContact OE2-NH2 3.3Å; E143-R147 PolarHBondContact OE2-NH2 3.02Å; V145-R147 PolarHBondContact O-N 3.39Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-V151 WeakPolarHBondContact O-CG2 3.42Å; R147-V151 PolarHBondContact O-N 2.97Å; R147-V151 VanDerWaalsContact O-N 3.16Å
148K42.3Very low43.4Very low136 Ų136123.7 Ų123.759%0.59162%0.621SS**Hα-helixtrans-66-40.5175.8-79.4-175174.5-1750111.9V145 V151 L152V145-K148 WeakPolarHBondContact O-CB 3.48Å; V145-K148 PolarHBondContact O-N 3.33Å; V145-K148 VanDerWaalsContact O-N 3.07Å; K148-V151 PolarHBondContact O-N 2.76Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.12Å
149S44.6Very low42.5Very low54 Ų54129.2 Ų129.238%0.37864%0.644SS.*Hα-helixtrans-62-45.417438.10000112.5V145 R146 V151 L152 W153V145-S149 PolarHBondContact O-N 2.99Å; V145-S149 VanDerWaalsContact O-N 3.15Å; V145-S149 PolarHBondContact O-OG 2.95Å; R146-S149 PolarHBondContact O-N 2.97Å; R146-S149 PolarHBondContact O-OG 3.43Å; S149-V151 VanDerWaalsContact C-N 3.32Å; S149-V151 PolarHBondContact O-N 2.91Å; S149-L152 PolarHBondContact O-N 2.75Å; S149-W153 PolarHBondContact O-N 2.96Å; S149-W153 VanDerWaalsContact O-N 3.12Å
150E42.7Very low41.7Very low105 Ų105127.8 Ų127.849%0.49164%0.642SS.*Hα-helixtrans-65.1-32.2-179.4-72.1172.8178.200113.3R146 R147 R154R146-E150 PolarHBondContact O-N 2.9Å; R147-E150 PolarHBondContact O-N 3.4Å; E150-R154 PolarHBondContact O-N 2.9Å
151V44.6Very low40.9Very low95 Ų95128.6 Ų128.658%0.57665%0.648SS**Hα-helixtrans-73.1-38.6174.8172.50000111.9R147 K148 S149 R154 S155R147-V151 WeakPolarHBondContact O-CG2 3.42Å; R147-V151 PolarHBondContact O-N 2.97Å; R147-V151 VanDerWaalsContact O-N 3.16Å; K148-V151 PolarHBondContact O-N 2.76Å; S149-V151 VanDerWaalsContact C-N 3.32Å; S149-V151 PolarHBondContact O-N 2.91Å; V151-R154 PolarHBondContact O-N 2.67Å; V151-S155 PolarHBondContact O-N 3.47Å; V151-S155 PolarHBondContact O-OG 2.98Å
152L37.7Very low39.3Very low133 Ų133130 Ų13070%0.69667%0.673SS**Hα-helixtrans-64.2-41.7177.5-168.667.6000111.3K148 S149 R154 S155K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.12Å; S149-L152 PolarHBondContact O-N 2.75Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å; L152-S155 PolarHBondContact O-N 3.27Å; L152-S155 VanDerWaalsContact O-N 3.14Å
153W33.7Very low37.9Very low218 Ų218138 Ų13883%0.82670%0.696SS**Hα-helixtrans-66-26.5175.7-68.5119.6000114.1S149S149-W153 PolarHBondContact O-N 2.96Å; S149-W153 VanDerWaalsContact O-N 3.12Å
154R32.7Very low37.2Very low221 Ų221136.3 Ų136.383%0.83470%0.698SS**Hα-helixtrans-81.6-10.6173.4-74.1-171.9-175.5-136.43.7114.4E150 V151 L152 G156E150-R154 PolarHBondContact O-N 2.9Å; V151-R154 PolarHBondContact O-N 2.67Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å; R154-G156 VanDerWaalsContact C-N 3.35Å
155S31.2Very low36.4Very low90 Ų90136.8 Ų136.863%0.62970%0.697SS**THydrogen-bonded Turntrans-93.18.1-176-54.40000113.4V151 L152V151-S155 PolarHBondContact O-N 3.47Å; V151-S155 PolarHBondContact O-OG 2.98Å; L152-S155 PolarHBondContact O-N 3.27Å; L152-S155 VanDerWaalsContact O-N 3.14Å
156G32.8Very low35.4Very low67 Ų67142.7 Ų142.769%0.69171%0.711SS**THydrogen-bonded Turntrans-96.4-4.5-176.400000116R154R154-G156 VanDerWaalsContact C-N 3.35Å
157E35Very low34.6Very low179 Ų179143.4 Ų143.484%0.83672%0.723SS**SBendtrans-132.867.6-175.9-67.7-170.4149.400112
158E33Very low34.2Very low194 Ų194144.4 Ų144.491%0.90773%0.732SS**  trans-171.278.8157.2-112.9170.9-146.400113
159E29.1Very low33.7Very low200 Ų200145.9 Ų145.994%0.93574%0.741SS**  trans-14794.7154.4-90.2-145.3157.600111.5
160A29.6Very low33Very low86 Ų86147.5 Ų147.571%0.71175%0.752SS**  trans-169.910515000000111.1
161H31.8Very low32.6Very low198 Ų198150.4 Ų150.492%0.91777%0.77SS**  trans150.7140.3135.5-85.662.1000112.9
162G29.3Very low31.9Very low82 Ų82149.9 Ų149.985%0.84578%0.775SS**  trans10477.3150.100000117.6
163Y28.4Very low31.5Very low236 Ų236149.5 Ų149.593%0.92578%0.784SS**  trans-101.2118.8158.6-147.5-89.3000109.3
164S31.2Very low31.5Very low92 Ų92144.3 Ų144.364%0.64378%0.781SS**  trans160.8143.5133.8-167.20000114.5
165N31.2Very low31.9Very low117 Ų117142.5 Ų142.563%0.62678%0.782SS**  trans78.9104155.1-76.6-39.9000122.1
166R32.4Very low32.1Very low204 Ų204147.8 Ų147.877%0.7780%0.797SS**  115.7132.6105-85.1177.8-152-146.17.9120.5
167L30.8Very low32.2Very low144 Ų144152 Ų15275%0.75480%0.803SS**  trans56.6121.2157.2-79.673.3000116.9
168K35.1Very low32.3Very low182 Ų182151.3 Ų151.379%0.79181%0.805SS**  70.413652.4-76.7-162.6171.3-174.30115.6
169H31.6Very low32.6Very low167 Ų167149.7 Ų149.777%0.77380%0.798SS**  trans82.1142.5174.4-60.1-73.8000115.9
170S30.3Very low33.2Very low87 Ų87143.8 Ų143.861%0.60878%0.783SS**  cis-175.7143-19.9-116.50000109.5
171L32.6Very low33.7Very low166 Ų166149.1 Ų149.187%0.86979%0.791SS**  trans65.8156.5151-60.4167.6000117
172A30.1Very low33.9Very low84 Ų84146.3 Ų146.369%0.69478%0.782SS**  cis-161169.2-3.900000110.9
173S30.8Very low34.5Very low125 Ų125147.5 Ų147.587%0.87477%0.774SS**  trans64153.4161-109.20000118.5
174S32.5Very low35.2Very low109 Ų109142 Ų14276%0.76277%0.767SS**  cis-145166.64.551.90000111.5
175E40.3Very low35.9Very low183 Ų183146.7 Ų146.786%0.85578%0.776SS**  trans-79.2153175.9-60.4167.3160.100111.8
176E35.4Very low36.4Very low202 Ų202152.6 Ų152.694%0.94479%0.79SS**  -175.9155125.4-101171.6-153.400111.3
177D35Very low36.7Very low154 Ų154154 Ų15482%0.82480%0.795SS**  trans-74.8153.6-169.5-78.2-51.8000114.8
178D37.6Very low37.3Very low165 Ų165151.4 Ų151.488%0.88279%0.794SS**  trans-152.9112.5137.7-121.9-23.2000111.2A180D178-A180 PolarHBondContact O-N 3.33Å
179E39.6Very low37.8Very low161 Ų161148.4 Ų148.475%0.75279%0.791SS**  trans-75.686.3-177.8-102.3-74.617300111.5
180A41.1Very low38.3Very low75 Ų75148.3 Ų148.362%0.6279%0.791SS**  trans-91.7110.8165.300000110.2D178 L182D178-A180 PolarHBondContact O-N 3.33Å; A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 2.92Å
181F39.7Very low39.2Very low199 Ų199148.3 Ų148.387%0.87380%0.796SS**  trans-54.782.8171.8-101.3-106000112
182L37.8Very low40.2Very low139 Ų139148.3 Ų148.373%0.72879%0.789SS**PPolyproline II helixtrans-73.4124.6166.8-66.6179000107.4A180A180-L182 VanDerWaalsContact C-N 3.27Å; A180-L182 PolarHBondContact O-N 2.92Å
183P40.3Very low41.6Very low106 Ų106151.8 Ų151.869%0.68879%0.793SS**PPolyproline II helixtrans-55.3135.8173.924.6-33.2000107.6K185P183-K185 PolarHBondContact O-N 3.42Å
184P44.5Very low43.7Very low121 Ų121151.9 Ų151.979%0.78678%0.783SS**PPolyproline II helixtrans-52.4116.6-170.721.2-33.1000107.1R186P184-R186 PolarHBondContact O-N 3.36Å
185K44.4Very low46.4Very low190 Ų190147.2 Ų147.283%0.82675%0.751SS**  trans-39.5106.3-173.2-76.4174.6179.5170.40105.8P183 R187P183-K185 PolarHBondContact O-N 3.42Å; K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 3.06Å
186R42.3Very low48.9Very low242 Ų242142.1 Ų142.191%0.91372%0.724SS**  trans-51.6114.3175.6-77.5-172.8-178.6-1681.2101.7P184 A188P184-R186 PolarHBondContact O-N 3.36Å; R186-A188 PolarHBondContact O-N 2.95Å
187R39.9Very low51.7Low233 Ų233133.1 Ų133.188%0.87968%0.681SS**  trans-49.1109.5166.5-93179.2163.4170.2-5.7101K185 V189K185-R187 VanDerWaalsContact C-N 3.32Å; K185-R187 PolarHBondContact O-N 3.06Å; R187-V189 PolarHBondContact O-N 3.02Å
188A42.1Very low54.5Low89 Ų89131.7 Ų131.774%0.73667%0.669SS**  trans-55.1106.3166.200000100R186 Q190R186-A188 PolarHBondContact O-N 2.95Å; A188-Q190 PolarHBondContact O-N 3.42Å
189V45Very low57.2Low119 Ų119126.7 Ų126.772%0.72165%0.648SS**  trans-52109.3171.4174.3000099.7R187 A191R187-V189 PolarHBondContact O-N 3.02Å; V189-A191 VanDerWaalsContact C-N 3.28Å; V189-A191 PolarHBondContact O-N 2.91Å
190Q43.3Very low59.9Low166 Ų166121 Ų12178%0.77662%0.621SS**  trans-47.9115173.4-83.9172.9-47.300101.1A188 F192A188-Q190 PolarHBondContact O-N 3.42Å; Q190-F192 WeakPolarHBondContact O-CD2 3.37Å; Q190-F192 PolarHBondContact O-N 2.77Å
191A48.3Very low62.5Low87 Ų87117.5 Ų117.572%0.71959%0.592SS**  trans-62.595.9177.800000101.4V189 M193V189-A191 VanDerWaalsContact C-N 3.28Å; V189-A191 PolarHBondContact O-N 2.91Å; A191-M193 PolarHBondContact O-N 3.39Å
192F54.4Low65.3Low165 Ų165111.9 Ų111.972%0.72457%0.57SS**  trans-45.4125.4173.9-88.2-94.9000102Q190 L194Q190-F192 WeakPolarHBondContact O-CD2 3.37Å; Q190-F192 PolarHBondContact O-N 2.77Å; F192-L194 WeakPolarHBondContact O-CG 2.87Å; F192-L194 PolarHBondContact O-N 2.99Å
193M60.3Low68.1Low158 Ų158109.6 Ų109.678%0.77856%0.556SS**  trans-71.577.2-171.8-64-158.8-5700106.7A191 S195A191-M193 PolarHBondContact O-N 3.39Å; M193-S195 PolarHBondContact O-N 2.76Å; M193-S195 VanDerWaalsContact O-N 3.13Å
194L73.7Confident70.8Confident126 Ų126108.7 Ų108.766%0.6655%0.545SS*.  trans-60.6117.3177.9-69174000103.8F192 R196F192-L194 WeakPolarHBondContact O-CG 2.87Å; F192-L194 PolarHBondContact O-N 2.99Å; L194-R196 PolarHBondContact O-N 2.79Å
195S89.4Confident73.3Confident12 Ų12107.5 Ų107.58%0.08453%0.529CS..  trans-49.9140.2175.8139.60000108.2M193 Y197 E198 S199 E270M193-S195 PolarHBondContact O-N 2.76Å; M193-S195 VanDerWaalsContact O-N 3.13Å; S195-Y197 PolarHBondContact O-N 3.28Å; S195-Y197 VanDerWaalsContact OG-CB 3.3Å; S195-Y197 WeakPolarHBondContact OG-CB 3.45Å; S195-Y197 PolarHBondContact OG-N 2.89Å; S195-Y197 VanDerWaalsContact OG-N 3.16Å; S195-E198 PolarHBondContact O-N 2.85Å; S195-E198 PolarHBondContact OG-N 2.82Å; S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.37Å; S195-S199 PolarHBondContact O-OG 3.49Å; S195-E270 WeakPolarHBondContact CB-OE1 3.27Å; S195-E270 VanDerWaalsContact OG-CD 3.25Å; S195-E270 PolarHBondContact OG-OE1 3.45Å; S195-E270 PolarHBondContact OG-OE2 3.12Å
196R93.2Very high75.7Confident76 Ų76101.4 Ų101.429%0.28751%0.509SS..Hα-helixtrans-61.3-39.6177-177.7-174.7173.7-136.3-21.8108.6L194 S199 E200 S266 E270L194-R196 PolarHBondContact O-N 2.79Å; R196-S199 PolarHBondContact O-OG 2.95Å; R196-E200 HydrophobicContact CG-CG 4.18Å; R196-E200 VanDerWaalsContact CG-OE1 3.25Å; R196-E200 WeakPolarHBondContact CG-OE1 3.38Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact CZ-OE2 2.66Å; R196-E200 VanDerWaalsContact CZ-OE2 3.3Å; R196-E200 IonicContact NE-OE1 3.37Å; R196-E200 PolarHBondContact NE-OE1 2.9Å; R196-E200 IonicContact NE-OE2 2.68Å; R196-E200 PolarHBondContact NE-OE2 3.27Å; R196-E200 VanDerWaalsContact NE-OE2 3.08Å; R196-E200 IonicContact NH2-OE1 3.43Å; R196-E200 IonicContact NH2-OE2 2.78Å; R196-E200 PolarHBondContact NH2-OE2 2.98Å; R196-E200 VanDerWaalsContact O-CB 3.29Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 2.92Å; R196-S266 PolarHBondContact NH1-OG 3.35Å; R196-S266 VanDerWaalsContact NH1-OG 3.14Å; R196-E270 WeakPolarHBondContact CB-OE2 3.4Å; R196-E270 PolarHBondContact N-OE2 2.88Å
197Y94.7Very high78.2Confident12 Ų1293.7 Ų93.75%0.04749%0.489CS..Hα-helixtrans-56.4-52.3171.6-177.8-109.3000112.9S195 S199 F201 Q203 Y216 C218 V229 W268 E270 L275S195-Y197 PolarHBondContact O-N 3.28Å; S195-Y197 VanDerWaalsContact OG-CB 3.3Å; S195-Y197 WeakPolarHBondContact OG-CB 3.45Å; S195-Y197 PolarHBondContact OG-N 2.89Å; S195-Y197 VanDerWaalsContact OG-N 3.16Å; Y197-S199 VanDerWaalsContact C-N 3.35Å; Y197-S199 PolarHBondContact O-N 3.31Å; Y197-F201 HydrophobicContact CD2-CB 4.35Å; Y197-F201 HydrophobicContact CD2-CD2 4.26Å; Y197-F201 HydrophobicContact CD2-CG 4.44Å; Y197-F201 HydrophobicContact CE2-CB 4.49Å; Y197-F201 WeakPolarHBondContact O-CA 3.46Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 2.72Å; Y197-Q203 PolarHBondContact OH-OE1 2.93Å; Y197-Y216 WeakPolarHBondContact OH-CB 3.39Å; Y197-C218 PolarHBondContact OH-SG 3.21Å; Y197-V229 HydrophobicContact CD2-CG1 3.93Å; Y197-V229 HydrophobicContact CE2-CB 3.9Å; Y197-V229 HydrophobicContact CE2-CG1 3.69Å; Y197-V229 HydrophobicContact CE2-CG2 4.24Å; Y197-W268 HydrophobicContact CD2-CZ2 4.37Å; Y197-E270 VanDerWaalsContact CB-OE1 3.23Å; Y197-E270 WeakPolarHBondContact CB-OE1 3.19Å; Y197-E270 PolarHBondContact N-OE2 2.74Å; Y197-L275 HydrophobicContact CD2-CD2 3.82Å; Y197-L275 HydrophobicContact CG-CD2 3.84Å
198E93.4Very high80.5Confident124 Ų12484 Ų8458%0.57946%0.462SS*.Hα-helixtrans-66.4-34.6-177.8-68.5-178.3164.500113.5S195S195-E198 PolarHBondContact O-N 2.85Å; S195-E198 PolarHBondContact OG-N 2.82Å
199S93.7Very high82.8Confident61 Ų6184.1 Ų84.143%0.42745%0.453SS..Hα-helixtrans-84-34.6-177.955.10000114.3S195 R196 Y197 R221S195-S199 WeakPolarHBondContact O-CB 3.48Å; S195-S199 PolarHBondContact O-N 3.37Å; S195-S199 PolarHBondContact O-OG 3.49Å; R196-S199 PolarHBondContact O-OG 2.95Å; Y197-S199 VanDerWaalsContact C-N 3.35Å; Y197-S199 PolarHBondContact O-N 3.31Å; S199-R221 VanDerWaalsContact O-CD 3.32Å; S199-R221 WeakPolarHBondContact O-CD 3.32Å
200E95.4Very high84.5Confident40 Ų4080.2 Ų80.219%0.18744%0.437CS..Hα-helixtrans-91.4-23.8177.3-68.9-179.9-160.500113R196 R221R196-E200 HydrophobicContact CG-CG 4.18Å; R196-E200 VanDerWaalsContact CG-OE1 3.25Å; R196-E200 WeakPolarHBondContact CG-OE1 3.38Å; R196-E200 IonicContact CZ-OE1 3.76Å; R196-E200 IonicContact CZ-OE2 2.66Å; R196-E200 VanDerWaalsContact CZ-OE2 3.3Å; R196-E200 IonicContact NE-OE1 3.37Å; R196-E200 PolarHBondContact NE-OE1 2.9Å; R196-E200 IonicContact NE-OE2 2.68Å; R196-E200 PolarHBondContact NE-OE2 3.27Å; R196-E200 VanDerWaalsContact NE-OE2 3.08Å; R196-E200 IonicContact NH2-OE1 3.43Å; R196-E200 IonicContact NH2-OE2 2.78Å; R196-E200 PolarHBondContact NH2-OE2 2.98Å; R196-E200 VanDerWaalsContact O-CB 3.29Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 2.92Å; E200-R221 WeakPolarHBondContact O-CB 3.45Å; E200-R221 WeakPolarHBondContact O-CG 3.48Å; E200-R221 PolarHBondContact O-N 3.02Å
201F97.3Very high86Confident3 Ų379.5 Ų79.51%0.01343%0.434CS..EExtended strand (participates in β ladder)trans-123.2148.1-172.4-58.8-95.4000113.5Y197 C218 V219 N220 R221 Y227 V229 W268 Q277Y197-F201 HydrophobicContact CD2-CB 4.35Å; Y197-F201 HydrophobicContact CD2-CD2 4.26Å; Y197-F201 HydrophobicContact CD2-CG 4.44Å; Y197-F201 HydrophobicContact CE2-CB 4.49Å; Y197-F201 WeakPolarHBondContact O-CA 3.46Å; Y197-F201 VanDerWaalsContact O-CB 3.27Å; Y197-F201 WeakPolarHBondContact O-CB 3.43Å; Y197-F201 PolarHBondContact O-N 2.72Å; F201-C218 HydrophobicContact CB-CB 4.12Å; F201-C218 HydrophobicContact CD1-CB 3.89Å; F201-C218 HydrophobicContact CG-CB 4.38Å; F201-V219 CarbonylContact C-O 3.58Å; F201-V219 WeakPolarHBondContact CA-O 3.22Å; F201-N220 HydrophobicContact CD1-CB 4.03Å; F201-N220 HydrophobicContact CE1-CB 3.87Å; F201-R221 VanDerWaalsContact C-NE 3.31Å; F201-R221 PolarHBondContact O-NE 3.15Å; F201-R221 PolarHBondContact O-NH2 3.34Å; F201-Y227 HydrophobicContact CE1-CD2 4.15Å; F201-Y227 HydrophobicContact CE1-CG 4.39Å; F201-V229 HydrophobicContact CD1-CG2 4.28Å; F201-V229 HydrophobicContact CE1-CG2 4.22Å; F201-W268 HydrophobicContact CD2-CH2 4.34Å; F201-W268 AromaticContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CZ2 4.09Å; F201-W268 HydrophobicContact CE2-CZ3 4.44Å; F201-W268 HydrophobicContact CZ-CH2 4Å; F201-Q277 HydrophobicContact CE1-CG 4.23Å; F201-Q277 HydrophobicContact CZ-CG 4.17Å
202L97.3Very high87.4Confident80 Ų8078.7 Ų78.742%0.41941%0.414SS..EExtended strand (participates in β ladder)trans-105.6106.6162.8176.364.6000107.8L204 C218 V219L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CG-CD2 4.17Å; L202-L204 PolarHBondContact O-N 3.14Å; L202-C218 CarbonylContact O-C 3.47Å; L202-C218 VanDerWaalsContact O-CA 3.31Å; L202-C218 WeakPolarHBondContact O-CA 3.41Å; L202-V219 HydrophobicContact CB-CB 4.43Å; L202-V219 PolarHBondContact N-O 2.83Å; L202-V219 PolarHBondContact O-N 3Å
203Q97.1Very high89Confident92 Ų9271.1 Ų71.143%0.4338%0.382SS..EExtended strand (participates in β ladder)trans-65.6127.8171.7-177.4177.6-59.500109.9Y197 Y216Y197-Q203 PolarHBondContact OH-OE1 2.93Å; Q203-Y216 VanDerWaalsContact CD-CD1 3.41Å; Q203-Y216 HydrophobicContact CG-CD1 3.94Å; Q203-Y216 HydrophobicContact CG-CG 4.21Å
204L97.2Very high90.5Very high87 Ų8764 Ų6446%0.45535%0.349SS..EExtended strand (participates in β ladder)trans-98.7-61.2176.7-58.9-174.8000111.4L202 K217 V219 L226L202-L204 HydrophobicContact CD2-CD2 4.18Å; L202-L204 HydrophobicContact CG-CD2 4.17Å; L202-L204 PolarHBondContact O-N 3.14Å; L204-K217 WeakPolarHBondContact CB-O 3.33Å; L204-K217 HydrophobicContact CD1-CD 4.24Å; L204-K217 HydrophobicContact CD1-CG 4.28Å; L204-K217 PolarHBondContact N-O 3.41Å; L204-V219 HydrophobicContact CD1-CG2 3.85Å; L204-V219 HydrophobicContact CD2-CG2 4.32Å; L204-V219 HydrophobicContact CG-CG2 4.2Å; L204-L226 HydrophobicContact CD1-CD2 3.85Å
205E96.4Very high91.5Very high95 Ų9560.1 Ų60.144%0.44433%0.33SS..EExtended strand (participates in β ladder)trans-148.2154.8-172.661.2-169.8157.300111.5V207 Y216 K217E205-V207 HydrophobicContact CG-CG2 4.38Å; E205-Y216 WeakPolarHBondContact O-CA 3.42Å; E205-K217 HydrophobicContact CG-CB 3.87Å; E205-K217 HydrophobicContact CG-CD 3.78Å; E205-K217 HydrophobicContact CG-CG 4.5Å; E205-K217 PolarHBondContact O-N 3.05Å; E205-K217 WeakPolarHBondContact OE1-CD 3.41Å; E205-K217 WeakPolarHBondContact OE1-CE 3.36Å; E205-K217 IonicContact OE1-NZ 2.67Å; E205-K217 PolarHBondContact OE1-NZ 3.46Å
206C96.1Very high91.9Very high62 Ų6262 Ų6242%0.41934%0.336SS..EExtended strand (participates in β ladder)trans-86.2117.1170.7-170.60000108.7V209 Y216C206-V209 VanDerWaalsContact SG-CG2 3.59Å; C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CE1 3.76Å
207V93.5Very high92.1Very high81 Ų8160.1 Ų60.149%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-90.7-33.4-174.3-176.20000111.3E205 V215 K217 Y280E205-V207 HydrophobicContact CG-CG2 4.38Å; V207-V215 PolarHBondContact N-O 2.84Å; V207-K217 HydrophobicContact CG2-CB 3.6Å; V207-Y280 HydrophobicContact CG2-CE2 4.21Å
208G89.1Confident92.3Very high30 Ų3059.5 Ų59.531%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-157.9150.9-177.600000112.6A214 V215G208-A214 CarbonylContact O-C 3.23Å; G208-A214 WeakPolarHBondContact O-CA 3.4Å; G208-V215 PolarHBondContact N-O 3.36Å; G208-V215 PolarHBondContact O-N 2.92Å
209V89.9Confident92.5Very high91 Ų9155.3 Ų55.355%0.55231%0.31SS*.EExtended strand (participates in β ladder)trans-136.7124.4179.6-178.90000108.2C206 A214 R233C206-V209 VanDerWaalsContact SG-CG2 3.59Å; V209-A214 HydrophobicContact CG2-CB 4.3Å; V209-R233 VanDerWaalsContact CG1-CZ 3.47Å
210G79.8Confident92.6Very high36 Ų3652.8 Ų52.837%0.37129%0.292SS..  trans-136.9-170.1-17600000113F212 G213 R233G210-F212 VanDerWaalsContact C-N 3.35Å; G210-G213 PolarHBondContact N-O 2.82Å; G210-R233 WeakPolarHBondContact O-CD 3.27Å; G210-R233 PolarHBondContact O-NH1 3.23Å
211E75.6Confident92.7Very high152 Ų15257.5 Ų57.571%0.7131%0.307SS*.SBendtrans-62.6-44173.9-179.2165.1-168.200111.4G213E211-G213 VanDerWaalsContact C-N 3.33Å; E211-G213 PolarHBondContact O-N 3.38Å
212F77.5Confident92.5Very high70 Ų7064.4 Ų64.431%0.30734%0.344SS..SBendtrans-73.6-18.1-174.8-51.8-59000114.7G210 S232 L244G210-F212 VanDerWaalsContact C-N 3.35Å; F212-S232 WeakPolarHBondContact O-CA 3.41Å; F212-L244 HydrophobicContact CE1-CD1 4.06Å
213G87.5Confident92.4Very high5 Ų564.5 Ų64.55%0.05235%0.345CS..EExtended strand (participates in β ladder)trans162.3-160.7-17300000115G210 E211 R231G210-G213 PolarHBondContact N-O 2.82Å; E211-G213 VanDerWaalsContact C-N 3.33Å; E211-G213 PolarHBondContact O-N 3.38Å; G213-R231 CarbonylContact C-O 3.6Å; G213-R231 WeakPolarHBondContact CA-O 3.44Å
214A92.7Very high92.3Very high10 Ų1062.7 Ų62.78%0.08335%0.351CS..EExtended strand (participates in β ladder)trans-122.7143.6164.900000109.5G208 V209 Y216 R231G208-A214 CarbonylContact O-C 3.23Å; G208-A214 WeakPolarHBondContact O-CA 3.4Å; V209-A214 HydrophobicContact CG2-CB 4.3Å; A214-Y216 HydrophobicContact CB-CE2 3.69Å; A214-R231 PolarHBondContact N-O 2.86Å; A214-R231 PolarHBondContact O-N 3.35Å
215V95.4Very high92.2Very high43 Ų4361.5 Ų61.526%0.26135%0.349SS..EExtended strand (participates in β ladder)trans-108.9126.6177.8-174.90000108.5V207 G208 A228 V229 K230V207-V215 PolarHBondContact N-O 2.84Å; G208-V215 PolarHBondContact N-O 3.36Å; G208-V215 PolarHBondContact O-N 2.92Å; V215-A228 HydrophobicContact CG1-CB 4.07Å; V215-V229 WeakPolarHBondContact CA-O 3.18Å; V215-K230 HydrophobicContact CG2-CB 4.04Å; V215-K230 HydrophobicContact CG2-CG 4.01Å
216Y96.9Very high92.2Very high53 Ų5360.5 Ų60.521%0.20835%0.346CS..EExtended strand (participates in β ladder)trans-114.1141-179.9-59.8-83.1000110.6Y197 Q203 E205 C206 A214 A228 V229 R231Y197-Y216 WeakPolarHBondContact OH-CB 3.39Å; Q203-Y216 VanDerWaalsContact CD-CD1 3.41Å; Q203-Y216 HydrophobicContact CG-CD1 3.94Å; Q203-Y216 HydrophobicContact CG-CG 4.21Å; E205-Y216 WeakPolarHBondContact O-CA 3.42Å; C206-Y216 HydrophobicContact CB-CD1 3.86Å; C206-Y216 HydrophobicContact CB-CE1 3.76Å; A214-Y216 HydrophobicContact CB-CE2 3.69Å; Y216-A228 WeakPolarHBondContact O-CA 3.44Å; Y216-V229 PolarHBondContact N-O 3.38Å; Y216-V229 PolarHBondContact O-N 2.99Å; Y216-R231 HydrophobicContact CE2-CB 4.38Å
217K97.7Very high92.2Very high35 Ų3558.3 Ų58.315%0.15233%0.329CS..EExtended strand (participates in β ladder)trans-82.4124.2165.9177.7-172.3-171164.10107.8L204 E205 V207 L226 Y227 Y280L204-K217 WeakPolarHBondContact CB-O 3.33Å; L204-K217 HydrophobicContact CD1-CD 4.24Å; L204-K217 HydrophobicContact CD1-CG 4.28Å; L204-K217 PolarHBondContact N-O 3.41Å; E205-K217 HydrophobicContact CG-CB 3.87Å; E205-K217 HydrophobicContact CG-CD 3.78Å; E205-K217 HydrophobicContact CG-CG 4.5Å; E205-K217 PolarHBondContact O-N 3.05Å; E205-K217 WeakPolarHBondContact OE1-CD 3.41Å; E205-K217 WeakPolarHBondContact OE1-CE 3.36Å; E205-K217 IonicContact OE1-NZ 2.67Å; E205-K217 PolarHBondContact OE1-NZ 3.46Å; V207-K217 HydrophobicContact CG2-CB 3.6Å; K217-L226 HydrophobicContact CD-CD2 4.48Å; K217-L226 HydrophobicContact CG-CD2 3.99Å; K217-Y227 WeakPolarHBondContact CA-O 3.29Å; K217-Y280 HydrophobicContact CB-CD2 4.27Å; K217-Y280 HydrophobicContact CB-CE2 3.96Å; K217-Y280 HydrophobicContact CD-CD2 4.49Å; K217-Y280 HydrophobicContact CD-CE1 4.12Å; K217-Y280 HydrophobicContact CD-CE2 3.81Å; K217-Y280 VanDerWaalsContact CE-CZ 3.46Å; K217-Y280 WeakPolarHBondContact CE-OH 3.21Å; K217-Y280 HydrophobicContact CG-CD2 3.95Å; K217-Y280 HydrophobicContact CG-CE1 4.38Å; K217-Y280 HydrophobicContact CG-CE2 3.71Å; K217-Y280 HydrophobicContact CG-CG 4.4Å; K217-Y280 PolarHBondContact NZ-OH 3.1Å
218C97.9Very high92.4Very high0 Ų055.4 Ų55.40%031%0.314CS..EExtended strand (participates in β ladder)trans-132142.1-173-63.20000110.3Y197 F201 L202 L226 Y227 V229Y197-C218 PolarHBondContact OH-SG 3.21Å; F201-C218 HydrophobicContact CB-CB 4.12Å; F201-C218 HydrophobicContact CD1-CB 3.89Å; F201-C218 HydrophobicContact CG-CB 4.38Å; L202-C218 CarbonylContact O-C 3.47Å; L202-C218 VanDerWaalsContact O-CA 3.31Å; L202-C218 WeakPolarHBondContact O-CA 3.41Å; C218-L226 CarbonylContact O-C 3.48Å; C218-L226 WeakPolarHBondContact O-CA 3.48Å; C218-Y227 PolarHBondContact N-O 2.82Å; C218-Y227 PolarHBondContact O-N 3.37Å; C218-V229 HydrophobicContact CB-CG2 4.01Å
219V97.9Very high92.7Very high35 Ų3554 Ų5421%0.21230%0.299CS..EExtended strand (participates in β ladder)trans-92126164.3177.10000107.6F201 L202 L204 C225 L226F201-V219 CarbonylContact C-O 3.58Å; F201-V219 WeakPolarHBondContact CA-O 3.22Å; L202-V219 HydrophobicContact CB-CB 4.43Å; L202-V219 PolarHBondContact N-O 2.83Å; L202-V219 PolarHBondContact O-N 3Å; L204-V219 HydrophobicContact CD1-CG2 3.85Å; L204-V219 HydrophobicContact CD2-CG2 4.32Å; L204-V219 HydrophobicContact CG-CG2 4.2Å; V219-C225 WeakPolarHBondContact CA-O 3.43Å; V219-L226 HydrophobicContact CG2-CD2 3.7Å
220N96.6Very high92.9Very high9 Ų951 Ų515%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-74.4130.4167.9-176.9-58.1000108.8F201 L222 D223 G224 C225 Y227F201-N220 HydrophobicContact CD1-CB 4.03Å; F201-N220 HydrophobicContact CE1-CB 3.87Å; N220-L222 VanDerWaalsContact C-N 3.28Å; N220-L222 PolarHBondContact O-N 3.44Å; N220-L222 WeakPolarHBondContact OD1-CB 3.43Å; N220-L222 PolarHBondContact OD1-N 3.19Å; N220-D223 WeakPolarHBondContact CB-OD1 3.1Å; N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.31Å; N220-G224 PolarHBondContact O-N 3.11Å; N220-C225 PolarHBondContact N-O 3.44Å; N220-Y227 HydrophobicContact CB-CD2 3.73Å; N220-Y227 HydrophobicContact CB-CE2 3.54Å
221R96.4Very high93.5Very high138 Ų13852.3 Ų52.352%0.52127%0.272SS..THydrogen-bonded Turntrans-74.5-15.8-172-63.8172.5-175.4-833113.6S199 E200 F201S199-R221 VanDerWaalsContact O-CD 3.32Å; S199-R221 WeakPolarHBondContact O-CD 3.32Å; E200-R221 WeakPolarHBondContact O-CB 3.45Å; E200-R221 WeakPolarHBondContact O-CG 3.48Å; E200-R221 PolarHBondContact O-N 3.02Å; F201-R221 VanDerWaalsContact C-NE 3.31Å; F201-R221 PolarHBondContact O-NE 3.15Å; F201-R221 PolarHBondContact O-NH2 3.34Å
222L94.6Very high94.1Very high149 Ų14945.7 Ų45.778%0.7824%0.243SC*.THydrogen-bonded Turntrans-88.7-41.9-179.1-60176000112.3N220N220-L222 VanDerWaalsContact C-N 3.28Å; N220-L222 PolarHBondContact O-N 3.44Å; N220-L222 WeakPolarHBondContact OD1-CB 3.43Å; N220-L222 PolarHBondContact OD1-N 3.19Å
223D94.7Very high93.9Very high82 Ų8249.3 Ų49.344%0.43926%0.255SS..THydrogen-bonded Turntrans-109.2-10.1-176.460.936.8000114.4N220 C225 Y227N220-D223 WeakPolarHBondContact CB-OD1 3.1Å; D223-C225 PolarHBondContact O-N 2.85Å; D223-C225 WeakPolarHBondContact OD1-CB 3.46Å; D223-C225 PolarHBondContact OD1-N 2.8Å; D223-Y227 PolarHBondContact OD2-OH 3.1Å
224G94.1Very high93.1Very high54 Ų5457.7 Ų57.756%0.55729%0.285SS*.  trans71.45.3-17900000115N220N220-G224 VanDerWaalsContact O-CA 3.27Å; N220-G224 WeakPolarHBondContact O-CA 3.31Å; N220-G224 PolarHBondContact O-N 3.11Å
225C95Very high91.7Very high61 Ų6161 Ų6141%0.41231%0.306SS..  trans-83.7153.7-175.3-62.10000112.2V219 N220 D223 Y227V219-C225 WeakPolarHBondContact CA-O 3.43Å; N220-C225 PolarHBondContact N-O 3.44Å; D223-C225 PolarHBondContact O-N 2.85Å; D223-C225 WeakPolarHBondContact OD1-CB 3.46Å; D223-C225 PolarHBondContact OD1-N 2.8Å; C225-Y227 HydrophobicContact CB-CE2 3.69Å; C225-Y227 VanDerWaalsContact O-CD2 3.32Å; C225-Y227 WeakPolarHBondContact O-CD2 3.27Å
226L96.4Very high90.3Very high75 Ų7559.6 Ų59.639%0.39330%0.296SS..EExtended strand (participates in β ladder)trans-85.6134176.1-73.9169.4000111.6L204 K217 C218 V219 Y280L204-L226 HydrophobicContact CD1-CD2 3.85Å; K217-L226 HydrophobicContact CD-CD2 4.48Å; K217-L226 HydrophobicContact CG-CD2 3.99Å; C218-L226 CarbonylContact O-C 3.48Å; C218-L226 WeakPolarHBondContact O-CA 3.48Å; V219-L226 HydrophobicContact CG2-CD2 3.7Å; L226-Y280 HydrophobicContact CB-CD1 3.95Å; L226-Y280 HydrophobicContact CB-CG 4.19Å; L226-Y280 HydrophobicContact CD1-CD1 4.03Å; L226-Y280 HydrophobicContact CD1-CE1 4.29Å
227Y97.4Very high88.5Confident15 Ų1561 Ų616%0.05932%0.319CS..EExtended strand (participates in β ladder)trans-131.2150.1179.1-67.3-81.1000111.5F201 K217 C218 N220 D223 C225 Y265 Q277 N278F201-Y227 HydrophobicContact CE1-CD2 4.15Å; F201-Y227 HydrophobicContact CE1-CG 4.39Å; K217-Y227 WeakPolarHBondContact CA-O 3.29Å; C218-Y227 PolarHBondContact N-O 2.82Å; C218-Y227 PolarHBondContact O-N 3.37Å; N220-Y227 HydrophobicContact CB-CD2 3.73Å; N220-Y227 HydrophobicContact CB-CE2 3.54Å; D223-Y227 PolarHBondContact OD2-OH 3.1Å; C225-Y227 HydrophobicContact CB-CE2 3.69Å; C225-Y227 VanDerWaalsContact O-CD2 3.32Å; C225-Y227 WeakPolarHBondContact O-CD2 3.27Å; Y227-Y265 AromaticContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CE2 4.13Å; Y227-Y265 HydrophobicContact CD1-CG 4.36Å; Y227-Y265 AromaticContact CE1-CD1 3.91Å; Y227-Y265 HydrophobicContact CE1-CD1 3.91Å; Y227-Y265 AromaticContact CE1-CD2 3.57Å; Y227-Y265 HydrophobicContact CE1-CD2 3.57Å; Y227-Y265 AromaticContact CE1-CE1 3.95Å; Y227-Y265 HydrophobicContact CE1-CE1 3.95Å; Y227-Y265 AromaticContact CE1-CE2 3.6Å; Y227-Y265 HydrophobicContact CE1-CE2 3.6Å; Y227-Y265 AromaticContact CE1-CG 3.72Å; Y227-Y265 HydrophobicContact CE1-CG 3.72Å; Y227-Y265 AromaticContact CE1-CZ 3.79Å; Y227-Q277 HydrophobicContact CD1-CG 3.63Å; Y227-Q277 HydrophobicContact CE1-CG 4.33Å; Y227-Q277 HydrophobicContact CG-CG 3.93Å; Y227-N278 WeakPolarHBondContact CA-O 3.46Å; Y227-N278 WeakPolarHBondContact CD1-O 3.21Å
228A97.4Very high86.8Confident20 Ų2063.1 Ų63.117%0.16535%0.35CS..EExtended strand (participates in β ladder)trans-96.2113.5164.400000108.3V215 Y216 N278V215-A228 HydrophobicContact CG1-CB 4.07Å; Y216-A228 WeakPolarHBondContact O-CA 3.44Å; A228-N278 PolarHBondContact N-O 2.9Å; A228-N278 PolarHBondContact O-N 3.41Å
229V96.3Very high85.4Confident0 Ų065 Ų650%036%0.363CS..EExtended strand (participates in β ladder)trans-107.5109178.3-173.60000109.6Y197 F201 V215 Y216 C218 W268 L275 I276 Q277Y197-V229 HydrophobicContact CD2-CG1 3.93Å; Y197-V229 HydrophobicContact CE2-CB 3.9Å; Y197-V229 HydrophobicContact CE2-CG1 3.69Å; Y197-V229 HydrophobicContact CE2-CG2 4.24Å; F201-V229 HydrophobicContact CD1-CG2 4.28Å; F201-V229 HydrophobicContact CE1-CG2 4.22Å; V215-V229 WeakPolarHBondContact CA-O 3.18Å; Y216-V229 PolarHBondContact N-O 3.38Å; Y216-V229 PolarHBondContact O-N 2.99Å; C218-V229 HydrophobicContact CB-CG2 4.01Å; V229-W268 HydrophobicContact CG1-CH2 4.35Å; V229-L275 HydrophobicContact CG1-CB 4.39Å; V229-L275 HydrophobicContact CG1-CD2 4.35Å; V229-I276 CarbonylContact C-O 3.58Å; V229-I276 WeakPolarHBondContact CA-O 3.08Å; V229-Q277 HydrophobicContact CG2-CB 4.49Å; V229-Q277 HydrophobicContact CG2-CG 4.45Å
230K93.7Very high83.9Confident29 Ų2966.9 Ų66.913%0.12638%0.383CS..EExtended strand (participates in β ladder)trans-84.5113.2174.9-175.1-176.8-165.3-179.20108.2V215 E248 L275 I276 D366V215-K230 HydrophobicContact CG2-CB 4.04Å; V215-K230 HydrophobicContact CG2-CG 4.01Å; K230-E248 IonicContact NZ-OE1 2.79Å; K230-E248 PolarHBondContact NZ-OE1 3.01Å; K230-E248 IonicContact NZ-OE2 2.91Å; K230-E248 PolarHBondContact NZ-OE2 2.88Å; K230-L275 CarbonylContact O-C 3.59Å; K230-L275 VanDerWaalsContact O-CA 3.29Å; K230-L275 WeakPolarHBondContact O-CA 3.39Å; K230-I276 HydrophobicContact CB-CB 4.39Å; K230-I276 PolarHBondContact N-O 3.2Å; K230-I276 PolarHBondContact O-N 3.38Å; K230-D366 IonicContact NZ-OD1 3.08Å; K230-D366 PolarHBondContact NZ-OD1 2.94Å
231R92Very high82.5Confident63 Ų6369.1 Ų69.124%0.23840%0.395CS..EExtended strand (participates in β ladder)trans-103.9128.4173.7-179176.6179.1157.27.8109.3G213 A214 Y216 D271 H273 L275G213-R231 CarbonylContact C-O 3.6Å; G213-R231 WeakPolarHBondContact CA-O 3.44Å; A214-R231 PolarHBondContact N-O 2.86Å; A214-R231 PolarHBondContact O-N 3.35Å; Y216-R231 HydrophobicContact CE2-CB 4.38Å; R231-D271 IonicContact NH2-OD2 3.77Å; R231-H273 HydrophobicContact CG-CB 4.13Å; R231-H273 PolarHBondContact NH2-ND1 2.89Å; R231-L275 HydrophobicContact CB-CG 4.15Å; R231-L275 HydrophobicContact CG-CD1 4.03Å; R231-L275 HydrophobicContact CG-CG 4.07Å
232S87.5Confident81.5Confident13 Ų1365.9 Ų65.99%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-62.6161.8177.4740000112.2F212 R234 L236 H273 M274F212-S232 WeakPolarHBondContact O-CA 3.41Å; S232-R234 PolarHBondContact OG-O 3.38Å; S232-L236 WeakPolarHBondContact OG-CD1 3.27Å; S232-H273 PolarHBondContact O-CD2 3.08Å; S232-H273 VanDerWaalsContact OG-CA 3.3Å; S232-H273 WeakPolarHBondContact OG-CA 3.38Å; S232-M274 PolarHBondContact N-O 3.41Å; S232-M274 PolarHBondContact OG-N 2.95Å
233R73.6Confident80.5Confident146 Ų14664.3 Ų64.355%0.55137%0.374SS*.SBendtrans-97.5-10.7-175.4-106.5168.7163.6-160-13.4115.5V209 G210V209-R233 VanDerWaalsContact CG1-CZ 3.47Å; G210-R233 WeakPolarHBondContact O-CD 3.27Å; G210-R233 PolarHBondContact O-NH1 3.23Å
234R70.7Confident79.5Confident182 Ų18261.2 Ų61.269%0.68736%0.358SS*.SBendtrans-142.3155.1-175.7-66.3-176.4-178.81662.9109.6S232 L236S232-R234 PolarHBondContact OG-O 3.38Å; R234-L236 PolarHBondContact O-N 2.8Å
235P64.1Low78.5Confident80 Ų8059.3 Ų59.352%0.51934%0.336SS..  trans-47.3118.4157.7-29.237.6000110.1D272P235-D272 WeakPolarHBondContact CA-O 3.31Å; P235-D272 HydrophobicContact CB-CB 3.65Å; P235-D272 HydrophobicContact CG-CB 4.01Å
236L64.7Low77.9Confident13 Ų1360.9 Ų60.97%0.06834%0.34CS..  trans-89.5-25.7-172.6-80.7169.1000113.9S232 R234 G238 S239 N241 E242 A245 D272 M274S232-L236 WeakPolarHBondContact OG-CD1 3.27Å; R234-L236 PolarHBondContact O-N 2.8Å; L236-G238 PolarHBondContact O-N 3.06Å; L236-S239 VanDerWaalsContact O-CB 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 2.95Å; L236-S239 PolarHBondContact O-OG 2.99Å; L236-N241 HydrophobicContact CD2-CB 3.54Å; L236-E242 HydrophobicContact CB-CB 4.46Å; L236-E242 HydrophobicContact CB-CG 4.46Å; L236-E242 WeakPolarHBondContact O-CB 3.21Å; L236-A245 HydrophobicContact CD1-CB 4.03Å; L236-D272 PolarHBondContact N-O 2.74Å; L236-D272 VanDerWaalsContact N-O 3.12Å; L236-M274 HydrophobicContact CD1-CB 3.5Å; L236-M274 HydrophobicContact CD1-CG 3.38Å
237A60.6Low77.2Confident83 Ų8359 Ų5969%0.68633%0.329SS*.THydrogen-bonded Turntrans-50.5121.3-172.700000113.5S239A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.82Å
238G60.5Low76.7Confident78 Ų7858.7 Ų58.780%0.80433%0.328SS*.THydrogen-bonded Turntrans78.34.6178.900000115.5L236 E242L236-G238 PolarHBondContact O-N 3.06Å; G238-E242 WeakPolarHBondContact CA-OE2 3.38Å; G238-E242 PolarHBondContact N-OE2 3.47Å
239S69.9Low76.2Confident39 Ų3959.1 Ų59.127%0.27333%0.329SS..SBendtrans-93.6157.5-177.775.50000113.3L236 A237 N241 E242L236-S239 VanDerWaalsContact O-CB 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.32Å; L236-S239 PolarHBondContact O-N 2.95Å; L236-S239 PolarHBondContact O-OG 2.99Å; A237-S239 VanDerWaalsContact C-N 3.32Å; A237-S239 PolarHBondContact O-N 2.82Å; S239-N241 PolarHBondContact O-N 2.79Å; S239-N241 PolarHBondContact OG-N 3.46Å; S239-E242 WeakPolarHBondContact O-CB 3.46Å; S239-E242 PolarHBondContact O-N 2.84Å; S239-E242 PolarHBondContact OG-N 2.9Å
240A65.5Low75.7Confident76 Ų7666.7 Ų66.763%0.62836%0.358SS*.Hα-helixtrans-57.8-33.2170.600000112.1E242 Q243A240-E242 PolarHBondContact O-N 2.89Å; A240-Q243 PolarHBondContact O-N 2.87Å
241N67.6Low75.4Confident56 Ų5665.3 Ų65.330%0.29935%0.353SS..Hα-helixtrans-69.6-20.4178.6-63.222.9000112.4L236 S239 Q243 L244 A245L236-N241 HydrophobicContact CD2-CB 3.54Å; S239-N241 PolarHBondContact O-N 2.79Å; S239-N241 PolarHBondContact OG-N 3.46Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; N241-L244 PolarHBondContact O-N 2.82Å; N241-A245 PolarHBondContact O-N 2.89Å
242E74.7Confident75.1Confident69 Ų6962.6 Ų62.632%0.32234%0.342SS..Hα-helixtrans-62.8-43171.7-161.8176.8-164.600110.8L236 G238 S239 A240 L244 A245 L246L236-E242 HydrophobicContact CB-CB 4.46Å; L236-E242 HydrophobicContact CB-CG 4.46Å; L236-E242 WeakPolarHBondContact O-CB 3.21Å; G238-E242 WeakPolarHBondContact CA-OE2 3.38Å; G238-E242 PolarHBondContact N-OE2 3.47Å; S239-E242 WeakPolarHBondContact O-CB 3.46Å; S239-E242 PolarHBondContact O-N 2.84Å; S239-E242 PolarHBondContact OG-N 2.9Å; A240-E242 PolarHBondContact O-N 2.89Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.38Å; E242-A245 PolarHBondContact O-N 2.9Å; E242-L246 HydrophobicContact CG-CD1 4.12Å; E242-L246 WeakPolarHBondContact O-CB 3.25Å; E242-L246 VanDerWaalsContact O-CG 3.26Å; E242-L246 WeakPolarHBondContact O-CG 3.27Å; E242-L246 PolarHBondContact O-N 2.75Å
243Q73.7Confident75Confident117 Ų11765.4 Ų65.455%0.54737%0.366SS..Hα-helixtrans-65.4-34.6178.5-59.4-169.218.500111.5A240 N241 K247A240-Q243 PolarHBondContact O-N 2.87Å; N241-Q243 VanDerWaalsContact C-N 3.33Å; Q243-K247 WeakPolarHBondContact O-CB 3.41Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.29Å; Q243-K247 PolarHBondContact O-N 3.46Å
244L73.1Confident75.7Confident17 Ų1760.7 Ų60.79%0.08935%0.354CS..Hα-helixtrans-65.9-46.2172.6-81163.2000112.4F212 N241 E242 L246 K247 E248 G368F212-L244 HydrophobicContact CE1-CD1 4.06Å; N241-L244 PolarHBondContact O-N 2.82Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.38Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å; L244-K247 HydrophobicContact CD2-CD 4.34Å; L244-K247 WeakPolarHBondContact O-CB 3.34Å; L244-K247 PolarHBondContact O-N 3.3Å; L244-E248 PolarHBondContact O-N 2.86Å; L244-E248 VanDerWaalsContact O-N 3.11Å; L244-G368 WeakPolarHBondContact CD2-O 3.26Å
245A74.3Confident76.5Confident13 Ų1352.1 Ų52.111%0.10732%0.322CS..Hα-helixtrans-62.2-40175.100000111.9L236 N241 E242 E248 V249 M274L236-A245 HydrophobicContact CD1-CB 4.03Å; N241-A245 PolarHBondContact O-N 2.89Å; E242-A245 PolarHBondContact O-N 2.9Å; A245-E248 PolarHBondContact O-N 2.94Å; A245-V249 WeakPolarHBondContact O-CG2 3.23Å; A245-V249 PolarHBondContact O-N 3.3Å; A245-M274 HydrophobicContact CB-CB 4.43Å; A245-M274 HydrophobicContact CB-CG 4.3Å
246L81.4Confident77.5Confident94 Ų9450.5 Ų50.549%0.49232%0.319SS..Hα-helixtrans-69.6-33.1175.8-69.7171.8000112.8E242 L244 Y250E242-L246 HydrophobicContact CG-CD1 4.12Å; E242-L246 WeakPolarHBondContact O-CB 3.25Å; E242-L246 VanDerWaalsContact O-CG 3.26Å; E242-L246 WeakPolarHBondContact O-CG 3.27Å; E242-L246 PolarHBondContact O-N 2.75Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.44Å; L246-Y250 VanDerWaalsContact O-CB 3.23Å; L246-Y250 WeakPolarHBondContact O-CB 3.14Å; L246-Y250 PolarHBondContact O-N 2.76Å
247K82.9Confident78.7Confident35 Ų3554.8 Ų54.815%0.15234%0.339CS..Hα-helixtrans-60.5-48.1171.2-82.4171.6173.8-172.60111.2Q243 L244 V249 Y250 A251 R377 E379Q243-K247 WeakPolarHBondContact O-CB 3.41Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.29Å; Q243-K247 PolarHBondContact O-N 3.46Å; L244-K247 HydrophobicContact CD2-CD 4.34Å; L244-K247 WeakPolarHBondContact O-CB 3.34Å; L244-K247 PolarHBondContact O-N 3.3Å; K247-V249 PolarHBondContact O-N 3.33Å; K247-Y250 PolarHBondContact O-N 3Å; K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.24Å; K247-A251 PolarHBondContact O-N 3.07Å; K247-R377 PolarHBondContact NZ-O 3.15Å; K247-E379 IonicContact NZ-OE1 3.56Å; K247-E379 PolarHBondContact NZ-OE1 3.05Å
248E86.2Confident80.2Confident9 Ų952.3 Ų52.34%0.04231%0.313CS..Hα-helixtrans-59.2-47.5178.8-172.4174.1-175.700111.2K230 L244 A245 A251 H252 I276 L367K230-E248 IonicContact NZ-OE1 2.79Å; K230-E248 PolarHBondContact NZ-OE1 3.01Å; K230-E248 IonicContact NZ-OE2 2.91Å; K230-E248 PolarHBondContact NZ-OE2 2.88Å; L244-E248 PolarHBondContact O-N 2.86Å; L244-E248 VanDerWaalsContact O-N 3.11Å; A245-E248 PolarHBondContact O-N 2.94Å; E248-A251 PolarHBondContact O-N 3.3Å; E248-H252 PolarHBondContact O-CD2 2.94Å; E248-H252 PolarHBondContact O-N 3.12Å; E248-I276 HydrophobicContact CB-CD1 4.2Å; E248-I276 HydrophobicContact CG-CD1 3.92Å; E248-I276 WeakPolarHBondContact OE2-CD1 3.39Å; E248-L367 HydrophobicContact CG-CB 4.33Å
249V86.4Confident81.8Confident30 Ų3051.8 Ų51.818%0.18230%0.296CS..Hα-helixtrans-63.4-43.1176.41750000112.1A245 K247 H252 A253 A267 M274 I276A245-V249 WeakPolarHBondContact O-CG2 3.23Å; A245-V249 PolarHBondContact O-N 3.3Å; K247-V249 PolarHBondContact O-N 3.33Å; V249-H252 PolarHBondContact O-N 3.36Å; V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.43Å; V249-A267 HydrophobicContact CG1-CB 4.41Å; V249-A267 HydrophobicContact CG2-CB 3.65Å; V249-M274 HydrophobicContact CG2-CE 4.45Å; V249-I276 HydrophobicContact CG2-CD1 4.03Å; V249-I276 HydrophobicContact CG2-CG1 4.23Å
250Y87.5Confident83.1Confident158 Ų15850.4 Ų50.462%0.6229%0.285SS*.Hα-helixtrans-65.6-44.1178.1179.3-93.7000112.2L246 K247 H252 A253 V254L246-Y250 VanDerWaalsContact O-CB 3.23Å; L246-Y250 WeakPolarHBondContact O-CB 3.14Å; L246-Y250 PolarHBondContact O-N 2.76Å; K247-Y250 PolarHBondContact O-N 3Å; Y250-H252 VanDerWaalsContact C-N 3.35Å; Y250-H252 PolarHBondContact O-N 2.8Å; Y250-A253 PolarHBondContact O-N 3.42Å; Y250-V254 HydrophobicContact CD1-CG2 4.21Å; Y250-V254 HydrophobicContact CE1-CG2 3.72Å; Y250-V254 HydrophobicContact CE2-CG2 4.09Å; Y250-V254 WeakPolarHBondContact O-CG2 3.37Å; Y250-V254 PolarHBondContact O-N 2.6Å
251A87.3Confident84.5Confident1 Ų147 Ų471%0.00826%0.256CS..Hα-helixtrans-58.9-46.9176.800000111.1K247 E248 A253 V254 L255 L367 V370K247-A251 VanDerWaalsContact O-CB 3.28Å; K247-A251 WeakPolarHBondContact O-CB 3.24Å; K247-A251 PolarHBondContact O-N 3.07Å; E248-A251 PolarHBondContact O-N 3.3Å; A251-A253 PolarHBondContact O-N 2.85Å; A251-V254 PolarHBondContact O-N 3.17Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.22Å; A251-L255 VanDerWaalsContact O-CG 3.25Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 2.98Å; A251-L367 HydrophobicContact CB-CB 3.96Å; A251-L367 HydrophobicContact CB-CD1 3.98Å; A251-V370 HydrophobicContact CB-CB 3.78Å; A251-V370 HydrophobicContact CB-CG1 3.66Å; A251-V370 HydrophobicContact CB-CG2 4.21Å
252H85.6Confident85.9Confident5 Ų544.8 Ų44.82%0.02325%0.245CC..Hα-helixtrans-62.1-41174.8-81.2-57.7000113.2E248 V249 Y250 V254 G256 V262 Y264 L367E248-H252 PolarHBondContact O-CD2 2.94Å; E248-H252 PolarHBondContact O-N 3.12Å; V249-H252 PolarHBondContact O-N 3.36Å; Y250-H252 VanDerWaalsContact C-N 3.35Å; Y250-H252 PolarHBondContact O-N 2.8Å; H252-V254 VanDerWaalsContact C-N 3.34Å; H252-V254 PolarHBondContact O-N 3.34Å; H252-G256 PolarHBondContact O-N 2.86Å; H252-G256 VanDerWaalsContact O-N 3.14Å; H252-V262 PolarHBondContact CE1-O 3.43Å; H252-Y264 HydrophobicContact CB-CD1 3.92Å; H252-Y264 HydrophobicContact CB-CD2 3.94Å; H252-Y264 HydrophobicContact CB-CG 3.56Å; H252-Y264 AromaticContact CD2-CD2 3.98Å; H252-Y264 VanDerWaalsContact CG-CB 3.41Å; H252-Y264 AromaticContact CG-CD2 4Å; H252-Y264 AromaticContact CG-CG 3.81Å; H252-Y264 WeakPolarHBondContact ND1-CB 3.37Å; H252-L367 VanDerWaalsContact CE1-CD1 3.44Å; H252-L367 WeakPolarHBondContact CE1-CD1 3.37Å; H252-L367 WeakPolarHBondContact ND1-CD1 3.34Å
253A84.9Confident86.8Confident72 Ų7246.2 Ų46.260%0.59525%0.247SC*.Hα-helixtrans-65.3-33.7178.100000113.3V249 Y250 A251V249-A253 WeakPolarHBondContact O-CB 3.33Å; V249-A253 PolarHBondContact O-N 3.43Å; Y250-A253 PolarHBondContact O-N 3.42Å; A251-A253 PolarHBondContact O-N 2.85Å
254V88.6Confident87.7Confident48 Ų4843.4 Ų43.429%0.29123%0.232SC..Hα-helixtrans-79.1-41.6176.9173.10000112.1Y250 A251 H252 Y322 L324Y250-V254 HydrophobicContact CD1-CG2 4.21Å; Y250-V254 HydrophobicContact CE1-CG2 3.72Å; Y250-V254 HydrophobicContact CE2-CG2 4.09Å; Y250-V254 WeakPolarHBondContact O-CG2 3.37Å; Y250-V254 PolarHBondContact O-N 2.6Å; A251-V254 PolarHBondContact O-N 3.17Å; H252-V254 VanDerWaalsContact C-N 3.34Å; H252-V254 PolarHBondContact O-N 3.34Å; V254-Y322 HydrophobicContact CG1-CD1 3.91Å; V254-Y322 WeakPolarHBondContact O-CE1 3.35Å; V254-L324 HydrophobicContact CB-CD1 4.37Å; V254-L324 HydrophobicContact CG1-CD1 3.98Å
255L87.6Confident88.6Confident1 Ų146.8 Ų46.81%0.00524%0.244CC..Hα-helixtrans-74.8-31.2-174.6-71.9169000113.3A251 H257 F318 I319 Y322 L324 L367A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.22Å; A251-L255 VanDerWaalsContact O-CG 3.25Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 2.98Å; L255-H257 PolarHBondContact O-N 2.85Å; L255-F318 HydrophobicContact CB-CE1 4.2Å; L255-F318 HydrophobicContact CD2-CD1 4.25Å; L255-F318 HydrophobicContact CD2-CE1 4.15Å; L255-F318 WeakPolarHBondContact O-CE1 3.32Å; L255-F318 WeakPolarHBondContact O-CZ 3.46Å; L255-I319 HydrophobicContact CD1-CG1 4.11Å; L255-I319 HydrophobicContact CD2-CB 4.3Å; L255-I319 HydrophobicContact CD2-CG1 4.07Å; L255-I319 HydrophobicContact CD2-CG2 4.47Å; L255-Y322 HydrophobicContact CD2-CD2 4.02Å; L255-Y322 HydrophobicContact CD2-CG 4.2Å; L255-L324 HydrophobicContact CD1-CD1 4.42Å; L255-L324 HydrophobicContact CD2-CD1 3.97Å; L255-L324 HydrophobicContact CG-CD1 3.95Å; L255-L367 HydrophobicContact CD1-CD1 3.76Å
256G85Confident89.5Confident46 Ų4647 Ų4747%0.47425%0.245SC..  trans65-132.6-176.300000112.4H252H252-G256 PolarHBondContact O-N 2.86Å; H252-G256 VanDerWaalsContact O-N 3.14Å
257H89.4Confident90Very high103 Ų10343.8 Ų43.848%0.47723%0.231SC..  trans-115.6131.6-176.2179.157.4000113.2L255L255-H257 PolarHBondContact O-N 2.85Å
258H92.9Very high90.4Very high32 Ų3243.4 Ų43.415%0.14823%0.229CC..  trans-142.8143.4170.6-179-103.3000110H260 V261 M314 F318H258-H260 AromaticContact CE1-CD2 3.84Å; H258-H260 PolarHBondContact ND1-N 3.44Å; H258-H260 PolarHBondContact O-N 2.86Å; H258-H260 VanDerWaalsContact O-N 3.1Å; H258-V261 HydrophobicContact CB-CB 4.32Å; H258-V261 HydrophobicContact CB-CG2 4.21Å; H258-V261 PolarHBondContact O-N 3.26Å; H258-V261 VanDerWaalsContact O-N 3.14Å; H258-M314 PolarHBondContact CE1-O 2.96Å; H258-M314 VanDerWaalsContact CE1-O 3.24Å; H258-F318 HydrophobicContact CB-CB 4.5Å; H258-F318 HydrophobicContact CB-CD1 3.52Å; H258-F318 HydrophobicContact CB-CD2 4.07Å; H258-F318 HydrophobicContact CB-CE1 3.55Å; H258-F318 HydrophobicContact CB-CE2 4.09Å; H258-F318 HydrophobicContact CB-CG 3.78Å; H258-F318 HydrophobicContact CB-CZ 3.84Å; H258-F318 AromaticContact CD2-CD2 3.56Å; H258-F318 AromaticContact CD2-CG 3.65Å; H258-F318 AromaticContact CG-CD1 3.83Å; H258-F318 AromaticContact CG-CD2 3.91Å; H258-F318 AromaticContact CG-CG 3.6Å
259P93.7Very high90.5Very high67 Ų6746.4 Ų46.444%0.43526%0.256SS..THydrogen-bonded Turntrans-59-26.3-176.1-28.436.8000115.6K363P259-K363 WeakPolarHBondContact O-CE 3.31Å; P259-K363 WeakPolarHBondContact O-CG 3.41Å
260H96.6Very high90.6Very high9 Ų946 Ų464%0.04225%0.252CS..THydrogen-bonded Turntrans-108.521-178.9-56.1-65.7000113.7H258 Q311 Y362 I364H258-H260 AromaticContact CE1-CD2 3.84Å; H258-H260 PolarHBondContact ND1-N 3.44Å; H258-H260 PolarHBondContact O-N 2.86Å; H258-H260 VanDerWaalsContact O-N 3.1Å; H260-Q311 VanDerWaalsContact CB-O 3.31Å; H260-Q311 WeakPolarHBondContact CB-O 3.43Å; H260-Q311 PolarHBondContact CE1-OE1 3.03Å; H260-Q311 VanDerWaalsContact CG-O 3.26Å; H260-Q311 PolarHBondContact ND1-OE1 3.44Å; H260-Y362 PolarHBondContact ND1-O 2.98Å; H260-I364 PolarHBondContact O-N 3.21Å
261V96.1Very high90.4Very high5 Ų543.5 Ų43.53%0.0325%0.249CC..BIsolated β-bridgetrans-128.9135169.3-179.10000107.5H258 R263 F318 I319 I364H258-V261 HydrophobicContact CB-CB 4.32Å; H258-V261 HydrophobicContact CB-CG2 4.21Å; H258-V261 PolarHBondContact O-N 3.26Å; H258-V261 VanDerWaalsContact O-N 3.14Å; V261-R263 PolarHBondContact O-N 3Å; V261-R263 VanDerWaalsContact O-N 3.15Å; V261-F318 HydrophobicContact CG2-CD1 4.27Å; V261-I319 HydrophobicContact CG2-CD1 4.18Å; V261-I319 HydrophobicContact CG2-CG1 4.18Å; V261-I364 CarbonylContact C-O 3.58Å; V261-I364 WeakPolarHBondContact CA-O 3.38Å
262V95.8Very high90.2Very high9 Ų948.8 Ų48.86%0.05528%0.277CS..PPolyproline II helixtrans-59.7118179.7172.40000109.1H252 Y264 N278 E279 F335 K363 I364H252-V262 PolarHBondContact CE1-O 3.43Å; V262-Y264 PolarHBondContact O-N 2.92Å; V262-N278 HydrophobicContact CG1-CB 3.89Å; V262-E279 WeakPolarHBondContact CA-OE1 3.46Å; V262-E279 HydrophobicContact CG1-CG 3.94Å; V262-F335 HydrophobicContact CG2-CB 4.27Å; V262-F335 HydrophobicContact CG2-CD2 3.75Å; V262-F335 HydrophobicContact CG2-CG 4.29Å; V262-K363 HydrophobicContact CG2-CB 3.81Å; V262-I364 WeakPolarHBondContact CG2-O 3.42Å; V262-I364 PolarHBondContact N-O 2.96Å
263R93.2Very high90.2Very high100 Ų10050.3 Ų50.338%0.37728%0.284SS..PPolyproline II helixtrans-68.2125.6-178-179175.4177.4169.80.3110.9V261 Y265 N278 E279V261-R263 PolarHBondContact O-N 3Å; V261-R263 VanDerWaalsContact O-N 3.15Å; R263-Y265 HydrophobicContact CB-CE2 4.33Å; R263-Y265 HydrophobicContact CG-CD2 4.37Å; R263-Y265 HydrophobicContact CG-CE2 3.89Å; R263-N278 CarbonylContact O-C 3.58Å; R263-N278 WeakPolarHBondContact O-CA 3.29Å; R263-E279 HydrophobicContact CB-CB 4.32Å; R263-E279 HydrophobicContact CB-CG 4.04Å; R263-E279 WeakPolarHBondContact CB-OE1 3.27Å; R263-E279 PolarHBondContact N-OE1 2.68Å; R263-E279 PolarHBondContact O-N 3Å
264Y92.6Very high90.4Very high58 Ų5848.6 Ų48.623%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-86.3148.5168.1166.2-95.2000111.9H252 V262 S266 A267 I276 N278H252-Y264 HydrophobicContact CB-CD1 3.92Å; H252-Y264 HydrophobicContact CB-CD2 3.94Å; H252-Y264 HydrophobicContact CB-CG 3.56Å; H252-Y264 AromaticContact CD2-CD2 3.98Å; H252-Y264 VanDerWaalsContact CG-CB 3.41Å; H252-Y264 AromaticContact CG-CD2 4Å; H252-Y264 AromaticContact CG-CG 3.81Å; H252-Y264 WeakPolarHBondContact ND1-CB 3.37Å; V262-Y264 PolarHBondContact O-N 2.92Å; Y264-S266 WeakPolarHBondContact CE2-O 3.38Å; Y264-A267 HydrophobicContact CE2-CB 3.9Å; Y264-A267 WeakPolarHBondContact OH-CB 3.31Å; Y264-A267 PolarHBondContact OH-N 3.38Å; Y264-I276 HydrophobicContact CD2-CG2 4.02Å; Y264-I276 HydrophobicContact CE2-CG2 4.12Å; Y264-N278 WeakPolarHBondContact CA-OD1 3.4Å
265Y92.3Very high90.5Very high88 Ų8846.3 Ų46.335%0.34525%0.251SS..EExtended strand (participates in β ladder)trans-122.9-47.8176.8-70.7-94.8000112.8Y227 R263 Q277 E279Y227-Y265 AromaticContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CD2 3.94Å; Y227-Y265 HydrophobicContact CD1-CE2 4.13Å; Y227-Y265 HydrophobicContact CD1-CG 4.36Å; Y227-Y265 AromaticContact CE1-CD1 3.91Å; Y227-Y265 HydrophobicContact CE1-CD1 3.91Å; Y227-Y265 AromaticContact CE1-CD2 3.57Å; Y227-Y265 HydrophobicContact CE1-CD2 3.57Å; Y227-Y265 AromaticContact CE1-CE1 3.95Å; Y227-Y265 HydrophobicContact CE1-CE1 3.95Å; Y227-Y265 AromaticContact CE1-CE2 3.6Å; Y227-Y265 HydrophobicContact CE1-CE2 3.6Å; Y227-Y265 AromaticContact CE1-CG 3.72Å; Y227-Y265 HydrophobicContact CE1-CG 3.72Å; Y227-Y265 AromaticContact CE1-CZ 3.79Å; R263-Y265 HydrophobicContact CB-CE2 4.33Å; R263-Y265 HydrophobicContact CG-CD2 4.37Å; R263-Y265 HydrophobicContact CG-CE2 3.89Å; Y265-Q277 PolarHBondContact N-O 3.32Å; Y265-E279 HydrophobicContact CE2-CB 3.95Å
266S92.9Very high90.8Very high18 Ų1846.5 Ų46.513%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-158.3154.4-174.2-161.20000111.5R196 Y264 Q277R196-S266 PolarHBondContact NH1-OG 3.35Å; R196-S266 VanDerWaalsContact NH1-OG 3.14Å; Y264-S266 WeakPolarHBondContact CE2-O 3.38Å; S266-Q277 VanDerWaalsContact CB-OE1 3.3Å; S266-Q277 PolarHBondContact N-O 3.37Å; S266-Q277 PolarHBondContact O-N 2.87Å
267A91.8Very high91.3Very high25 Ų2544.9 Ų44.921%0.20723%0.232CC..EExtended strand (participates in β ladder)trans-138.9149.3162.800000109.4V249 Y264 L275 I276V249-A267 HydrophobicContact CG1-CB 4.41Å; V249-A267 HydrophobicContact CG2-CB 3.65Å; Y264-A267 HydrophobicContact CE2-CB 3.9Å; Y264-A267 WeakPolarHBondContact OH-CB 3.31Å; Y264-A267 PolarHBondContact OH-N 3.38Å; A267-L275 CarbonylContact C-O 3.56Å; A267-L275 WeakPolarHBondContact CA-O 3.32Å; A267-L275 WeakPolarHBondContact CB-O 3.44Å; A267-I276 HydrophobicContact CB-CG1 4.12Å
268W91.6Very high91.5Very high27 Ų2740.7 Ų40.710%0.10221%0.213CC..EExtended strand (participates in β ladder)trans-153.7166.7176.565.9101.5000110.8Y197 F201 V229 E270 L275 Q277Y197-W268 HydrophobicContact CD2-CZ2 4.37Å; F201-W268 HydrophobicContact CD2-CH2 4.34Å; F201-W268 AromaticContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CH2 3.57Å; F201-W268 HydrophobicContact CE2-CZ2 4.09Å; F201-W268 HydrophobicContact CE2-CZ3 4.44Å; F201-W268 HydrophobicContact CZ-CH2 4Å; V229-W268 HydrophobicContact CG1-CH2 4.35Å; W268-E270 PolarHBondContact NE1-OE2 2.72Å; W268-L275 HydrophobicContact CD2-CB 4.02Å; W268-L275 HydrophobicContact CE3-CB 4.36Å; W268-L275 HydrophobicContact CH2-CB 4.27Å; W268-L275 HydrophobicContact CH2-CD2 4.48Å; W268-L275 HydrophobicContact CZ2-CB 3.9Å; W268-L275 HydrophobicContact CZ2-CD2 3.61Å; W268-L275 HydrophobicContact CZ2-CG 4.41Å; W268-L275 HydrophobicContact CZ3-CB 4.49Å; W268-L275 PolarHBondContact N-O 2.75Å; W268-L275 PolarHBondContact O-N 2.64Å; W268-Q277 HydrophobicContact CH2-CB 4.47Å; W268-Q277 HydrophobicContact CZ3-CB 3.96Å
269A88.4Confident91.6Very high73 Ų7340.5 Ų40.560%0.60321%0.212SC*.EExtended strand (participates in β ladder)trans-107.8135.2170.500000109.9H273 M274A269-H273 VanDerWaalsContact CA-O 3.28Å; A269-H273 WeakPolarHBondContact CA-O 3.46Å; A269-M274 HydrophobicContact CB-SD 3.86Å
270E88.3Confident91.7Very high20 Ų2039.5 Ų39.59%0.09320%0.2CC..EExtended strand (participates in β ladder)trans-149.1142.716954.2172.4-119.500110.1S195 R196 Y197 W268 D272 H273 L275S195-E270 WeakPolarHBondContact CB-OE1 3.27Å; S195-E270 VanDerWaalsContact OG-CD 3.25Å; S195-E270 PolarHBondContact OG-OE1 3.45Å; S195-E270 PolarHBondContact OG-OE2 3.12Å; R196-E270 WeakPolarHBondContact CB-OE2 3.4Å; R196-E270 PolarHBondContact N-OE2 2.88Å; Y197-E270 VanDerWaalsContact CB-OE1 3.23Å; Y197-E270 WeakPolarHBondContact CB-OE1 3.19Å; Y197-E270 PolarHBondContact N-OE2 2.74Å; W268-E270 PolarHBondContact NE1-OE2 2.72Å; E270-D272 PolarHBondContact O-N 3.34Å; E270-H273 PolarHBondContact N-O 2.89Å; E270-H273 WeakPolarHBondContact O-CA 3.37Å; E270-H273 WeakPolarHBondContact O-CB 2.95Å; E270-H273 PolarHBondContact O-N 2.9Å; E270-L275 HydrophobicContact CG-CD1 3.55Å; E270-L275 HydrophobicContact CG-CD2 4.1Å; E270-L275 HydrophobicContact CG-CG 4.46Å
271D84.9Confident91.6Very high107 Ų10739.7 Ų39.757%0.57220%0.202SC*.THydrogen-bonded Turntrans4842.8-177-51.5-32.2000113.8R231 H273R231-D271 IonicContact NH2-OD2 3.77Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.74Å; D271-H273 VanDerWaalsContact O-N 3.09Å; D271-H273 PolarHBondContact O-ND1 3.31Å
272D82.5Confident91.5Very high111 Ų11143.4 Ų43.459%0.59422%0.222SC*.THydrogen-bonded Turntrans61.41.9-172-54.1-39.3000116.8P235 L236 E270P235-D272 WeakPolarHBondContact CA-O 3.31Å; P235-D272 HydrophobicContact CB-CB 3.65Å; P235-D272 HydrophobicContact CG-CB 4.01Å; L236-D272 PolarHBondContact N-O 2.74Å; L236-D272 VanDerWaalsContact N-O 3.12Å; E270-D272 PolarHBondContact O-N 3.34Å
273H85.6Confident91.3Very high37 Ų3744.2 Ų44.217%0.17123%0.231CC..EExtended strand (participates in β ladder)trans-92.9142.3176.4-58.888.6000111.1R231 S232 A269 E270 D271 L275R231-H273 HydrophobicContact CG-CB 4.13Å; R231-H273 PolarHBondContact NH2-ND1 2.89Å; S232-H273 PolarHBondContact O-CD2 3.08Å; S232-H273 VanDerWaalsContact OG-CA 3.3Å; S232-H273 WeakPolarHBondContact OG-CA 3.38Å; A269-H273 VanDerWaalsContact CA-O 3.28Å; A269-H273 WeakPolarHBondContact CA-O 3.46Å; E270-H273 PolarHBondContact N-O 2.89Å; E270-H273 WeakPolarHBondContact O-CA 3.37Å; E270-H273 WeakPolarHBondContact O-CB 2.95Å; E270-H273 PolarHBondContact O-N 2.9Å; D271-H273 PolarHBondContact O-CE1 2.88Å; D271-H273 PolarHBondContact O-N 2.74Å; D271-H273 VanDerWaalsContact O-N 3.09Å; D271-H273 PolarHBondContact O-ND1 3.31Å; H273-L275 HydrophobicContact CB-CD1 3.97Å
274M87.9Confident91.4Very high37 Ų3740.6 Ų40.618%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-87.8133.9165.4-73.2-67.8-6600109.3S232 L236 A245 V249 A269S232-M274 PolarHBondContact N-O 3.41Å; S232-M274 PolarHBondContact OG-N 2.95Å; L236-M274 HydrophobicContact CD1-CB 3.5Å; L236-M274 HydrophobicContact CD1-CG 3.38Å; A245-M274 HydrophobicContact CB-CB 4.43Å; A245-M274 HydrophobicContact CB-CG 4.3Å; V249-M274 HydrophobicContact CG2-CE 4.45Å; A269-M274 HydrophobicContact CB-SD 3.86Å
275L92.4Very high91.6Very high0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-117133174.6-72.973.8000109Y197 V229 K230 R231 A267 W268 E270 H273Y197-L275 HydrophobicContact CD2-CD2 3.82Å; Y197-L275 HydrophobicContact CG-CD2 3.84Å; V229-L275 HydrophobicContact CG1-CB 4.39Å; V229-L275 HydrophobicContact CG1-CD2 4.35Å; K230-L275 CarbonylContact O-C 3.59Å; K230-L275 VanDerWaalsContact O-CA 3.29Å; K230-L275 WeakPolarHBondContact O-CA 3.39Å; R231-L275 HydrophobicContact CB-CG 4.15Å; R231-L275 HydrophobicContact CG-CD1 4.03Å; R231-L275 HydrophobicContact CG-CG 4.07Å; A267-L275 CarbonylContact C-O 3.56Å; A267-L275 WeakPolarHBondContact CA-O 3.32Å; A267-L275 WeakPolarHBondContact CB-O 3.44Å; W268-L275 HydrophobicContact CD2-CB 4.02Å; W268-L275 HydrophobicContact CE3-CB 4.36Å; W268-L275 HydrophobicContact CH2-CB 4.27Å; W268-L275 HydrophobicContact CH2-CD2 4.48Å; W268-L275 HydrophobicContact CZ2-CB 3.9Å; W268-L275 HydrophobicContact CZ2-CD2 3.61Å; W268-L275 HydrophobicContact CZ2-CG 4.41Å; W268-L275 HydrophobicContact CZ3-CB 4.49Å; W268-L275 PolarHBondContact N-O 2.75Å; W268-L275 PolarHBondContact O-N 2.64Å; E270-L275 HydrophobicContact CG-CD1 3.55Å; E270-L275 HydrophobicContact CG-CD2 4.1Å; E270-L275 HydrophobicContact CG-CG 4.46Å; H273-L275 HydrophobicContact CB-CD1 3.97Å
276I92.5Very high91.8Very high5 Ų534.1 Ų34.13%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-124.8120.6178.4-58.1176.8000108.2V229 K230 E248 V249 Y264 A267V229-I276 CarbonylContact C-O 3.58Å; V229-I276 WeakPolarHBondContact CA-O 3.08Å; K230-I276 HydrophobicContact CB-CB 4.39Å; K230-I276 PolarHBondContact N-O 3.2Å; K230-I276 PolarHBondContact O-N 3.38Å; E248-I276 HydrophobicContact CB-CD1 4.2Å; E248-I276 HydrophobicContact CG-CD1 3.92Å; E248-I276 WeakPolarHBondContact OE2-CD1 3.39Å; V249-I276 HydrophobicContact CG2-CD1 4.03Å; V249-I276 HydrophobicContact CG2-CG1 4.23Å; Y264-I276 HydrophobicContact CD2-CG2 4.02Å; Y264-I276 HydrophobicContact CE2-CG2 4.12Å; A267-I276 HydrophobicContact CB-CG1 4.12Å
277Q95.3Very high92Very high11 Ų1135.5 Ų35.55%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-99.6111.2178.7178.7-163.84.800110F201 Y227 V229 Y265 S266 W268F201-Q277 HydrophobicContact CE1-CG 4.23Å; F201-Q277 HydrophobicContact CZ-CG 4.17Å; Y227-Q277 HydrophobicContact CD1-CG 3.63Å; Y227-Q277 HydrophobicContact CE1-CG 4.33Å; Y227-Q277 HydrophobicContact CG-CG 3.93Å; V229-Q277 HydrophobicContact CG2-CB 4.49Å; V229-Q277 HydrophobicContact CG2-CG 4.45Å; Y265-Q277 PolarHBondContact N-O 3.32Å; S266-Q277 VanDerWaalsContact CB-OE1 3.3Å; S266-Q277 PolarHBondContact N-O 3.37Å; S266-Q277 PolarHBondContact O-N 2.87Å; W268-Q277 HydrophobicContact CH2-CB 4.47Å; W268-Q277 HydrophobicContact CZ3-CB 3.96Å
278N94.9Very high92.2Very high15 Ų1538.5 Ų38.58%0.0822%0.224CC..EExtended strand (participates in β ladder)trans-115.2165.1176.2-72.5-13.3000110.8Y227 A228 V262 R263 Y264Y227-N278 WeakPolarHBondContact CA-O 3.46Å; Y227-N278 WeakPolarHBondContact CD1-O 3.21Å; A228-N278 PolarHBondContact N-O 2.9Å; A228-N278 PolarHBondContact O-N 3.41Å; V262-N278 HydrophobicContact CG1-CB 3.89Å; R263-N278 CarbonylContact O-C 3.58Å; R263-N278 WeakPolarHBondContact O-CA 3.29Å; Y264-N278 WeakPolarHBondContact CA-OD1 3.4Å
279E94.2Very high92.4Very high28 Ų2838.5 Ų38.513%0.13123%0.23CC..EExtended strand (participates in β ladder)trans-57.4144.4169.564-176.3148.300111.3V262 R263 Y265 K363V262-E279 WeakPolarHBondContact CA-OE1 3.46Å; V262-E279 HydrophobicContact CG1-CG 3.94Å; R263-E279 HydrophobicContact CB-CB 4.32Å; R263-E279 HydrophobicContact CB-CG 4.04Å; R263-E279 WeakPolarHBondContact CB-OE1 3.27Å; R263-E279 PolarHBondContact N-OE1 2.68Å; R263-E279 PolarHBondContact O-N 3Å; Y265-E279 HydrophobicContact CE2-CB 3.95Å; E279-K363 WeakPolarHBondContact OE1-CD 3.46Å; E279-K363 IonicContact OE1-NZ 2.85Å; E279-K363 PolarHBondContact OE1-NZ 3.01Å; E279-K363 IonicContact OE2-NZ 2.85Å; E279-K363 PolarHBondContact OE2-NZ 3.06Å
280Y95.9Very high92.7Very high47 Ų4736.7 Ų36.718%0.18421%0.209CC..  trans-84.5121.2171.6179.9-109.1000110.4V207 K217 L226 D282V207-Y280 HydrophobicContact CG2-CE2 4.21Å; K217-Y280 HydrophobicContact CB-CD2 4.27Å; K217-Y280 HydrophobicContact CB-CE2 3.96Å; K217-Y280 HydrophobicContact CD-CD2 4.49Å; K217-Y280 HydrophobicContact CD-CE1 4.12Å; K217-Y280 HydrophobicContact CD-CE2 3.81Å; K217-Y280 VanDerWaalsContact CE-CZ 3.46Å; K217-Y280 WeakPolarHBondContact CE-OH 3.21Å; K217-Y280 HydrophobicContact CG-CD2 3.95Å; K217-Y280 HydrophobicContact CG-CE1 4.38Å; K217-Y280 HydrophobicContact CG-CE2 3.71Å; K217-Y280 HydrophobicContact CG-CG 4.4Å; K217-Y280 PolarHBondContact NZ-OH 3.1Å; L226-Y280 HydrophobicContact CB-CD1 3.95Å; L226-Y280 HydrophobicContact CB-CG 4.19Å; L226-Y280 HydrophobicContact CD1-CD1 4.03Å; L226-Y280 HydrophobicContact CD1-CE1 4.29Å; Y280-D282 HydrophobicContact CD1-CB 4.39Å; Y280-D282 HydrophobicContact CE1-CB 4Å
281C95.4Very high93Very high12 Ų1241.7 Ų41.78%0.08123%0.234CC..  trans-93.2109.1173.1-61.70000108.9G283 G284 F335 I336C281-G283 PolarHBondContact O-N 3.31Å; C281-G284 PolarHBondContact O-N 2.84Å; C281-F335 HydrophobicContact CB-CB 3.64Å; C281-F335 HydrophobicContact CB-CD1 4.47Å; C281-F335 HydrophobicContact CB-CG 4.4Å; C281-F335 VanDerWaalsContact SG-CB 3.53Å; C281-I336 CarbonylContact C-O 3.52Å; C281-I336 WeakPolarHBondContact CB-O 3.47Å
282D93.1Very high93.5Very high84 Ų8443.3 Ų43.345%0.44924%0.236SC..THydrogen-bonded Turntrans-72.8-23.5-170.963.6-24.6000114.6Y280 G284 C337 Q338Y280-D282 HydrophobicContact CD1-CB 4.39Å; Y280-D282 HydrophobicContact CE1-CB 4Å; D282-G284 VanDerWaalsContact C-N 3.29Å; D282-G284 PolarHBondContact O-N 2.92Å; D282-C337 VanDerWaalsContact OD1-CA 3.29Å; D282-C337 WeakPolarHBondContact OD1-CA 3.27Å; D282-Q338 PolarHBondContact OD1-N 3.46Å
283G92.1Very high94Very high25 Ų2539.9 Ų39.926%0.25822%0.216SC..THydrogen-bonded Turntrans-81.72.9174.900000115.2C281 I336C281-G283 PolarHBondContact O-N 3.31Å; G283-I336 VanDerWaalsContact CA-O 3.31Å; G283-I336 WeakPolarHBondContact CA-O 3.35Å; G283-I336 PolarHBondContact N-O 3.2Å
284G94.5Very high94.2Very high24 Ų2442 Ų4225%0.24724%0.235CC..  trans71.9-154.2-177.900000113.3C281 D282 F335 I336C281-G284 PolarHBondContact O-N 2.84Å; D282-G284 VanDerWaalsContact C-N 3.29Å; D282-G284 PolarHBondContact O-N 2.92Å; G284-F335 WeakPolarHBondContact O-CA 3.31Å; G284-I336 PolarHBondContact O-N 2.9Å
285S96.8Very high94.5Very high9 Ų946.2 Ų46.26%0.06326%0.263CS..BIsolated β-bridgetrans-91.2159.4173770000112.2S287 D288 A289 I334S285-S287 PolarHBondContact O-N 2.67Å; S285-S287 WeakPolarHBondContact OG-CB 3.33Å; S285-S287 PolarHBondContact OG-N 3.27Å; S285-D288 WeakPolarHBondContact CA-OD2 3.45Å; S285-D288 VanDerWaalsContact CB-OD2 3.29Å; S285-D288 WeakPolarHBondContact CB-OD2 3.44Å; S285-D288 PolarHBondContact N-OD2 2.83Å; S285-D288 WeakPolarHBondContact O-CB 3.47Å; S285-D288 PolarHBondContact O-N 2.72Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S285-D288 PolarHBondContact OG-N 2.9Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.12Å; S285-I334 CarbonylContact C-O 3.57Å; S285-I334 WeakPolarHBondContact CA-O 3.33Å
286L97.7Very high94.5Very high1 Ų151.4 Ų51.41%0.00529%0.287CS..Hα-helixtrans-60.1-30.9170.5175.367000111.2D288 A289 I290 L300 L308 P331 I334 Y362 T409L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 2.84Å; L286-A289 PolarHBondContact O-N 3.08Å; L286-I290 HydrophobicContact CD1-CD1 4.13Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.8Å; L286-I290 HydrophobicContact CG-CG1 4.27Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.1Å; L286-L300 HydrophobicContact CD1-CD1 4.24Å; L286-L308 HydrophobicContact CD1-CD1 4.39Å; L286-L308 HydrophobicContact CD1-CD2 4.09Å; L286-L308 HydrophobicContact CD2-CD1 3.81Å; L286-L308 HydrophobicContact CD2-CD2 3.78Å; L286-L308 HydrophobicContact CD2-CG 4.44Å; L286-P331 HydrophobicContact CB-CB 4.37Å; L286-P331 WeakPolarHBondContact CB-O 3.25Å; L286-P331 HydrophobicContact CD2-CB 4.32Å; L286-P331 HydrophobicContact CG-CB 4.22Å; L286-P331 PolarHBondContact N-O 3.37Å; L286-I334 HydrophobicContact CB-CB 4.09Å; L286-I334 HydrophobicContact CB-CG2 4.16Å; L286-I334 HydrophobicContact CD2-CB 4.34Å; L286-I334 HydrophobicContact CD2-CD1 4.09Å; L286-I334 HydrophobicContact CD2-CG2 4.34Å; L286-I334 PolarHBondContact N-O 3.47Å; L286-Y362 HydrophobicContact CD1-CE1 4.27Å; L286-T409 HydrophobicContact CD2-CG2 3.9Å
287S96.8Very high94.4Very high47 Ų4754.7 Ų54.733%0.32932%0.322SS..Hα-helixtrans-59.9-42172.8-1660000112S285 M291 P331S285-S287 PolarHBondContact O-N 2.67Å; S285-S287 WeakPolarHBondContact OG-CB 3.33Å; S285-S287 PolarHBondContact OG-N 3.27Å; S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 PolarHBondContact O-N 2.99Å; S287-P331 PolarHBondContact N-O 3.07Å
288D95.3Very high94.3Very high89 Ų8958.9 Ų58.948%0.47634%0.341SS..Hα-helixtrans-68.6-40.8178.7-51.2-50.9000110.7S285 L286 M291 K292S285-D288 WeakPolarHBondContact CA-OD2 3.45Å; S285-D288 VanDerWaalsContact CB-OD2 3.29Å; S285-D288 WeakPolarHBondContact CB-OD2 3.44Å; S285-D288 PolarHBondContact N-OD2 2.83Å; S285-D288 WeakPolarHBondContact O-CB 3.47Å; S285-D288 PolarHBondContact O-N 2.72Å; S285-D288 VanDerWaalsContact O-N 3.07Å; S285-D288 PolarHBondContact OG-N 2.9Å; S285-D288 PolarHBondContact OG-OD2 3.3Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 2.84Å; D288-M291 PolarHBondContact O-N 2.98Å; D288-K292 VanDerWaalsContact O-CB 3.24Å; D288-K292 WeakPolarHBondContact O-CB 3.46Å; D288-K292 PolarHBondContact O-N 3.34Å
289A95.2Very high94.2Very high27 Ų2761 Ų6122%0.22335%0.352CS..Hα-helixtrans-64.6-42.6176.600000113S285 L286 K292 K293 I336S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.12Å; L286-A289 PolarHBondContact O-N 3.08Å; A289-K292 PolarHBondContact O-N 2.84Å; A289-K293 PolarHBondContact O-N 3.47Å; A289-I336 HydrophobicContact CB-CD1 3.59Å
290I95.7Very high94.2Very high35 Ų3560.1 Ų60.118%0.17935%0.348CS..Hα-helixtrans-63.5-47.3175-67.8166000110.2L286 K292 K293 S294 L300 P331 A413L286-I290 HydrophobicContact CD1-CD1 4.13Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.8Å; L286-I290 HydrophobicContact CG-CG1 4.27Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.1Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 2.79Å; I290-K293 PolarHBondContact O-N 2.88Å; I290-S294 VanDerWaalsContact O-CB 3.24Å; I290-S294 WeakPolarHBondContact O-CB 3.4Å; I290-S294 PolarHBondContact O-N 3.21Å; I290-L300 HydrophobicContact CG1-CD1 4.1Å; I290-P331 HydrophobicContact CD1-CB 4.12Å; I290-P331 HydrophobicContact CD1-CG 4.22Å; I290-A413 HydrophobicContact CD1-CB 3.87Å; I290-A413 HydrophobicContact CG1-CB 4.31Å
291M95Very high94.1Very high125 Ų12563.2 Ų63.262%0.61637%0.368SS*.Hα-helixtrans-60.2-43.8177.7-176.9178.5-69.400111.4S287 D288 S294 V295S287-M291 WeakPolarHBondContact O-CB 3.34Å; S287-M291 PolarHBondContact O-N 2.99Å; D288-M291 PolarHBondContact O-N 2.98Å; M291-S294 PolarHBondContact O-N 3.25Å; M291-V295 WeakPolarHBondContact O-CG2 3.29Å; M291-V295 PolarHBondContact O-N 2.95Å
292K94.2Very high94Very high140 Ų14064.7 Ų64.761%0.60937%0.373SS*.Hα-helixtrans-60.1-52.1178.2-178.2179.3175.1-176.30111.8D288 A289 I290 S294 V295 Q296D288-K292 VanDerWaalsContact O-CB 3.24Å; D288-K292 WeakPolarHBondContact O-CB 3.46Å; D288-K292 PolarHBondContact O-N 3.34Å; A289-K292 PolarHBondContact O-N 2.84Å; I290-K292 VanDerWaalsContact C-N 3.33Å; I290-K292 PolarHBondContact O-N 2.79Å; K292-S294 VanDerWaalsContact C-N 3.34Å; K292-S294 PolarHBondContact O-N 2.86Å; K292-V295 PolarHBondContact O-N 2.8Å; K292-Q296 WeakPolarHBondContact O-CG 3.43Å; K292-Q296 PolarHBondContact O-N 2.77Å; K292-Q296 VanDerWaalsContact O-N 3.15Å; K292-Q296 PolarHBondContact O-OE1 2.82Å
293K92.5Very high93.9Very high39 Ų3962.7 Ų62.717%0.1737%0.368CS..Hα-helixtrans-59.8-44.3176.2-74.4-148.7-174.4-164.80111.4A289 I290 V295 Q296 G297 E298 L299 L300 E304A289-K293 PolarHBondContact O-N 3.47Å; I290-K293 PolarHBondContact O-N 2.88Å; K293-V295 PolarHBondContact O-N 3.03Å; K293-Q296 CarbonylContact O-C 3.59Å; K293-Q296 WeakPolarHBondContact O-CA 3.27Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 2.85Å; K293-G297 PolarHBondContact O-N 3.01Å; K293-G297 VanDerWaalsContact O-N 3.11Å; K293-E298 CarbonylContact C-O 3.59Å; K293-E298 VanDerWaalsContact C-O 3.23Å; K293-E298 HydrophobicContact CB-CB 4.09Å; K293-E298 HydrophobicContact CD-CB 4.24Å; K293-E298 HydrophobicContact CG-CB 4.39Å; K293-E298 PolarHBondContact O-N 3.45Å; K293-E298 VanDerWaalsContact O-O 3.13Å; K293-L299 WeakPolarHBondContact CD-O 3.4Å; K293-L299 PolarHBondContact NZ-O 3.46Å; K293-L300 HydrophobicContact CD-CD2 4.34Å; K293-L300 HydrophobicContact CD-CG 4.25Å; K293-E304 IonicContact NZ-OE1 2.82Å; K293-E304 PolarHBondContact NZ-OE1 3.04Å; K293-E304 IonicContact NZ-OE2 2.72Å; K293-E304 PolarHBondContact NZ-OE2 3.5Å
294S91.4Very high94Very high83 Ų8364.6 Ų64.658%0.5837%0.37SS*.Hα-helixtrans-57.9-43.5178.4-175.20000113.1I290 M291 K292 Q296 G297I290-S294 VanDerWaalsContact O-CB 3.24Å; I290-S294 WeakPolarHBondContact O-CB 3.4Å; I290-S294 PolarHBondContact O-N 3.21Å; M291-S294 PolarHBondContact O-N 3.25Å; K292-S294 VanDerWaalsContact C-N 3.34Å; K292-S294 PolarHBondContact O-N 2.86Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.41Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.1Å
295V93.1Very high94.1Very high125 Ų12563.4 Ų63.476%0.75836%0.359SS*.Hα-helixtrans-65.7-29.8174.7169.90000112.3M291 K292 K293 G297M291-V295 WeakPolarHBondContact O-CG2 3.29Å; M291-V295 PolarHBondContact O-N 2.95Å; K292-V295 PolarHBondContact O-N 2.8Å; K293-V295 PolarHBondContact O-N 3.03Å; V295-G297 VanDerWaalsContact C-N 3.28Å
296Q93.2Very high94Very high109 Ų10964.1 Ų64.151%0.50936%0.361SS..THydrogen-bonded Turntrans-80.5-4.8174.6-64.5176-80.600113.3K292 K293 S294 E298K292-Q296 WeakPolarHBondContact O-CG 3.43Å; K292-Q296 PolarHBondContact O-N 2.77Å; K292-Q296 VanDerWaalsContact O-N 3.15Å; K292-Q296 PolarHBondContact O-OE1 2.82Å; K293-Q296 CarbonylContact O-C 3.59Å; K293-Q296 WeakPolarHBondContact O-CA 3.27Å; K293-Q296 WeakPolarHBondContact O-CB 3.49Å; K293-Q296 PolarHBondContact O-N 2.85Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.41Å; Q296-E298 HydrophobicContact CB-CG 4.25Å
297G90.6Very high93.8Very high73 Ų7366.6 Ų66.675%0.75337%0.374SS*.THydrogen-bonded Turntrans74.713.2-172.500000113.9K293 S294 V295K293-G297 PolarHBondContact O-N 3.01Å; K293-G297 VanDerWaalsContact O-N 3.11Å; S294-G297 PolarHBondContact O-N 3.24Å; S294-G297 VanDerWaalsContact O-N 3.1Å; V295-G297 VanDerWaalsContact C-N 3.28Å
298E93.2Very high93.8Very high100 Ų10064.4 Ų64.447%0.46736%0.358SS..  trans-101.1164.1-179.7-66.1-177.4-165.600112K293 Q296K293-E298 CarbonylContact C-O 3.59Å; K293-E298 VanDerWaalsContact C-O 3.23Å; K293-E298 HydrophobicContact CB-CB 4.09Å; K293-E298 HydrophobicContact CD-CB 4.24Å; K293-E298 HydrophobicContact CG-CB 4.39Å; K293-E298 PolarHBondContact O-N 3.45Å; K293-E298 VanDerWaalsContact O-O 3.13Å; Q296-E298 HydrophobicContact CB-CG 4.25Å
299L92.5Very high93.9Very high59 Ų5960.1 Ų60.131%0.30934%0.336SS..  trans-131.2163.5175.4-65173.8000110.7K293 P438 Q439K293-L299 WeakPolarHBondContact CD-O 3.4Å; K293-L299 PolarHBondContact NZ-O 3.46Å; L299-P438 HydrophobicContact CD1-CB 4.26Å; L299-P438 HydrophobicContact CD1-CG 3.7Å; L299-P438 HydrophobicContact CD2-CG 4.44Å; L299-Q439 HydrophobicContact CD1-CB 4.01Å; L299-Q439 HydrophobicContact CD1-CG 4.2Å
300L93.5Very high94Very high10 Ų1059.5 Ų59.55%0.05233%0.328CS..  trans-75.6122.1165.7-71.8158.4000108.5L286 I290 K293 E304 L305 A413 Q439L286-L300 HydrophobicContact CD1-CD1 4.24Å; I290-L300 HydrophobicContact CG1-CD1 4.1Å; K293-L300 HydrophobicContact CD-CD2 4.34Å; K293-L300 HydrophobicContact CD-CG 4.25Å; L300-E304 WeakPolarHBondContact CA-OE2 3.46Å; L300-E304 HydrophobicContact CB-CB 4.34Å; L300-E304 HydrophobicContact CD2-CB 3.87Å; L300-E304 HydrophobicContact CD2-CG 4.39Å; L300-L305 HydrophobicContact CB-CD2 3.73Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4.45Å; L300-L305 WeakPolarHBondContact O-CD1 3.31Å; L300-A413 HydrophobicContact CD1-CB 3.77Å; L300-Q439 PolarHBondContact O-NE2 3.34Å; L300-Q439 PolarHBondContact O-OE1 2.96Å
301L94Very high94Very high112 Ų11258 Ų5859%0.58632%0.321SS*.  trans-69.2157.2178.5-61.5176.3000110.6A303 E304 L305L301-A303 PolarHBondContact O-N 3.3Å; L301-E304 PolarHBondContact N-OE2 3.25Å; L301-E304 WeakPolarHBondContact O-CA 3.43Å; L301-E304 WeakPolarHBondContact O-CB 3.22Å; L301-E304 PolarHBondContact O-N 3.22Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.38Å
302E94.1Very high94.2Very high43 Ų4352 Ų5220%0.20129%0.291CS..Hα-helixtrans-49.6-35.1177.3-174.3176.514500113.4L305 K306 L441 S442 F445E302-L305 PolarHBondContact O-N 2.94Å; E302-K306 HydrophobicContact CG-CD 4.1Å; E302-K306 HydrophobicContact CG-CG 4.26Å; E302-K306 WeakPolarHBondContact O-CB 3.34Å; E302-K306 VanDerWaalsContact O-CG 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 2.82Å; E302-K306 PolarHBondContact OE1-NZ 3.13Å; E302-L441 HydrophobicContact CB-CD2 3.89Å; E302-L441 HydrophobicContact CG-CD2 4.3Å; E302-S442 WeakPolarHBondContact OE1-CB 3.21Å; E302-S442 PolarHBondContact OE1-OG 3.42Å; E302-S442 WeakPolarHBondContact OE2-CB 3.44Å; E302-S442 PolarHBondContact OE2-N 2.9Å; E302-S442 PolarHBondContact OE2-OG 2.93Å; E302-F445 HydrophobicContact CG-CD1 3.79Å; E302-F445 HydrophobicContact CG-CE1 4.26Å; E302-F445 HydrophobicContact CG-CG 4.33Å
303A91.2Very high94.4Very high42 Ų4245.4 Ų45.435%0.34726%0.262SS..Hα-helixtrans-63.8-42.917600000113.1L301 D307L301-A303 PolarHBondContact O-N 3.3Å; A303-D307 PolarHBondContact O-N 2.99Å; A303-D307 VanDerWaalsContact O-N 3.17Å
304E93.4Very high94.6Very high64 Ų6447 Ų4730%0.29927%0.271SS..Hα-helixtrans-70.7-38176.8-60.4172.5106.800110.6K293 L300 L301 D307 L308K293-E304 IonicContact NZ-OE1 2.82Å; K293-E304 PolarHBondContact NZ-OE1 3.04Å; K293-E304 IonicContact NZ-OE2 2.72Å; K293-E304 PolarHBondContact NZ-OE2 3.5Å; L300-E304 WeakPolarHBondContact CA-OE2 3.46Å; L300-E304 HydrophobicContact CB-CB 4.34Å; L300-E304 HydrophobicContact CD2-CB 3.87Å; L300-E304 HydrophobicContact CD2-CG 4.39Å; L301-E304 PolarHBondContact N-OE2 3.25Å; L301-E304 WeakPolarHBondContact O-CA 3.43Å; L301-E304 WeakPolarHBondContact O-CB 3.22Å; L301-E304 PolarHBondContact O-N 3.22Å; E304-D307 PolarHBondContact O-N 2.87Å; E304-L308 VanDerWaalsContact O-CB 3.27Å; E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 2.96Å
305L96.3Very high94.9Very high0 Ų043 Ų430%024%0.243CC..Hα-helixtrans-66.4-41.7176.6-63.5172.2000112.6L300 L301 E302 L309 V410 A413 A414 L441 F445L300-L305 HydrophobicContact CB-CD2 3.73Å; L300-L305 HydrophobicContact CB-CG 4.08Å; L300-L305 HydrophobicContact CD1-CD2 4.45Å; L300-L305 WeakPolarHBondContact O-CD1 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 3.38Å; E302-L305 PolarHBondContact O-N 2.94Å; L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 PolarHBondContact O-N 3.02Å; L305-V410 HydrophobicContact CB-CG1 4.3Å; L305-V410 HydrophobicContact CD2-CG1 4.29Å; L305-A413 HydrophobicContact CD2-CB 3.57Å; L305-A414 HydrophobicContact CD1-CB 3.62Å; L305-A414 HydrophobicContact CD2-CB 4.27Å; L305-L441 HydrophobicContact CD1-CD1 4.3Å; L305-L441 HydrophobicContact CD1-CD2 3.92Å; L305-F445 HydrophobicContact CB-CE1 3.79Å; L305-F445 HydrophobicContact CB-CZ 3.86Å; L305-F445 HydrophobicContact CD1-CE1 4.23Å
306K95.6Very high95.2Very high24 Ų2437 Ų3710%0.10421%0.207CC..Hα-helixtrans-63.7-41.3174.3-78.5178.4168.7-1770111.5E302 L310 F445 V471 L472 E474E302-K306 HydrophobicContact CG-CD 4.1Å; E302-K306 HydrophobicContact CG-CG 4.26Å; E302-K306 WeakPolarHBondContact O-CB 3.34Å; E302-K306 VanDerWaalsContact O-CG 3.31Å; E302-K306 WeakPolarHBondContact O-CG 3.5Å; E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact OE1-CE 3.44Å; E302-K306 IonicContact OE1-NZ 2.82Å; E302-K306 PolarHBondContact OE1-NZ 3.13Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 PolarHBondContact O-N 2.71Å; K306-F445 HydrophobicContact CG-CD2 3.91Å; K306-F445 HydrophobicContact CG-CE2 3.77Å; K306-F445 HydrophobicContact CG-CG 4.37Å; K306-F445 HydrophobicContact CG-CZ 4.12Å; K306-V471 VanDerWaalsContact CD-O 3.27Å; K306-V471 WeakPolarHBondContact CD-O 3.44Å; K306-V471 VanDerWaalsContact CE-CG1 3.46Å; K306-V471 WeakPolarHBondContact CE-O 3.38Å; K306-V471 PolarHBondContact NZ-O 3.05Å; K306-L472 HydrophobicContact CB-CD2 4.13Å; K306-L472 HydrophobicContact CG-CD2 3.99Å; K306-E474 IonicContact NZ-OE2 2.81Å; K306-E474 PolarHBondContact NZ-OE2 3.12Å
307D93.2Very high95.4Very high53 Ų5336.6 Ų36.628%0.28320%0.204SC..Hα-helixtrans-69.1-46.3177.2-174.765.1000112A303 E304 L309 L310 Q311A303-D307 PolarHBondContact O-N 2.99Å; A303-D307 VanDerWaalsContact O-N 3.17Å; E304-D307 PolarHBondContact O-N 2.87Å; D307-L309 PolarHBondContact O-N 3.44Å; D307-L310 PolarHBondContact O-N 2.76Å; D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.49Å; D307-Q311 PolarHBondContact O-N 2.74Å; D307-Q311 PolarHBondContact OD1-NE2 3.02Å; D307-Q311 PolarHBondContact OD2-NE2 3.06Å
308L96.8Very high95.7Very high0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-51.4-52.8170.6166.863.8000111.3L286 E304 L310 Q311 V312 I334 Y362 V410 A413L286-L308 HydrophobicContact CD1-CD1 4.39Å; L286-L308 HydrophobicContact CD1-CD2 4.09Å; L286-L308 HydrophobicContact CD2-CD1 3.81Å; L286-L308 HydrophobicContact CD2-CD2 3.78Å; L286-L308 HydrophobicContact CD2-CG 4.44Å; E304-L308 VanDerWaalsContact O-CB 3.27Å; E304-L308 WeakPolarHBondContact O-CB 3.49Å; E304-L308 PolarHBondContact O-N 2.96Å; L308-L310 PolarHBondContact O-N 2.71Å; L308-Q311 PolarHBondContact O-N 2.77Å; L308-V312 HydrophobicContact CD1-CG2 3.81Å; L308-V312 VanDerWaalsContact O-CG2 3.31Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.42Å; L308-I334 HydrophobicContact CD1-CG2 4.35Å; L308-Y362 HydrophobicContact CB-CD2 4.26Å; L308-Y362 HydrophobicContact CB-CE2 3.93Å; L308-Y362 HydrophobicContact CD1-CD1 3.58Å; L308-Y362 HydrophobicContact CD1-CD2 4.11Å; L308-Y362 HydrophobicContact CD1-CE1 3.84Å; L308-Y362 HydrophobicContact CD1-CE2 4.34Å; L308-Y362 HydrophobicContact CD1-CG 3.72Å; L308-V410 HydrophobicContact CD2-CG2 4.38Å; L308-A413 HydrophobicContact CD2-CB 3.78Å
309L97.9Very high95.9Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-59.6-49.9179.6-179.757.4000110.5L305 D307 Q311 V312 V313 L406 V410 F445 L448 L452 L466 L472L305-L309 WeakPolarHBondContact O-CB 3.41Å; L305-L309 PolarHBondContact O-N 3.02Å; D307-L309 PolarHBondContact O-N 3.44Å; L309-Q311 PolarHBondContact O-N 2.61Å; L309-V312 PolarHBondContact O-N 2.6Å; L309-V313 HydrophobicContact CD1-CG2 3.7Å; L309-V313 HydrophobicContact CG-CG2 4.2Å; L309-V313 VanDerWaalsContact O-CB 3.23Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.06Å; L309-L406 HydrophobicContact CD1-CD1 4.4Å; L309-L406 HydrophobicContact CD1-CD2 3.71Å; L309-L406 HydrophobicContact CD1-CG 3.73Å; L309-V410 HydrophobicContact CB-CG2 4.11Å; L309-V410 HydrophobicContact CD1-CG2 4.09Å; L309-F445 HydrophobicContact CD2-CE2 3.94Å; L309-L448 HydrophobicContact CD2-CD2 4.21Å; L309-L452 HydrophobicContact CD1-CD1 4.11Å; L309-L452 HydrophobicContact CD2-CD1 4.35Å; L309-L466 HydrophobicContact CD1-CD2 4.31Å; L309-L472 HydrophobicContact CD2-CD1 4.06Å; L309-L472 HydrophobicContact CD2-CD2 4.04Å; L309-L472 HydrophobicContact CG-CD1 4.06Å
310L96.3Very high96.2Very high13 Ų1328.9 Ų28.97%0.06815%0.146CC..Hα-helixtrans-59.7-47-179.1-179.760.8000112.4K306 D307 L308 V313 M314 L472K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 PolarHBondContact O-N 2.71Å; D307-L310 PolarHBondContact O-N 2.76Å; L308-L310 PolarHBondContact O-N 2.71Å; L310-V313 PolarHBondContact O-N 3.43Å; L310-M314 HydrophobicContact CD1-SD 4.45Å; L310-M314 HydrophobicContact CG-SD 4.28Å; L310-M314 VanDerWaalsContact O-CG 3.31Å; L310-M314 WeakPolarHBondContact O-CG 3.22Å; L310-M314 PolarHBondContact O-N 2.79Å; L310-L472 HydrophobicContact CB-CB 4.5Å; L310-L472 HydrophobicContact CB-CD1 4.49Å; L310-L472 HydrophobicContact CD1-CB 4.36Å
311Q96.4Very high96.3Very high4 Ų432.6 Ų32.62%0.01917%0.173CC..Hα-helixtrans-64-46.2-179.1-71.2-161.442.100112H260 D307 L308 L309 M314 G315 V360 L361 Y362H260-Q311 VanDerWaalsContact CB-O 3.31Å; H260-Q311 WeakPolarHBondContact CB-O 3.43Å; H260-Q311 PolarHBondContact CE1-OE1 3.03Å; H260-Q311 VanDerWaalsContact CG-O 3.26Å; H260-Q311 PolarHBondContact ND1-OE1 3.44Å; D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 VanDerWaalsContact O-CG 3.31Å; D307-Q311 WeakPolarHBondContact O-CG 3.49Å; D307-Q311 PolarHBondContact O-N 2.74Å; D307-Q311 PolarHBondContact OD1-NE2 3.02Å; D307-Q311 PolarHBondContact OD2-NE2 3.06Å; L308-Q311 PolarHBondContact O-N 2.77Å; L309-Q311 PolarHBondContact O-N 2.61Å; Q311-M314 WeakPolarHBondContact O-CB 3.42Å; Q311-M314 PolarHBondContact O-N 3.14Å; Q311-G315 PolarHBondContact O-N 2.59Å; Q311-G315 VanDerWaalsContact O-N 3.15Å; Q311-V360 PolarHBondContact NE2-O 2.75Å; Q311-L361 VanDerWaalsContact OE1-CA 3.27Å; Q311-Y362 HydrophobicContact CB-CD2 4.16Å; Q311-Y362 HydrophobicContact CG-CD2 4.35Å
312V98.4Very high96.4Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-68.5-37.2178.5-179.60000111.2L308 L309 M314 G315 L316 I334 I364 L406L308-V312 HydrophobicContact CD1-CG2 3.81Å; L308-V312 VanDerWaalsContact O-CG2 3.31Å; L308-V312 WeakPolarHBondContact O-CG2 3.39Å; L308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 2.6Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.13Å; V312-G315 CarbonylContact O-C 3.53Å; V312-G315 WeakPolarHBondContact O-CA 3.48Å; V312-G315 PolarHBondContact O-N 3.27Å; V312-G315 VanDerWaalsContact O-N 3.07Å; V312-L316 PolarHBondContact O-N 2.79Å; V312-I334 HydrophobicContact CG1-CD1 4.16Å; V312-I334 HydrophobicContact CG2-CD1 4.02Å; V312-I334 HydrophobicContact CG2-CG1 4.31Å; V312-I334 HydrophobicContact CG2-CG2 3.99Å; V312-I364 HydrophobicContact CG1-CD1 4.01Å; V312-I364 HydrophobicContact CG1-CG1 3.96Å; V312-L406 HydrophobicContact CB-CD1 3.99Å; V312-L406 HydrophobicContact CB-CD2 4.21Å; V312-L406 HydrophobicContact CG1-CD1 3.59Å; V312-L406 HydrophobicContact CG1-CD2 3.86Å; V312-L406 HydrophobicContact CG1-CG 4.38Å
313V98.3Very high96.5Very high0 Ų032.1 Ų32.10%017%0.172CC..Hα-helixtrans-62.1-36.4172.5170.50000111.8L309 L310 G315 L316 K317 M403 L406 A463 L466L309-V313 HydrophobicContact CD1-CG2 3.7Å; L309-V313 HydrophobicContact CG-CG2 4.2Å; L309-V313 VanDerWaalsContact O-CB 3.23Å; L309-V313 WeakPolarHBondContact O-CB 3.49Å; L309-V313 WeakPolarHBondContact O-CG2 3.42Å; L309-V313 PolarHBondContact O-N 3.06Å; L310-V313 PolarHBondContact O-N 3.43Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.16Å; V313-L316 PolarHBondContact O-N 3.39Å; V313-K317 VanDerWaalsContact O-CB 3.26Å; V313-K317 WeakPolarHBondContact O-CB 3.1Å; V313-K317 PolarHBondContact O-N 3.44Å; V313-M403 HydrophobicContact CG2-CE 4.29Å; V313-L406 HydrophobicContact CG2-CD2 3.54Å; V313-A463 HydrophobicContact CG1-CB 4.16Å; V313-A463 VanDerWaalsContact CG1-O 3.26Å; V313-A463 WeakPolarHBondContact CG1-O 3.43Å; V313-L466 HydrophobicContact CG1-CB 3.84Å; V313-L466 HydrophobicContact CG1-CD2 4.29Å; V313-L466 HydrophobicContact CG1-CG 4.04Å; V313-L466 HydrophobicContact CG2-CD2 3.51Å; V313-L466 HydrophobicContact CG2-CG 3.94Å
314M97.4Very high96.8Very high72 Ų7230.6 Ų30.636%0.35516%0.158SC..Hα-helixtrans-63.5-38.3172.6-73.1171.559.900111.5H258 L310 Q311 V312 F318H258-M314 PolarHBondContact CE1-O 2.96Å; H258-M314 VanDerWaalsContact CE1-O 3.24Å; L310-M314 HydrophobicContact CD1-SD 4.45Å; L310-M314 HydrophobicContact CG-SD 4.28Å; L310-M314 VanDerWaalsContact O-CG 3.31Å; L310-M314 WeakPolarHBondContact O-CG 3.22Å; L310-M314 PolarHBondContact O-N 2.79Å; Q311-M314 WeakPolarHBondContact O-CB 3.42Å; Q311-M314 PolarHBondContact O-N 3.14Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.13Å; M314-F318 PolarHBondContact O-N 2.97Å
315G97.8Very high97Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-62.9-49.5171.300000113.2Q311 V312 V313 K317 F318 I319Q311-G315 PolarHBondContact O-N 2.59Å; Q311-G315 VanDerWaalsContact O-N 3.15Å; V312-G315 CarbonylContact O-C 3.53Å; V312-G315 WeakPolarHBondContact O-CA 3.48Å; V312-G315 PolarHBondContact O-N 3.27Å; V312-G315 VanDerWaalsContact O-N 3.07Å; V313-G315 VanDerWaalsContact C-N 3.31Å; V313-G315 PolarHBondContact O-N 3.16Å; G315-K317 PolarHBondContact O-N 2.82Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.97Å; G315-F318 VanDerWaalsContact O-N 3.16Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.14Å
316L98.6Very high97Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-61.7-43.6177.2-75.6-179.1000112.3V312 V313 F318 I319 H320 H326 I329 I364 D402 M403 L406 A463V312-L316 PolarHBondContact O-N 2.79Å; V313-L316 PolarHBondContact O-N 3.39Å; L316-F318 PolarHBondContact O-N 2.88Å; L316-I319 PolarHBondContact O-N 3.24Å; L316-I319 VanDerWaalsContact O-N 3.13Å; L316-H320 WeakPolarHBondContact O-CB 3.33Å; L316-H320 PolarHBondContact O-CD2 3.48Å; L316-H320 PolarHBondContact O-N 2.93Å; L316-H326 HydrophobicContact CD2-CB 4.33Å; L316-I329 HydrophobicContact CD2-CD1 3.84Å; L316-I329 HydrophobicContact CD2-CG1 4.06Å; L316-I364 HydrophobicContact CD2-CD1 3.9Å; L316-I364 HydrophobicContact CG-CD1 3.87Å; L316-D402 HydrophobicContact CD1-CB 3.97Å; L316-D402 HydrophobicContact CD2-CB 3.82Å; L316-M403 HydrophobicContact CD1-SD 3.95Å; L316-L406 HydrophobicContact CD1-CB 4.4Å; L316-L406 HydrophobicContact CD1-CD2 3.76Å; L316-A463 HydrophobicContact CB-CB 4.04Å
317K98.2Very high97.1Very high99 Ų9927.3 Ų27.343%0.4314%0.143SC..Hα-helixtrans-55.1-39.5175.3176.3-167.9159.8-151.30111.4V313 G315 S321 A463 C467V313-K317 VanDerWaalsContact O-CB 3.26Å; V313-K317 WeakPolarHBondContact O-CB 3.1Å; V313-K317 PolarHBondContact O-N 3.44Å; G315-K317 PolarHBondContact O-N 2.82Å; K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 2.91Å; K317-S321 VanDerWaalsContact O-N 3.14Å; K317-A463 HydrophobicContact CB-CB 3.81Å; K317-C467 HydrophobicContact CD-CB 4.4Å; K317-C467 VanDerWaalsContact CD-SG 3.56Å
318F97.5Very high97.3Very high36 Ų3625 Ų2516%0.15813%0.131CC..Hα-helixtrans-65.8-53175.7-178.1-101.2000110.8L255 H258 V261 M314 G315 L316 H320 S321 Y322L255-F318 HydrophobicContact CB-CE1 4.2Å; L255-F318 HydrophobicContact CD2-CD1 4.25Å; L255-F318 HydrophobicContact CD2-CE1 4.15Å; L255-F318 WeakPolarHBondContact O-CE1 3.32Å; L255-F318 WeakPolarHBondContact O-CZ 3.46Å; H258-F318 HydrophobicContact CB-CB 4.5Å; H258-F318 HydrophobicContact CB-CD1 3.52Å; H258-F318 HydrophobicContact CB-CD2 4.07Å; H258-F318 HydrophobicContact CB-CE1 3.55Å; H258-F318 HydrophobicContact CB-CE2 4.09Å; H258-F318 HydrophobicContact CB-CG 3.78Å; H258-F318 HydrophobicContact CB-CZ 3.84Å; H258-F318 AromaticContact CD2-CD2 3.56Å; H258-F318 AromaticContact CD2-CG 3.65Å; H258-F318 AromaticContact CG-CD1 3.83Å; H258-F318 AromaticContact CG-CD2 3.91Å; H258-F318 AromaticContact CG-CG 3.6Å; V261-F318 HydrophobicContact CG2-CD1 4.27Å; M314-F318 PolarHBondContact O-N 2.97Å; G315-F318 WeakPolarHBondContact O-CB 3.43Å; G315-F318 PolarHBondContact O-N 2.97Å; G315-F318 VanDerWaalsContact O-N 3.16Å; L316-F318 PolarHBondContact O-N 2.88Å; F318-H320 PolarHBondContact O-N 3.43Å; F318-S321 PolarHBondContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.4Å; F318-Y322 HydrophobicContact CD2-CE2 4.19Å; F318-Y322 HydrophobicContact CE1-CE2 4.02Å; F318-Y322 AromaticContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CZ-CD2 4.49Å; F318-Y322 AromaticContact CZ-CE2 3.59Å; F318-Y322 HydrophobicContact CZ-CE2 3.59Å; F318-Y322 WeakPolarHBondContact O-CD2 3.01Å
319I97.4Very high97.3Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-56.4-48.6179.1-64168.4000111.3L255 V261 G315 L316 S321 Y322 L324 I364L255-I319 HydrophobicContact CD1-CG1 4.11Å; L255-I319 HydrophobicContact CD2-CB 4.3Å; L255-I319 HydrophobicContact CD2-CG1 4.07Å; L255-I319 HydrophobicContact CD2-CG2 4.47Å; V261-I319 HydrophobicContact CG2-CD1 4.18Å; V261-I319 HydrophobicContact CG2-CG1 4.18Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.14Å; L316-I319 PolarHBondContact O-N 3.24Å; L316-I319 VanDerWaalsContact O-N 3.13Å; I319-S321 VanDerWaalsContact C-N 3.26Å; I319-S321 PolarHBondContact O-N 2.94Å; I319-Y322 PolarHBondContact O-N 2.84Å; I319-Y322 VanDerWaalsContact O-N 3.13Å; I319-L324 HydrophobicContact CG2-CB 3.9Å; I319-L324 PolarHBondContact O-N 2.85Å; I319-I364 HydrophobicContact CD1-CD1 4.05Å; I319-I364 HydrophobicContact CD1-CG2 4.2Å
320H97.9Very high97.3Very high35 Ų3526.5 Ų26.516%0.16214%0.138CC..Hα-helixtrans-62.1-30.3178.7-62.7172.1000112.8L316 F318 Y322 G323 L324 P399 D402L316-H320 WeakPolarHBondContact O-CB 3.33Å; L316-H320 PolarHBondContact O-CD2 3.48Å; L316-H320 PolarHBondContact O-N 2.93Å; F318-H320 PolarHBondContact O-N 3.43Å; H320-Y322 VanDerWaalsContact C-N 3.26Å; H320-Y322 PolarHBondContact O-N 2.94Å; H320-G323 PolarHBondContact O-N 2.79Å; H320-G323 VanDerWaalsContact O-N 3.08Å; H320-L324 WeakPolarHBondContact CA-O 3.14Å; H320-L324 PolarHBondContact CD2-O 3.07Å; H320-P399 PolarHBondContact CE1-O 2.78Å; H320-P399 VanDerWaalsContact CE1-O 3.24Å; H320-D402 IonicContact CD2-OD2 3.9Å; H320-D402 IonicContact CE1-OD2 2.63Å; H320-D402 IonicContact NE2-OD2 3.5Å; H320-D402 PolarHBondContact NE2-OD2 2.68Å
321S96.4Very high97.4Very high88 Ų8826.4 Ų26.462%0.61514%0.137SC*.Hα-helixtrans-69.7-19.4177.571.10000114.4K317 F318 I319 G323K317-S321 WeakPolarHBondContact O-CB 3.47Å; K317-S321 PolarHBondContact O-N 2.91Å; K317-S321 VanDerWaalsContact O-N 3.14Å; F318-S321 PolarHBondContact O-N 3.15Å; F318-S321 PolarHBondContact O-OG 3.4Å; I319-S321 VanDerWaalsContact C-N 3.26Å; I319-S321 PolarHBondContact O-N 2.94Å; S321-G323 VanDerWaalsContact C-N 3.3Å
322Y96.1Very high97.4Very high113 Ų11328.5 Ų28.544%0.44315%0.153SC..THydrogen-bonded Turntrans-87.86.3171.2-75.2-98.1000113V254 L255 F318 I319 H320 L324V254-Y322 HydrophobicContact CG1-CD1 3.91Å; V254-Y322 WeakPolarHBondContact O-CE1 3.35Å; L255-Y322 HydrophobicContact CD2-CD2 4.02Å; L255-Y322 HydrophobicContact CD2-CG 4.2Å; F318-Y322 HydrophobicContact CD2-CE2 4.19Å; F318-Y322 HydrophobicContact CE1-CE2 4.02Å; F318-Y322 AromaticContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CE2-CE2 3.68Å; F318-Y322 HydrophobicContact CZ-CD2 4.49Å; F318-Y322 AromaticContact CZ-CE2 3.59Å; F318-Y322 HydrophobicContact CZ-CE2 3.59Å; F318-Y322 WeakPolarHBondContact O-CD2 3.01Å; I319-Y322 PolarHBondContact O-N 2.84Å; I319-Y322 VanDerWaalsContact O-N 3.13Å; H320-Y322 VanDerWaalsContact C-N 3.26Å; H320-Y322 PolarHBondContact O-N 2.94Å; Y322-L324 VanDerWaalsContact C-N 3.25Å; Y322-L324 PolarHBondContact O-N 3.5Å
323G95.9Very high97.4Very high31 Ų3128.9 Ų28.932%0.3216%0.155SC..THydrogen-bonded Turntrans68.825.3-17500000113.4H320 S321 S372 V373H320-G323 PolarHBondContact O-N 2.79Å; H320-G323 VanDerWaalsContact O-N 3.08Å; S321-G323 VanDerWaalsContact C-N 3.3Å; G323-S372 WeakPolarHBondContact O-CA 3.34Å; G323-V373 PolarHBondContact O-N 3.15Å
324L96.7Very high97.4Very high10 Ų1028.9 Ų28.95%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-109.5159.7176.2-61.6177.7000110.6V254 L255 I319 H320 Y322 V370 T371V254-L324 HydrophobicContact CB-CD1 4.37Å; V254-L324 HydrophobicContact CG1-CD1 3.98Å; L255-L324 HydrophobicContact CD1-CD1 4.42Å; L255-L324 HydrophobicContact CD2-CD1 3.97Å; L255-L324 HydrophobicContact CG-CD1 3.95Å; I319-L324 HydrophobicContact CG2-CB 3.9Å; I319-L324 PolarHBondContact O-N 2.85Å; H320-L324 WeakPolarHBondContact CA-O 3.14Å; H320-L324 PolarHBondContact CD2-O 3.07Å; Y322-L324 VanDerWaalsContact C-N 3.25Å; Y322-L324 PolarHBondContact O-N 3.5Å; L324-V370 HydrophobicContact CB-CG1 4.09Å; L324-V370 HydrophobicContact CD1-CG1 4.17Å; L324-V370 HydrophobicContact CD2-CG1 4.25Å; L324-V370 HydrophobicContact CG-CG1 4.41Å; L324-T371 WeakPolarHBondContact CA-O 3.37Å
325V97.5Very high97.4Very high0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-135.4153.2173.4-74.40000110L327 V370 T371 V373 L398 P399V325-L327 HydrophobicContact CB-CD2 4.06Å; V325-L327 HydrophobicContact CB-CG 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.03Å; V325-L327 HydrophobicContact CG2-CD2 3.91Å; V325-L327 HydrophobicContact CG2-CG 3.83Å; V325-V370 VanDerWaalsContact O-CA 3.27Å; V325-V370 WeakPolarHBondContact O-CA 3.43Å; V325-T371 HydrophobicContact CG2-CG2 3.73Å; V325-T371 WeakPolarHBondContact CG2-O 3.37Å; V325-T371 PolarHBondContact N-O 3.24Å; V325-T371 PolarHBondContact O-N 3.21Å; V325-V373 HydrophobicContact CG1-CG2 3.61Å; V325-V373 HydrophobicContact CG2-CG2 4.48Å; V325-L398 HydrophobicContact CB-CB 4.42Å; V325-L398 HydrophobicContact CG1-CB 3.95Å; V325-L398 HydrophobicContact CG2-CB 4.05Å; V325-L398 HydrophobicContact CG2-CD1 4.14Å; V325-P399 HydrophobicContact CG1-CB 4.15Å; V325-P399 HydrophobicContact CG1-CG 3.69Å
326H97.6Very high97.3Very high0 Ų029 Ų290%015%0.154CC..  trans-88.8-44.2-172.8-167.8-85.1000113.6L316 D328 I329 I364 G365 H369 D402L316-H326 HydrophobicContact CD2-CB 4.33Å; H326-D328 PolarHBondContact CE1-O 2.91Å; H326-D328 VanDerWaalsContact ND1-C 3.3Å; H326-D328 PolarHBondContact ND1-N 3.41Å; H326-D328 PolarHBondContact ND1-O 2.95Å; H326-D328 PolarHBondContact O-N 2.93Å; H326-I329 HydrophobicContact CB-CD1 3.87Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 WeakPolarHBondContact ND1-CD1 3.46Å; H326-I329 PolarHBondContact ND1-N 3.17Å; H326-I364 WeakPolarHBondContact CD2-CG2 3.4Å; H326-I364 VanDerWaalsContact NE2-CG2 3.3Å; H326-I364 WeakPolarHBondContact NE2-CG2 3.06Å; H326-G365 PolarHBondContact NE2-O 3.14Å; H326-H369 CarbonylContact O-C 3.57Å; H326-H369 WeakPolarHBondContact O-CB 3.19Å; H326-D402 PolarHBondContact N-OD1 2.99Å; H326-D402 PolarHBondContact N-OD2 3.37Å
327L96.8Very high97Very high20 Ų2029.6 Ų29.611%0.10516%0.158CC..SBendtrans62.2-12.1177.6-52.6-175.6000117.5V325 H369 T371 V378 L398 A401 D402V325-L327 HydrophobicContact CB-CD2 4.06Å; V325-L327 HydrophobicContact CB-CG 4.23Å; V325-L327 HydrophobicContact CG2-CD1 4.03Å; V325-L327 HydrophobicContact CG2-CD2 3.91Å; V325-L327 HydrophobicContact CG2-CG 3.83Å; L327-H369 HydrophobicContact CB-CB 4.4Å; L327-T371 HydrophobicContact CD1-CG2 3.68Å; L327-V378 HydrophobicContact CD1-CB 4.5Å; L327-V378 HydrophobicContact CD1-CG1 4.09Å; L327-V378 HydrophobicContact CD1-CG2 4.08Å; L327-L398 HydrophobicContact CD2-CB 4.47Å; L327-L398 HydrophobicContact CD2-CD2 4.06Å; L327-A401 HydrophobicContact CD2-CB 4.47Å; L327-D402 WeakPolarHBondContact CA-OD1 3.16Å; L327-D402 PolarHBondContact N-OD1 3Å
328D96.5Very high96.3Very high5 Ų530 Ų303%0.02716%0.162CC..  trans-125.650173.4-163.440.9000112.5H326 K330 N333 H369 D382H326-D328 PolarHBondContact CE1-O 2.91Å; H326-D328 VanDerWaalsContact ND1-C 3.3Å; H326-D328 PolarHBondContact ND1-N 3.41Å; H326-D328 PolarHBondContact ND1-O 2.95Å; H326-D328 PolarHBondContact O-N 2.93Å; D328-K330 PolarHBondContact O-N 3.42Å; D328-K330 WeakPolarHBondContact OD1-CE 3.44Å; D328-K330 IonicContact OD1-NZ 2.72Å; D328-K330 PolarHBondContact OD1-NZ 2.89Å; D328-K330 WeakPolarHBondContact OD2-CE 3.33Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.47Å; D328-N333 PolarHBondContact O-ND2 2.98Å; D328-N333 PolarHBondContact OD2-ND2 3.13Å; D328-H369 HydrophobicContact CB-CB 3.98Å; D328-D382 PolarHBondContact OD1-N 3.43Å
329I98.6Very high94.8Very high2 Ų232.9 Ų32.91%0.0118%0.175CC..  trans-77117.8173.9-64.9-67.7000109.7L316 H326 I364 D402 A405 L406L316-I329 HydrophobicContact CD2-CD1 3.84Å; L316-I329 HydrophobicContact CD2-CG1 4.06Å; H326-I329 HydrophobicContact CB-CD1 3.87Å; H326-I329 HydrophobicContact CB-CG1 3.92Å; H326-I329 WeakPolarHBondContact ND1-CD1 3.46Å; H326-I329 PolarHBondContact ND1-N 3.17Å; I329-I364 HydrophobicContact CD1-CD1 4.18Å; I329-I364 HydrophobicContact CD1-CG1 4.38Å; I329-I364 HydrophobicContact CD1-CG2 3.82Å; I329-D402 HydrophobicContact CG1-CB 4.39Å; I329-A405 HydrophobicContact CB-CB 3.97Å; I329-A405 HydrophobicContact CG2-CB 4.42Å; I329-L406 HydrophobicContact CG2-CB 4.16Å; I329-L406 HydrophobicContact CG2-CD1 4.39Å
330K98Very high92.8Very high29 Ų2937.9 Ų37.913%0.12621%0.208CC..SBendtrans-161.6164.1179.660.5-169.8179.2-1510110.8D328 S332 N333 I334 D382 F385D328-K330 PolarHBondContact O-N 3.42Å; D328-K330 WeakPolarHBondContact OD1-CE 3.44Å; D328-K330 IonicContact OD1-NZ 2.72Å; D328-K330 PolarHBondContact OD1-NZ 2.89Å; D328-K330 WeakPolarHBondContact OD2-CE 3.33Å; D328-K330 IonicContact OD2-NZ 2.67Å; D328-K330 PolarHBondContact OD2-NZ 3.47Å; K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 WeakPolarHBondContact CE-OG 3.42Å; K330-S332 WeakPolarHBondContact CG-OG 3.3Å; K330-S332 PolarHBondContact O-N 3.06Å; K330-S332 VanDerWaalsContact O-N 3.13Å; K330-N333 WeakPolarHBondContact CE-ND2 3.43Å; K330-N333 VanDerWaalsContact CE-OD1 3.26Å; K330-N333 WeakPolarHBondContact CE-OD1 3.23Å; K330-N333 HydrophobicContact CG-CB 4.2Å; K330-N333 PolarHBondContact O-N 3.29Å; K330-I334 PolarHBondContact O-N 2.79Å; K330-D382 HydrophobicContact CD-CB 3.82Å; K330-F385 HydrophobicContact CB-CD1 4.1Å; K330-F385 HydrophobicContact CB-CD2 3.67Å; K330-F385 HydrophobicContact CB-CE1 4.03Å; K330-F385 HydrophobicContact CB-CE2 3.59Å; K330-F385 HydrophobicContact CB-CG 3.94Å; K330-F385 HydrophobicContact CB-CZ 3.78Å; K330-F385 HydrophobicContact CD-CD2 4.45Å
331P98.3Very high90.5Very high10 Ų1039.1 Ų39.17%0.06522%0.22CC..G310 helixtrans-55.5-29.8-178.7-27.634.4000116.1L286 S287 I290 N333 F385 T409 L412L286-P331 HydrophobicContact CB-CB 4.37Å; L286-P331 WeakPolarHBondContact CB-O 3.25Å; L286-P331 HydrophobicContact CD2-CB 4.32Å; L286-P331 HydrophobicContact CG-CB 4.22Å; L286-P331 PolarHBondContact N-O 3.37Å; S287-P331 PolarHBondContact N-O 3.07Å; I290-P331 HydrophobicContact CD1-CB 4.12Å; I290-P331 HydrophobicContact CD1-CG 4.22Å; P331-N333 VanDerWaalsContact C-N 3.26Å; P331-N333 PolarHBondContact O-N 3.24Å; P331-F385 HydrophobicContact CG-CE1 4.46Å; P331-F385 HydrophobicContact CG-CZ 4.26Å; P331-T409 HydrophobicContact CG-CG2 4.07Å; P331-L412 HydrophobicContact CG-CD1 4.18Å
332S96.2Very high87.9Confident49 Ų4938.7 Ų38.734%0.34322%0.223SC..G310 helixtrans-71.9-20177.261.10000113.7K330K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 WeakPolarHBondContact CE-OG 3.42Å; K330-S332 WeakPolarHBondContact CG-OG 3.3Å; K330-S332 PolarHBondContact O-N 3.06Å; K330-S332 VanDerWaalsContact O-N 3.13Å
333N97.3Very high85.2Confident8 Ų838.3 Ų38.34%0.04324%0.242CC..G310 helixtrans-107.14.1-173.6-62.716.7000111.9D328 K330 P331 G365D328-N333 PolarHBondContact O-ND2 2.98Å; D328-N333 PolarHBondContact OD2-ND2 3.13Å; K330-N333 WeakPolarHBondContact CE-ND2 3.43Å; K330-N333 VanDerWaalsContact CE-OD1 3.26Å; K330-N333 WeakPolarHBondContact CE-OD1 3.23Å; K330-N333 HydrophobicContact CG-CB 4.2Å; K330-N333 PolarHBondContact O-N 3.29Å; P331-N333 VanDerWaalsContact C-N 3.26Å; P331-N333 PolarHBondContact O-N 3.24Å; N333-G365 PolarHBondContact O-N 3.5Å
334I98.5Very high82.5Confident0 Ų042.5 Ų42.50%026%0.262CS..EExtended strand (participates in β ladder)trans-107117.9169.8-65.3160.9000106.9S285 L286 L308 V312 K330 Y362 K363 T409S285-I334 CarbonylContact C-O 3.57Å; S285-I334 WeakPolarHBondContact CA-O 3.33Å; L286-I334 HydrophobicContact CB-CB 4.09Å; L286-I334 HydrophobicContact CB-CG2 4.16Å; L286-I334 HydrophobicContact CD2-CB 4.34Å; L286-I334 HydrophobicContact CD2-CD1 4.09Å; L286-I334 HydrophobicContact CD2-CG2 4.34Å; L286-I334 PolarHBondContact N-O 3.47Å; L308-I334 HydrophobicContact CD1-CG2 4.35Å; V312-I334 HydrophobicContact CG1-CD1 4.16Å; V312-I334 HydrophobicContact CG2-CD1 4.02Å; V312-I334 HydrophobicContact CG2-CG1 4.31Å; V312-I334 HydrophobicContact CG2-CG2 3.99Å; K330-I334 PolarHBondContact O-N 2.79Å; I334-Y362 HydrophobicContact CG2-CD1 4.18Å; I334-K363 CarbonylContact C-O 3.53Å; I334-K363 WeakPolarHBondContact CA-O 3.43Å; I334-T409 HydrophobicContact CD1-CG2 3.59Å
335F97.8Very high79.8Confident60 Ų6045.9 Ų45.926%0.26330%0.299SS..EExtended strand (participates in β ladder)trans-103.8150.2-176.4-62.8-87000111.4V262 C281 G284 Y362 K363V262-F335 HydrophobicContact CG2-CB 4.27Å; V262-F335 HydrophobicContact CG2-CD2 3.75Å; V262-F335 HydrophobicContact CG2-CG 4.29Å; C281-F335 HydrophobicContact CB-CB 3.64Å; C281-F335 HydrophobicContact CB-CD1 4.47Å; C281-F335 HydrophobicContact CB-CG 4.4Å; C281-F335 VanDerWaalsContact SG-CB 3.53Å; G284-F335 WeakPolarHBondContact O-CA 3.31Å; F335-Y362 CarbonylContact O-C 3.57Å; F335-Y362 WeakPolarHBondContact O-CA 3.42Å; F335-K363 PolarHBondContact N-O 2.95Å; F335-K363 PolarHBondContact O-N 2.85Å
336I96.4Very high76.8Confident13 Ų1356.6 Ų56.67%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-109.7127.3-176.4-62.3168.3000109.4C281 G283 G284 A289 V360 L361 Y362C281-I336 CarbonylContact C-O 3.52Å; C281-I336 WeakPolarHBondContact CB-O 3.47Å; G283-I336 VanDerWaalsContact CA-O 3.31Å; G283-I336 WeakPolarHBondContact CA-O 3.35Å; G283-I336 PolarHBondContact N-O 3.2Å; G284-I336 PolarHBondContact O-N 2.9Å; A289-I336 HydrophobicContact CB-CD1 3.59Å; I336-V360 HydrophobicContact CG2-CG1 3.75Å; I336-L361 CarbonylContact C-O 3.56Å; I336-L361 WeakPolarHBondContact CA-O 3.31Å; I336-Y362 HydrophobicContact CD1-CE1 4.05Å; I336-Y362 HydrophobicContact CG1-CD1 3.82Å; I336-Y362 HydrophobicContact CG1-CE1 3.82Å
337C92Very high74.3Confident14 Ų1465.9 Ų65.910%0.09538%0.383CS..EExtended strand (participates in β ladder)trans-109.5131.9165.9-60.70000109.3D282 L361 K363D282-C337 VanDerWaalsContact OD1-CA 3.29Å; D282-C337 WeakPolarHBondContact OD1-CA 3.27Å; C337-L361 HydrophobicContact CB-CB 4.25Å; C337-L361 PolarHBondContact N-O 3.29Å; C337-L361 PolarHBondContact O-N 2.96Å; C337-K363 VanDerWaalsContact SG-CE 3.57Å
338Q83.9Confident71.5Confident108 Ų10870 Ų7051%0.50541%0.413SS..EExtended strand (participates in β ladder)trans-91.5106.1169.5-62-169.5-17.600108.8D282 P340D282-Q338 PolarHBondContact OD1-N 3.46Å; Q338-P340 VanDerWaalsContact O-CD 3.27Å; Q338-P340 WeakPolarHBondContact O-CD 3.38Å
339Q65.4Low69.1Low95 Ų9579.5 Ų79.544%0.44446%0.458SS..EExtended strand (participates in β ladder)trans-77.4118.8167.6-76.2-168.5-27.100108.9S341 A358 R359 L361Q339-S341 PolarHBondContact O-N 3.04Å; Q339-A358 CarbonylContact O-C 3.51Å; Q339-A358 VanDerWaalsContact O-CA 3.31Å; Q339-A358 WeakPolarHBondContact O-CA 3.43Å; Q339-A358 WeakPolarHBondContact O-CB 3.42Å; Q339-R359 HydrophobicContact CB-CB 4.32Å; Q339-R359 PolarHBondContact N-O 3.49Å; Q339-R359 PolarHBondContact O-N 3.32Å; Q339-L361 VanDerWaalsContact CD-CD1 3.4Å; Q339-L361 HydrophobicContact CG-CD1 3.77Å; Q339-L361 HydrophobicContact CG-CG 4.27Å
340P55.8Low66.2Low106 Ų10682.3 Ų82.369%0.68849%0.487SS*.  trans-55.7132.5160.525.4-32.5000107.3Q338 A342Q338-P340 VanDerWaalsContact O-CD 3.27Å; Q338-P340 WeakPolarHBondContact O-CD 3.38Å; P340-A342 PolarHBondContact O-N 3Å
341S48.1Very low63.7Low60 Ų6090.4 Ų90.442%0.4253%0.525SS..  trans-47.7114.317028.70000107.6Q339 A343 S356Q339-S341 PolarHBondContact O-N 3.04Å; S341-A343 PolarHBondContact O-N 2.97Å; S341-S356 PolarHBondContact OG-OG 3.38Å
342A43.8Very low60.9Low80 Ų8097.3 Ų97.366%0.66156%0.561SS**  trans-62.7111.3-168.900000109.3P340 T344P340-A342 PolarHBondContact O-N 3Å; A342-T344 PolarHBondContact O-N 3.15Å; A342-T344 PolarHBondContact O-OG1 3.22Å
343A39.2Very low58.6Low104 Ų104105 Ų10586%0.8659%0.592SS**  trans-68.762.116200000109.1S341 G345S341-A343 PolarHBondContact O-N 2.97Å; A343-G345 PolarHBondContact O-N 3.18Å
344T38.5Very low56Low119 Ų119113.2 Ų113.273%0.7363%0.63SS**  trans-62.996.1158.933.60000106.5A342 R346A342-T344 PolarHBondContact O-N 3.15Å; A342-T344 PolarHBondContact O-OG1 3.22Å; T344-R346 VanDerWaalsContact C-N 3.3Å; T344-R346 PolarHBondContact O-N 3.35Å
345G39Very low53.3Low81 Ų81122.8 Ų122.884%0.83567%0.668SS**  trans-56.989-17800000112.2A343A343-G345 PolarHBondContact O-N 3.18Å
346R36.3Very low50.6Low225 Ų225124.9 Ų124.985%0.84969%0.69SS**  trans-118.3110.4151.2-73.5-171.8176.1-169.2-0.5105.7T344 S348T344-R346 VanDerWaalsContact C-N 3.3Å; T344-R346 PolarHBondContact O-N 3.35Å; R346-S348 VanDerWaalsContact C-N 3.31Å; R346-S348 PolarHBondContact O-N 3.21Å
347E43.5Very low48.4Very low196 Ų196127.6 Ų127.692%0.91671%0.71SS**  trans-5998.3167.1-66.3159.8-171.500107.3
348S38.8Very low46.7Very low105 Ų105129 Ų12973%0.73472%0.722SS**  trans-121.296.2159.6-70.40000105R346 G350R346-S348 VanDerWaalsContact C-N 3.31Å; R346-S348 PolarHBondContact O-N 3.21Å; S348-G350 PolarHBondContact O-N 2.89Å
349E45.3Very low46.4Very low206 Ų206130.5 Ų130.596%0.96372%0.723SS**  trans-57.9103.3166.3-64.8178.8152.300107.1
350G37.8Very low47.6Very low60 Ų60128.4 Ų128.462%0.61972%0.717SS**  trans-151.4108-178.700000107.3S348 D352S348-G350 PolarHBondContact O-N 2.89Å; G350-D352 VanDerWaalsContact C-N 3.34Å; G350-D352 PolarHBondContact O-N 3.49Å
351E46.8Very low49.4Very low200 Ų200123.9 Ų123.994%0.93569%0.687SS**  trans-7483.5-176.8-63.8175.5159.300110.4
352D39.7Very low51.7Low154 Ų154121.6 Ų121.682%0.82467%0.669SS**  trans-136.670.6166.4-83.1-45.9000109.3G350 E354G350-D352 VanDerWaalsContact C-N 3.34Å; G350-D352 PolarHBondContact O-N 3.49Å; D352-E354 PolarHBondContact O-N 2.7Å
353E47.3Very low54.3Low212 Ų212118.5 Ų118.599%0.99164%0.641SS**  trans-73.469.5165.6-75.9-157.2160.700110.9
354E42.8Very low57.1Low180 Ų180113.6 Ų113.684%0.84160%0.6SS**SBendtrans-121.998.5166.4-159166.5-167.800112.3D352D352-E354 PolarHBondContact O-N 2.7Å
355Y41.8Very low59.8Low201 Ų201107.9 Ų107.979%0.78857%0.565SS**  trans66.570.9164.3-125.8-112000116.6S357Y355-S357 WeakPolarHBondContact CD1-OG 3.12Å; Y355-S357 WeakPolarHBondContact CE1-OG 3.5Å; Y355-S357 PolarHBondContact O-N 3.06Å
356S39.9Very low62.3Low104 Ų104105.6 Ų105.673%0.72753%0.534SS*.  trans-67.361158.7177.10000112S341 A358S341-S356 PolarHBondContact OG-OG 3.38Å; S356-A358 PolarHBondContact O-N 3.07Å
357S49.9Very low65Low70 Ų7094.9 Ų94.949%0.4949%0.493SS..  trans-67.8123.5170-104.70000110.4Y355 R359Y355-S357 WeakPolarHBondContact CD1-OG 3.12Å; Y355-S357 WeakPolarHBondContact CE1-OG 3.5Å; Y355-S357 PolarHBondContact O-N 3.06Å; S357-R359 PolarHBondContact O-N 3.25Å
358A56.8Low67.1Low42 Ų4285.9 Ų85.935%0.34745%0.453SS..  trans-52.7129.8167.500000109.6Q339 S356 V360Q339-A358 CarbonylContact O-C 3.51Å; Q339-A358 VanDerWaalsContact O-CA 3.31Å; Q339-A358 WeakPolarHBondContact O-CA 3.43Å; Q339-A358 WeakPolarHBondContact O-CB 3.42Å; S356-A358 PolarHBondContact O-N 3.07Å; A358-V360 PolarHBondContact O-N 2.97Å; A358-V360 VanDerWaalsContact O-N 3.14Å
359R77.9Confident69.6Low140 Ų14081.8 Ų81.853%0.52842%0.422SS..EExtended strand (participates in β ladder)trans-75.1110.5-178-179178.6178171-1.4108.7Q339 S357 L361Q339-R359 HydrophobicContact CB-CB 4.32Å; Q339-R359 PolarHBondContact N-O 3.49Å; Q339-R359 PolarHBondContact O-N 3.32Å; S357-R359 PolarHBondContact O-N 3.25Å; R359-L361 HydrophobicContact CG-CD2 4.35Å; R359-L361 PolarHBondContact O-N 3.38Å
360V89.8Confident72Confident51 Ų5172.4 Ų72.431%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-67.2124.3173.6-1740000109.1Q311 I336 A358 Y362Q311-V360 PolarHBondContact NE2-O 2.75Å; I336-V360 HydrophobicContact CG2-CG1 3.75Å; A358-V360 PolarHBondContact O-N 2.97Å; A358-V360 VanDerWaalsContact O-N 3.14Å; V360-Y362 HydrophobicContact CG1-CE1 4.05Å; V360-Y362 HydrophobicContact CG1-CE2 3.9Å
361L94.4Very high74.6Confident12 Ų1270.1 Ų70.16%0.06335%0.353CS..EExtended strand (participates in β ladder)trans-114.3129171.9-68.9-174.4000110.9Q311 I336 C337 Q339 R359Q311-L361 VanDerWaalsContact OE1-CA 3.27Å; I336-L361 CarbonylContact C-O 3.56Å; I336-L361 WeakPolarHBondContact CA-O 3.31Å; C337-L361 HydrophobicContact CB-CB 4.25Å; C337-L361 PolarHBondContact N-O 3.29Å; C337-L361 PolarHBondContact O-N 2.96Å; Q339-L361 VanDerWaalsContact CD-CD1 3.4Å; Q339-L361 HydrophobicContact CG-CD1 3.77Å; Q339-L361 HydrophobicContact CG-CG 4.27Å; R359-L361 HydrophobicContact CG-CD2 4.35Å; R359-L361 PolarHBondContact O-N 3.38Å
362Y97.1Very high76.9Confident11 Ų1162.4 Ų62.44%0.04332%0.321CS..EExtended strand (participates in β ladder)trans-98.6134.4174.4-58-79.6000110.5H260 L286 L308 Q311 I334 F335 I336 V360H260-Y362 PolarHBondContact ND1-O 2.98Å; L286-Y362 HydrophobicContact CD1-CE1 4.27Å; L308-Y362 HydrophobicContact CB-CD2 4.26Å; L308-Y362 HydrophobicContact CB-CE2 3.93Å; L308-Y362 HydrophobicContact CD1-CD1 3.58Å; L308-Y362 HydrophobicContact CD1-CD2 4.11Å; L308-Y362 HydrophobicContact CD1-CE1 3.84Å; L308-Y362 HydrophobicContact CD1-CE2 4.34Å; L308-Y362 HydrophobicContact CD1-CG 3.72Å; Q311-Y362 HydrophobicContact CB-CD2 4.16Å; Q311-Y362 HydrophobicContact CG-CD2 4.35Å; I334-Y362 HydrophobicContact CG2-CD1 4.18Å; F335-Y362 CarbonylContact O-C 3.57Å; F335-Y362 WeakPolarHBondContact O-CA 3.42Å; I336-Y362 HydrophobicContact CD1-CE1 4.05Å; I336-Y362 HydrophobicContact CG1-CD1 3.82Å; I336-Y362 HydrophobicContact CG1-CE1 3.82Å; V360-Y362 HydrophobicContact CG1-CE1 4.05Å; V360-Y362 HydrophobicContact CG1-CE2 3.9Å
363K97.9Very high79.5Confident16 Ų1657.4 Ų57.47%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-133.3131.8-177-56.4-165176-167.40112P259 V262 E279 I334 F335 C337P259-K363 WeakPolarHBondContact O-CE 3.31Å; P259-K363 WeakPolarHBondContact O-CG 3.41Å; V262-K363 HydrophobicContact CG2-CB 3.81Å; E279-K363 WeakPolarHBondContact OE1-CD 3.46Å; E279-K363 IonicContact OE1-NZ 2.85Å; E279-K363 PolarHBondContact OE1-NZ 3.01Å; E279-K363 IonicContact OE2-NZ 2.85Å; E279-K363 PolarHBondContact OE2-NZ 3.06Å; I334-K363 CarbonylContact C-O 3.53Å; I334-K363 WeakPolarHBondContact CA-O 3.43Å; F335-K363 PolarHBondContact N-O 2.95Å; F335-K363 PolarHBondContact O-N 2.85Å; C337-K363 VanDerWaalsContact SG-CE 3.57Å
364I98.3Very high81.6Confident0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-76128.4173.9-57.3172.8000109.5H260 V261 V262 V312 L316 I319 H326 I329H260-I364 PolarHBondContact O-N 3.21Å; V261-I364 CarbonylContact C-O 3.58Å; V261-I364 WeakPolarHBondContact CA-O 3.38Å; V262-I364 WeakPolarHBondContact CG2-O 3.42Å; V262-I364 PolarHBondContact N-O 2.96Å; V312-I364 HydrophobicContact CG1-CD1 4.01Å; V312-I364 HydrophobicContact CG1-CG1 3.96Å; L316-I364 HydrophobicContact CD2-CD1 3.9Å; L316-I364 HydrophobicContact CG-CD1 3.87Å; I319-I364 HydrophobicContact CD1-CD1 4.05Å; I319-I364 HydrophobicContact CD1-CG2 4.2Å; H326-I364 WeakPolarHBondContact CD2-CG2 3.4Å; H326-I364 VanDerWaalsContact NE2-CG2 3.3Å; H326-I364 WeakPolarHBondContact NE2-CG2 3.06Å; I329-I364 HydrophobicContact CD1-CD1 4.18Å; I329-I364 HydrophobicContact CD1-CG1 4.38Å; I329-I364 HydrophobicContact CD1-CG2 3.82Å
365G94.9Very high83.9Confident0 Ų053.5 Ų53.50%028%0.28CS..  trans-135.9-173.8173.900000112.7H326 N333H326-G365 PolarHBondContact NE2-O 3.14Å; N333-G365 PolarHBondContact O-N 3.5Å
366D91.7Very high86.2Confident33 Ų3346 Ų4618%0.17626%0.256CS..  trans56.372.2-170.7-157.915.6000114K230 G368K230-D366 IonicContact NZ-OD1 3.08Å; K230-D366 PolarHBondContact NZ-OD1 2.94Å; D366-G368 PolarHBondContact O-N 3.22Å; D366-G368 VanDerWaalsContact O-N 3.14Å
367L91.6Very high88.4Confident0 Ų049.6 Ų49.60%025%0.253CS..G310 helixtrans-80.115.6-174.9-55.5-169000114.3E248 A251 H252 L255 H369 V370E248-L367 HydrophobicContact CG-CB 4.33Å; A251-L367 HydrophobicContact CB-CB 3.96Å; A251-L367 HydrophobicContact CB-CD1 3.98Å; H252-L367 VanDerWaalsContact CE1-CD1 3.44Å; H252-L367 WeakPolarHBondContact CE1-CD1 3.37Å; H252-L367 WeakPolarHBondContact ND1-CD1 3.34Å; L255-L367 HydrophobicContact CD1-CD1 3.76Å; L367-H369 VanDerWaalsContact C-N 3.3Å; L367-H369 PolarHBondContact O-N 3.46Å; L367-V370 HydrophobicContact CB-CB 4.48Å; L367-V370 HydrophobicContact CB-CG2 3.75Å; L367-V370 HydrophobicContact CD2-CG2 4.02Å; L367-V370 HydrophobicContact CG-CG2 4.36Å; L367-V370 WeakPolarHBondContact O-CB 3.23Å; L367-V370 WeakPolarHBondContact O-CG2 3.39Å; L367-V370 PolarHBondContact O-N 3.2Å; L367-V370 VanDerWaalsContact O-N 3.08Å
368G88.9Confident90.2Very high6 Ų647.6 Ų47.66%0.06224%0.238CC..G310 helixtrans-60.9-33.3-175.300000114.4L244 D366L244-G368 WeakPolarHBondContact CD2-O 3.26Å; D366-G368 PolarHBondContact O-N 3.22Å; D366-G368 VanDerWaalsContact O-N 3.14Å
369H91.3Very high91.6Very high20 Ų2049.1 Ų49.19%0.09324%0.238CC..G310 helixtrans-86.4-1177.7-72.4-98.2000114H326 L327 D328 L367 T371 E379 E380H326-H369 CarbonylContact O-C 3.57Å; H326-H369 WeakPolarHBondContact O-CB 3.19Å; L327-H369 HydrophobicContact CB-CB 4.4Å; D328-H369 HydrophobicContact CB-CB 3.98Å; L367-H369 VanDerWaalsContact C-N 3.3Å; L367-H369 PolarHBondContact O-N 3.46Å; H369-T371 PolarHBondContact O-N 2.85Å; H369-E379 PolarHBondContact ND1-O 2.71Å; H369-E379 VanDerWaalsContact ND1-O 3.08Å; H369-E380 PolarHBondContact CE1-O 3.09Å
370V94.3Very high92Very high8 Ų847.2 Ų47.25%0.04824%0.235CC..  trans-62.2133.1-176.5171.30000111.4A251 L324 V325 L367A251-V370 HydrophobicContact CB-CB 3.78Å; A251-V370 HydrophobicContact CB-CG1 3.66Å; A251-V370 HydrophobicContact CB-CG2 4.21Å; L324-V370 HydrophobicContact CB-CG1 4.09Å; L324-V370 HydrophobicContact CD1-CG1 4.17Å; L324-V370 HydrophobicContact CD2-CG1 4.25Å; L324-V370 HydrophobicContact CG-CG1 4.41Å; V325-V370 VanDerWaalsContact O-CA 3.27Å; V325-V370 WeakPolarHBondContact O-CA 3.43Å; L367-V370 HydrophobicContact CB-CB 4.48Å; L367-V370 HydrophobicContact CB-CG2 3.75Å; L367-V370 HydrophobicContact CD2-CG2 4.02Å; L367-V370 HydrophobicContact CG-CG2 4.36Å; L367-V370 WeakPolarHBondContact O-CB 3.23Å; L367-V370 WeakPolarHBondContact O-CG2 3.39Å; L367-V370 PolarHBondContact O-N 3.2Å; L367-V370 VanDerWaalsContact O-N 3.08Å
371T93.8Very high91.9Very high12 Ų1245.5 Ų45.57%0.07423%0.228CC..EExtended strand (participates in β ladder)trans-141.4162.3176.8-161.40000112.1L324 V325 L327 H369 P376 R377 L398L324-T371 WeakPolarHBondContact CA-O 3.37Å; V325-T371 HydrophobicContact CG2-CG2 3.73Å; V325-T371 WeakPolarHBondContact CG2-O 3.37Å; V325-T371 PolarHBondContact N-O 3.24Å; V325-T371 PolarHBondContact O-N 3.21Å; L327-T371 HydrophobicContact CD1-CG2 3.68Å; H369-T371 PolarHBondContact O-N 2.85Å; T371-P376 HydrophobicContact CG2-CB 4.34Å; T371-R377 PolarHBondContact OG1-N 3.05Å; T371-L398 HydrophobicContact CG2-CD1 4.46Å
372S94.3Very high91.9Very high39 Ų3946.5 Ų46.527%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-78137.8175.1-178.50000111.1G323 S374 R375 P376G323-S372 WeakPolarHBondContact O-CA 3.34Å; S372-S374 VanDerWaalsContact C-N 3.29Å; S372-S374 PolarHBondContact O-N 3.21Å; S372-S374 PolarHBondContact OG-N 2.89Å; S372-S374 PolarHBondContact OG-OG 3.06Å; S372-R375 CarbonylContact O-C 3.55Å; S372-P376 WeakPolarHBondContact O-CA 3.46Å
373V94.1Very high91.9Very high48 Ų4848.4 Ų48.429%0.29125%0.248SC..SBendtrans-64.2-33.2173.9178.40000111.9G323 V325 P399G323-V373 PolarHBondContact O-N 3.15Å; V325-V373 HydrophobicContact CG1-CG2 3.61Å; V325-V373 HydrophobicContact CG2-CG2 4.48Å; V373-P399 HydrophobicContact CG2-CG 3.97Å
374S92.4Very high91.9Very high99 Ų9952.7 Ų52.769%0.69226%0.264SS*.SBendtrans-81.5-25-173.964.90000113.9S372S372-S374 VanDerWaalsContact C-N 3.29Å; S372-S374 PolarHBondContact O-N 3.21Å; S372-S374 PolarHBondContact OG-N 2.89Å; S372-S374 PolarHBondContact OG-OG 3.06Å
375R90.6Very high91.9Very high211 Ų21153.2 Ų53.280%0.79627%0.266SS*.SBendtrans-142.466.7179.3-59.7-173.676.1156.43.4109.8S372S372-R375 CarbonylContact O-C 3.55Å
376P89.4Confident92Very high44 Ų4453.9 Ų53.929%0.28627%0.269SS..  trans-68.7134.6-168.628.4-35.4000111.9T371 S372 V378 Y395 L398T371-P376 HydrophobicContact CG2-CB 4.34Å; S372-P376 WeakPolarHBondContact O-CA 3.46Å; P376-V378 HydrophobicContact CB-CG2 4.06Å; P376-Y395 HydrophobicContact CG-CD2 4.28Å; P376-Y395 HydrophobicContact CG-CG 4.46Å; P376-L398 HydrophobicContact CB-CD1 3.57Å; P376-L398 HydrophobicContact CG-CD1 4.26Å
377R87.6Confident92.3Very high179 Ų17952.4 Ų52.468%0.67526%0.262SS*.  trans-119.870.8168.6-68-172.9-179.2-173.61.6108K247 T371K247-R377 PolarHBondContact NZ-O 3.15Å; T371-R377 PolarHBondContact OG1-N 3.05Å
378V87.4Confident92.5Very high28 Ų2855.8 Ų55.817%0.1728%0.277CS..  trans-66.7132.2-174.7-178.90000110.1L327 P376 V390 Y395 L398L327-V378 HydrophobicContact CD1-CB 4.5Å; L327-V378 HydrophobicContact CD1-CG1 4.09Å; L327-V378 HydrophobicContact CD1-CG2 4.08Å; P376-V378 HydrophobicContact CB-CG2 4.06Å; V378-V390 HydrophobicContact CG1-CG1 4.02Å; V378-Y395 HydrophobicContact CB-CE1 3.98Å; V378-Y395 HydrophobicContact CB-CE2 4.42Å; V378-Y395 HydrophobicContact CG1-CE1 4.07Å; V378-Y395 HydrophobicContact CG2-CD1 3.78Å; V378-Y395 HydrophobicContact CG2-CD2 4.2Å; V378-Y395 HydrophobicContact CG2-CE1 3.69Å; V378-Y395 HydrophobicContact CG2-CE2 4.14Å; V378-Y395 HydrophobicContact CG2-CG 4.03Å; V378-L398 HydrophobicContact CG2-CD1 4.11Å; V378-L398 HydrophobicContact CG2-CD2 4.21Å
379E86.4Confident92.9Very high74 Ų7456.2 Ų56.235%0.34628%0.277SS..  trans-117.3126.4160.5-70.5176.8-129.600106K247 H369 G381K247-E379 IonicContact NZ-OE1 3.56Å; K247-E379 PolarHBondContact NZ-OE1 3.05Å; H369-E379 PolarHBondContact ND1-O 2.71Å; H369-E379 VanDerWaalsContact ND1-O 3.08Å; E379-G381 PolarHBondContact O-N 3.13Å
380E86.6Confident93.2Very high101 Ų10155.6 Ų55.647%0.47227%0.274SS..  trans-56.8125-177.1-68.2172.7-142.800110.3H369 L386H369-E380 PolarHBondContact CE1-O 3.09Å; E380-L386 HydrophobicContact CG-CD2 4.47Å
381G86.9Confident93.2Very high15 Ų1558 Ų5816%0.15529%0.287CS..  trans-77.8-162.1172.700000112.2E379 S383E379-G381 PolarHBondContact O-N 3.13Å; G381-S383 PolarHBondContact O-N 3.09Å; G381-S383 VanDerWaalsContact O-N 3.17Å
382D94.7Very high93.2Very high32 Ų3263.5 Ų63.517%0.17131%0.311CS..  trans-58.8118.8179.7-168.7-45.3000112.5D328 K330 R384 F385 L386D328-D382 PolarHBondContact OD1-N 3.43Å; K330-D382 HydrophobicContact CD-CB 3.82Å; D382-R384 PolarHBondContact O-N 2.68Å; D382-R384 VanDerWaalsContact OD1-CB 3.27Å; D382-R384 WeakPolarHBondContact OD1-CB 3.38Å; D382-R384 WeakPolarHBondContact OD1-CG 3.41Å; D382-R384 IonicContact OD1-CZ 3.78Å; D382-R384 PolarHBondContact OD1-N 3.06Å; D382-R384 IonicContact OD1-NE 3.62Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.62Å; D382-R384 IonicContact OD2-CZ 3.68Å; D382-R384 IonicContact OD2-NE 2.77Å; D382-R384 PolarHBondContact OD2-NE 3.14Å; D382-R384 IonicContact OD2-NH2 3.65Å; D382-R384 PolarHBondContact OD2-NH2 2.82Å; D382-F385 HydrophobicContact CB-CD2 3.96Å; D382-F385 PolarHBondContact O-N 2.81Å; D382-L386 PolarHBondContact O-N 3.47Å
383S96.8Very high93.2Very high51 Ų5168 Ų6836%0.35733%0.328SS..THydrogen-bonded Turntrans-58-25.4-17479.40000113.3G381 F385 P421 W426 R430G381-S383 PolarHBondContact O-N 3.09Å; G381-S383 VanDerWaalsContact O-N 3.17Å; S383-F385 VanDerWaalsContact C-N 3.28Å; S383-F385 PolarHBondContact O-N 3.16Å; S383-P421 PolarHBondContact OG-O 3.4Å; S383-W426 PolarHBondContact O-NE1 3.12Å; S383-R430 PolarHBondContact O-NH2 3.29Å
384R97.8Very high93.3Very high106 Ų10669.5 Ų69.540%0.433%0.334SS..THydrogen-bonded Turntrans-66.9-29.7177.7-62.7174.2-68175.70112.5D382 L419 P421 R430D382-R384 PolarHBondContact O-N 2.68Å; D382-R384 VanDerWaalsContact OD1-CB 3.27Å; D382-R384 WeakPolarHBondContact OD1-CB 3.38Å; D382-R384 WeakPolarHBondContact OD1-CG 3.41Å; D382-R384 IonicContact OD1-CZ 3.78Å; D382-R384 PolarHBondContact OD1-N 3.06Å; D382-R384 IonicContact OD1-NE 3.62Å; D382-R384 PolarHBondContact OD1-NE 3.37Å; D382-R384 IonicContact OD1-NH2 3.62Å; D382-R384 IonicContact OD2-CZ 3.68Å; D382-R384 IonicContact OD2-NE 2.77Å; D382-R384 PolarHBondContact OD2-NE 3.14Å; D382-R384 IonicContact OD2-NH2 3.65Å; D382-R384 PolarHBondContact OD2-NH2 2.82Å; R384-L419 HydrophobicContact CB-CB 3.99Å; R384-L419 WeakPolarHBondContact CD-O 3.43Å; R384-L419 HydrophobicContact CG-CB 4.5Å; R384-P421 HydrophobicContact CG-CB 4.23Å; R384-R430 VanDerWaalsContact C-NH2 3.31Å; R384-R430 PolarHBondContact O-NH2 2.67Å
385F98.3Very high93.5Very high11 Ų1167.9 Ų67.95%0.04831%0.314CS..THydrogen-bonded Turntrans-103.7-16.3-179.6-59.7-90.6000112.9K330 P331 D382 S383 A387 F404 A405 L408 L412 L419K330-F385 HydrophobicContact CB-CD1 4.1Å; K330-F385 HydrophobicContact CB-CD2 3.67Å; K330-F385 HydrophobicContact CB-CE1 4.03Å; K330-F385 HydrophobicContact CB-CE2 3.59Å; K330-F385 HydrophobicContact CB-CG 3.94Å; K330-F385 HydrophobicContact CB-CZ 3.78Å; K330-F385 HydrophobicContact CD-CD2 4.45Å; P331-F385 HydrophobicContact CG-CE1 4.46Å; P331-F385 HydrophobicContact CG-CZ 4.26Å; D382-F385 HydrophobicContact CB-CD2 3.96Å; D382-F385 PolarHBondContact O-N 2.81Å; S383-F385 VanDerWaalsContact C-N 3.28Å; S383-F385 PolarHBondContact O-N 3.16Å; F385-A387 PolarHBondContact O-N 3.47Å; F385-F404 WeakPolarHBondContact O-CD1 3.5Å; F385-A405 HydrophobicContact CB-CB 4.13Å; F385-L408 HydrophobicContact CD1-CB 4.01Å; F385-L408 HydrophobicContact CE1-CB 4.44Å; F385-L412 HydrophobicContact CE1-CD1 3.81Å; F385-L412 HydrophobicContact CZ-CD1 3.51Å; F385-L419 HydrophobicContact CD1-CD1 4.12Å; F385-L419 HydrophobicContact CE1-CD1 3.72Å; F385-L419 HydrophobicContact CZ-CD1 3.96Å
386L97.8Very high93.7Very high14 Ų1461 Ų617%0.07330%0.302CS..  trans-56.9129.4-178.5-170.165.9000112.6E380 D382 V390 L391 R430E380-L386 HydrophobicContact CG-CD2 4.47Å; D382-L386 PolarHBondContact O-N 3.47Å; L386-V390 HydrophobicContact CD1-CB 3.87Å; L386-V390 HydrophobicContact CD1-CG1 3.74Å; L386-L391 HydrophobicContact CD2-CB 4.14Å; L386-L391 HydrophobicContact CD2-CD1 4.26Å; L386-R430 PolarHBondContact O-NE 3.23Å; L386-R430 PolarHBondContact O-NH2 2.86Å
387A97.4Very high94Very high2 Ų262.5 Ų62.52%0.01731%0.305CS..  trans-79.3150.8176.400000111.8F385 E389 V390 L391 A401 F404F385-A387 PolarHBondContact O-N 3.47Å; A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 WeakPolarHBondContact CB-OE1 3.43Å; A387-E389 WeakPolarHBondContact CB-OE2 3.46Å; A387-E389 PolarHBondContact O-N 2.87Å; A387-V390 HydrophobicContact CB-CG2 4.42Å; A387-V390 PolarHBondContact O-N 3.19Å; A387-L391 PolarHBondContact O-N 2.81Å; A387-A401 HydrophobicContact CB-CB 4.13Å; A387-F404 HydrophobicContact CB-CB 4.08Å; A387-F404 HydrophobicContact CB-CD1 3.57Å; A387-F404 HydrophobicContact CB-CE1 4.18Å; A387-F404 HydrophobicContact CB-CG 3.84Å
388K96.3Very high94.5Very high71 Ų7154 Ų5431%0.30927%0.273SS..Hα-helixtrans-60.9-41.2-172.5-165.3171.2179.4176.50112V390 L391 H392 R430K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.37Å; K388-L391 PolarHBondContact O-N 2.82Å; K388-H392 PolarHBondContact O-N 2.92Å; K388-H392 PolarHBondContact O-ND1 3.4Å; K388-R430 HydrophobicContact CB-CB 4.02Å; K388-R430 HydrophobicContact CB-CG 3.9Å; K388-R430 HydrophobicContact CD-CB 4.21Å
389E96.7Very high95Very high16 Ų1654.3 Ų54.38%0.07528%0.276CS..Hα-helixtrans-65.3-34-177.669.4-75.7177.600113.1A387 H392 E393 N394 P457 R460A387-E389 VanDerWaalsContact C-N 3.33Å; A387-E389 WeakPolarHBondContact CB-OE1 3.43Å; A387-E389 WeakPolarHBondContact CB-OE2 3.46Å; A387-E389 PolarHBondContact O-N 2.87Å; E389-H392 CarbonylContact O-C 3.56Å; E389-H392 PolarHBondContact O-N 3.32Å; E389-E393 PolarHBondContact O-N 3.42Å; E389-N394 HydrophobicContact CB-CB 4.29Å; E389-N394 WeakPolarHBondContact O-CB 3.28Å; E389-N394 PolarHBondContact O-N 3.4Å; E389-P457 HydrophobicContact CG-CB 4.35Å; E389-P457 HydrophobicContact CG-CG 4.11Å; E389-R460 IonicContact OE1-CZ 2.69Å; E389-R460 IonicContact OE1-NH1 2.84Å; E389-R460 PolarHBondContact OE1-NH1 3.08Å; E389-R460 IonicContact OE1-NH2 3.56Å; E389-R460 IonicContact OE2-CZ 3.61Å; E389-R460 IonicContact OE2-NH1 2.7Å; E389-R460 PolarHBondContact OE2-NH1 3.5Å; E389-R460 IonicContact OE2-NH2 3.74Å; E389-R460 PolarHBondContact OE2-NH2 2.78Å
390V96.6Very high95.6Very high6 Ų652.4 Ų52.44%0.03627%0.266CS..Hα-helixtrans-68.6-40.3177.9-1750000110.8V378 L386 A387 K388 H392 E393 Y395 L398 A401V378-V390 HydrophobicContact CG1-CG1 4.02Å; L386-V390 HydrophobicContact CD1-CB 3.87Å; L386-V390 HydrophobicContact CD1-CG1 3.74Å; A387-V390 HydrophobicContact CB-CG2 4.42Å; A387-V390 PolarHBondContact O-N 3.19Å; K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.37Å; V390-H392 PolarHBondContact O-N 3.19Å; V390-E393 PolarHBondContact O-N 3.48Å; V390-Y395 HydrophobicContact CG1-CE1 4.18Å; V390-L398 HydrophobicContact CG2-CD2 4.25Å; V390-A401 HydrophobicContact CG2-CB 3.53Å
391L94.1Very high96.2Very high60 Ų6048 Ų4831%0.31425%0.247SC..Hα-helixtrans-63.3-26174.3-178.464.6000113.1L386 A387 K388 E393 W426L386-L391 HydrophobicContact CD2-CB 4.14Å; L386-L391 HydrophobicContact CD2-CD1 4.26Å; A387-L391 PolarHBondContact O-N 2.81Å; K388-L391 PolarHBondContact O-N 2.82Å; L391-E393 VanDerWaalsContact C-N 3.28Å; L391-W426 HydrophobicContact CD2-CH2 3.61Å; L391-W426 HydrophobicContact CD2-CZ2 4.11Å; L391-W426 HydrophobicContact CD2-CZ3 4.33Å
392H94.3Very high96.7Very high126 Ų12647.3 Ų47.358%0.58324%0.239SC*.THydrogen-bonded Turntrans-9217.2174.7-65.381.1000112.7K388 E389 V390 N394K388-H392 PolarHBondContact O-N 2.92Å; K388-H392 PolarHBondContact O-ND1 3.4Å; E389-H392 CarbonylContact O-C 3.56Å; E389-H392 PolarHBondContact O-N 3.32Å; V390-H392 PolarHBondContact O-N 3.19Å; H392-N394 PolarHBondContact O-N 2.91Å; H392-N394 VanDerWaalsContact O-N 3.09Å
393E95.1Very high96.9Very high135 Ų13545.8 Ų45.863%0.63123%0.231SC*.THydrogen-bonded Turntrans5818.9-178.5-52.7-176150.300114.3E389 V390 L391 Y395E389-E393 PolarHBondContact O-N 3.42Å; V390-E393 PolarHBondContact O-N 3.48Å; L391-E393 VanDerWaalsContact C-N 3.28Å; E393-Y395 HydrophobicContact CB-CE2 4.32Å; E393-Y395 PolarHBondContact O-N 3.05Å
394N95.3Very high97Very high78 Ų7843.4 Ų43.442%0.41722%0.215SC..  trans-87.196.3177.4-179.23.4000110.8E389 H392 A396E389-N394 HydrophobicContact CB-CB 4.29Å; E389-N394 WeakPolarHBondContact O-CB 3.28Å; E389-N394 PolarHBondContact O-N 3.4Å; H392-N394 PolarHBondContact O-N 2.91Å; H392-N394 VanDerWaalsContact O-N 3.09Å; N394-A396 WeakPolarHBondContact OD1-CB 3.13Å; N394-A396 PolarHBondContact OD1-N 2.79Å
395Y96.3Very high97.1Very high66 Ų6638.6 Ų38.626%0.25920%0.198SC..  trans-95.812.8-176.1-50.4-39000114.4P376 V378 V390 E393 H397 L398P376-Y395 HydrophobicContact CG-CD2 4.28Å; P376-Y395 HydrophobicContact CG-CG 4.46Å; V378-Y395 HydrophobicContact CB-CE1 3.98Å; V378-Y395 HydrophobicContact CB-CE2 4.42Å; V378-Y395 HydrophobicContact CG1-CE1 4.07Å; V378-Y395 HydrophobicContact CG2-CD1 3.78Å; V378-Y395 HydrophobicContact CG2-CD2 4.2Å; V378-Y395 HydrophobicContact CG2-CE1 3.69Å; V378-Y395 HydrophobicContact CG2-CE2 4.14Å; V378-Y395 HydrophobicContact CG2-CG 4.03Å; V390-Y395 HydrophobicContact CG1-CE1 4.18Å; E393-Y395 HydrophobicContact CB-CE2 4.32Å; E393-Y395 PolarHBondContact O-N 3.05Å; Y395-H397 PolarHBondContact O-N 3.31Å; Y395-L398 HydrophobicContact CD1-CD2 3.77Å; Y395-L398 HydrophobicContact CG-CD2 4.29Å
396A95.6Very high97.1Very high67 Ų6738.1 Ų38.155%0.55420%0.196SC*.THydrogen-bonded Turntrans-62.2-28.7-178.200000113.7N394N394-A396 WeakPolarHBondContact OD1-CB 3.13Å; N394-A396 PolarHBondContact OD1-N 2.79Å
397H96.8Very high97.1Very high75 Ų7537.4 Ų37.435%0.34719%0.192SC..THydrogen-bonded Turntrans-130.936.2-172.5-61-48.2000113.4Y395 P399 K400 P457Y395-H397 PolarHBondContact O-N 3.31Å; H397-P399 VanDerWaalsContact C-N 3.31Å; H397-K400 HydrophobicContact CB-CB 4.4Å; H397-K400 HydrophobicContact CB-CG 4.12Å; H397-K400 WeakPolarHBondContact O-CA 3.44Å; H397-K400 VanDerWaalsContact O-CB 3.26Å; H397-K400 WeakPolarHBondContact O-CB 3.38Å; H397-K400 PolarHBondContact O-N 3.18Å; H397-P457 HydrophobicContact CB-CB 3.9Å; H397-P457 HydrophobicContact CB-CG 4.15Å
398L97.6Very high97.2Very high1 Ų137.3 Ų37.31%0.00519%0.191CC..THydrogen-bonded Turntrans-45.3-39.4-177.9-71.8176.7000116.1V325 L327 T371 P376 V378 V390 Y395 K400 A401V325-L398 HydrophobicContact CB-CB 4.42Å; V325-L398 HydrophobicContact CG1-CB 3.95Å; V325-L398 HydrophobicContact CG2-CB 4.05Å; V325-L398 HydrophobicContact CG2-CD1 4.14Å; L327-L398 HydrophobicContact CD2-CB 4.47Å; L327-L398 HydrophobicContact CD2-CD2 4.06Å; T371-L398 HydrophobicContact CG2-CD1 4.46Å; P376-L398 HydrophobicContact CB-CD1 3.57Å; P376-L398 HydrophobicContact CG-CD1 4.26Å; V378-L398 HydrophobicContact CG2-CD1 4.11Å; V378-L398 HydrophobicContact CG2-CD2 4.21Å; V390-L398 HydrophobicContact CG2-CD2 4.25Å; Y395-L398 HydrophobicContact CD1-CD2 3.77Å; Y395-L398 HydrophobicContact CG-CD2 4.29Å; L398-K400 PolarHBondContact O-N 3.48Å; L398-K400 VanDerWaalsContact O-N 3.09Å; L398-A401 VanDerWaalsContact O-CB 3.31Å; L398-A401 WeakPolarHBondContact O-CB 3.09Å; L398-A401 PolarHBondContact O-N 2.66Å
399P98.4Very high97.3Very high34 Ų3434 Ų3422%0.22118%0.177CC..Hα-helixtrans-57.4-26.1175.8-27.336.3000114.2H320 V325 V373 H397 M403H320-P399 PolarHBondContact CE1-O 2.78Å; H320-P399 VanDerWaalsContact CE1-O 3.24Å; V325-P399 HydrophobicContact CG1-CB 4.15Å; V325-P399 HydrophobicContact CG1-CG 3.69Å; V373-P399 HydrophobicContact CG2-CG 3.97Å; H397-P399 VanDerWaalsContact C-N 3.31Å; P399-M403 WeakPolarHBondContact O-CG 3.44Å
400K98.6Very high97.4Very high34 Ų3433.2 Ų33.215%0.14817%0.173CC..Hα-helixtrans-80.9-15.3178.5-53.5-68.4-157.6790112.7H397 L398 F404 P457 V458 R460H397-K400 HydrophobicContact CB-CB 4.4Å; H397-K400 HydrophobicContact CB-CG 4.12Å; H397-K400 WeakPolarHBondContact O-CA 3.44Å; H397-K400 VanDerWaalsContact O-CB 3.26Å; H397-K400 WeakPolarHBondContact O-CB 3.38Å; H397-K400 PolarHBondContact O-N 3.18Å; L398-K400 PolarHBondContact O-N 3.48Å; L398-K400 VanDerWaalsContact O-N 3.09Å; K400-F404 PolarHBondContact O-N 3.05Å; K400-P457 HydrophobicContact CB-CB 3.81Å; K400-P457 WeakPolarHBondContact CB-O 3.16Å; K400-P457 WeakPolarHBondContact CD-O 3.47Å; K400-P457 HydrophobicContact CG-CB 4.41Å; K400-P457 WeakPolarHBondContact CG-O 3.49Å; K400-P457 PolarHBondContact NZ-O 3.17Å; K400-V458 PolarHBondContact NZ-O 3.34Å; K400-R460 HydrophobicContact CD-CB 4.34Å; K400-R460 WeakPolarHBondContact CD-O 3.3Å; K400-R460 WeakPolarHBondContact CE-O 3.29Å; K400-R460 PolarHBondContact NZ-O 2.85Å; K400-R460 WeakPolarHBondContact O-CD 3.44Å; K400-R460 PolarHBondContact O-NH1 2.94Å
401A98.4Very high97.4Very high7 Ų732.9 Ų32.96%0.05817%0.171CC..Hα-helixtrans-73.1-39.717000000111.1L327 A387 V390 L398 M403 F404 A405L327-A401 HydrophobicContact CD2-CB 4.47Å; A387-A401 HydrophobicContact CB-CB 4.13Å; V390-A401 HydrophobicContact CG2-CB 3.53Å; L398-A401 VanDerWaalsContact O-CB 3.31Å; L398-A401 WeakPolarHBondContact O-CB 3.09Å; L398-A401 PolarHBondContact O-N 2.66Å; A401-M403 VanDerWaalsContact C-N 3.26Å; A401-M403 PolarHBondContact O-N 3.38Å; A401-F404 PolarHBondContact O-N 2.96Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.93Å
402D98.6Very high97.6Very high1 Ų131.5 Ų31.51%0.00516%0.164CC..Hα-helixtrans-59.6-38.4171.8-69.5-23.5000111.5L316 H320 H326 L327 I329 L406L316-D402 HydrophobicContact CD1-CB 3.97Å; L316-D402 HydrophobicContact CD2-CB 3.82Å; H320-D402 IonicContact CD2-OD2 3.9Å; H320-D402 IonicContact CE1-OD2 2.63Å; H320-D402 IonicContact NE2-OD2 3.5Å; H320-D402 PolarHBondContact NE2-OD2 2.68Å; H326-D402 PolarHBondContact N-OD1 2.99Å; H326-D402 PolarHBondContact N-OD2 3.37Å; L327-D402 WeakPolarHBondContact CA-OD1 3.16Å; L327-D402 PolarHBondContact N-OD1 3Å; I329-D402 HydrophobicContact CG1-CB 4.39Å; D402-L406 WeakPolarHBondContact O-CB 3.42Å; D402-L406 PolarHBondContact O-N 3.42Å
403M98.8Very high97.7Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-65.6-41.5177.2-54.4-50-6100112V313 L316 P399 A401 L406 G407 L452 P461 A463 L466V313-M403 HydrophobicContact CG2-CE 4.29Å; L316-M403 HydrophobicContact CD1-SD 3.95Å; P399-M403 WeakPolarHBondContact O-CG 3.44Å; A401-M403 VanDerWaalsContact C-N 3.26Å; A401-M403 PolarHBondContact O-N 3.38Å; M403-L406 PolarHBondContact O-N 3.09Å; M403-G407 PolarHBondContact O-N 2.91Å; M403-L452 HydrophobicContact CB-CD2 3.88Å; M403-L452 HydrophobicContact CE-CD2 3.95Å; M403-P461 WeakPolarHBondContact CG-O 3.39Å; M403-A463 HydrophobicContact CE-CB 4.22Å; M403-A463 HydrophobicContact SD-CB 3.82Å; M403-L466 HydrophobicContact CE-CB 4.36Å; M403-L466 HydrophobicContact CE-CD2 3.48Å; M403-L466 VanDerWaalsContact CE-CD2 3.48Å
404F98.7Very high97.8Very high1 Ų119.2 Ų19.20%0.00411%0.107CC..Hα-helixtrans-63.4-48.4175.4177.4-88.5000111.9F385 A387 K400 A401 L406 G407 L408 R430 L452 L453F385-F404 WeakPolarHBondContact O-CD1 3.5Å; A387-F404 HydrophobicContact CB-CB 4.08Å; A387-F404 HydrophobicContact CB-CD1 3.57Å; A387-F404 HydrophobicContact CB-CE1 4.18Å; A387-F404 HydrophobicContact CB-CG 3.84Å; K400-F404 PolarHBondContact O-N 3.05Å; A401-F404 PolarHBondContact O-N 2.96Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.11Å; F404-G407 PolarHBondContact O-N 3.27Å; F404-G407 VanDerWaalsContact O-N 3.11Å; F404-L408 HydrophobicContact CD1-CD1 4.01Å; F404-L408 HydrophobicContact CE1-CD1 3.33Å; F404-L408 HydrophobicContact CE1-CG 4.17Å; F404-L408 HydrophobicContact CZ-CD1 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.38Å; F404-L408 PolarHBondContact O-N 3.24Å; F404-L408 VanDerWaalsContact O-N 3.09Å; F404-R430 HydrophobicContact CE1-CG 4.33Å; F404-R430 HydrophobicContact CE2-CG 4.36Å; F404-R430 HydrophobicContact CZ-CG 3.68Å; F404-L452 WeakPolarHBondContact CA-O 3.43Å; F404-L453 HydrophobicContact CD2-CG 4.24Å; F404-L453 HydrophobicContact CE2-CB 4.3Å; F404-L453 HydrophobicContact CE2-CG 3.93Å
405A98.7Very high97.8Very high6 Ų616.6 Ų16.65%0.0510%0.099CC..Hα-helixtrans-60.9-35.1176.800000112.2I329 F385 A401 T409I329-A405 HydrophobicContact CB-CB 3.97Å; I329-A405 HydrophobicContact CG2-CB 4.42Å; F385-A405 HydrophobicContact CB-CB 4.13Å; A401-A405 WeakPolarHBondContact O-CB 3.25Å; A401-A405 PolarHBondContact O-N 2.93Å; A405-T409 WeakPolarHBondContact O-CB 3.42Å; A405-T409 PolarHBondContact O-N 3.24Å; A405-T409 PolarHBondContact O-OG1 3.48Å
406L98.8Very high97.7Very high0 Ų013.9 Ų13.90%09%0.09CC..Hα-helixtrans-68.8-39.5172.7-17653000113L309 V312 V313 L316 I329 D402 M403 F404 L408 T409 V410L309-L406 HydrophobicContact CD1-CD1 4.4Å; L309-L406 HydrophobicContact CD1-CD2 3.71Å; L309-L406 HydrophobicContact CD1-CG 3.73Å; V312-L406 HydrophobicContact CB-CD1 3.99Å; V312-L406 HydrophobicContact CB-CD2 4.21Å; V312-L406 HydrophobicContact CG1-CD1 3.59Å; V312-L406 HydrophobicContact CG1-CD2 3.86Å; V312-L406 HydrophobicContact CG1-CG 4.38Å; V313-L406 HydrophobicContact CG2-CD2 3.54Å; L316-L406 HydrophobicContact CD1-CB 4.4Å; L316-L406 HydrophobicContact CD1-CD2 3.76Å; I329-L406 HydrophobicContact CG2-CB 4.16Å; I329-L406 HydrophobicContact CG2-CD1 4.39Å; D402-L406 WeakPolarHBondContact O-CB 3.42Å; D402-L406 PolarHBondContact O-N 3.42Å; M403-L406 PolarHBondContact O-N 3.09Å; F404-L406 VanDerWaalsContact C-N 3.26Å; F404-L406 PolarHBondContact O-N 3.11Å; L406-L408 PolarHBondContact O-N 2.97Å; L406-T409 HydrophobicContact CD1-CG2 4.41Å; L406-T409 WeakPolarHBondContact O-CB 3.36Å; L406-T409 PolarHBondContact O-N 3.3Å; L406-V410 HydrophobicContact CD1-CG2 4.24Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 3.23Å
407G98.5Very high97.6Very high0 Ų014.1 Ų14.10%09%0.092CC..Hα-helixtrans-57.4-47.617300000112M403 F404 T409 V410 L411M403-G407 PolarHBondContact O-N 2.91Å; F404-G407 PolarHBondContact O-N 3.27Å; F404-G407 VanDerWaalsContact O-N 3.11Å; G407-T409 VanDerWaalsContact C-N 3.34Å; G407-T409 PolarHBondContact O-N 2.85Å; G407-V410 PolarHBondContact O-N 2.68Å; G407-L411 WeakPolarHBondContact O-CG 3.33Å; G407-L411 PolarHBondContact O-N 2.78Å
408L98.6Very high97.5Very high0 Ų016.4 Ų16.40%011%0.113CC..Hα-helixtrans-63-37.3174.5-72.9177.8000113.3F385 F404 L406 L411 L412 L419 L429 L453F385-L408 HydrophobicContact CD1-CB 4.01Å; F385-L408 HydrophobicContact CE1-CB 4.44Å; F404-L408 HydrophobicContact CD1-CD1 4.01Å; F404-L408 HydrophobicContact CE1-CD1 3.33Å; F404-L408 HydrophobicContact CE1-CG 4.17Å; F404-L408 HydrophobicContact CZ-CD1 3.82Å; F404-L408 HydrophobicContact CZ-CG 4.38Å; F404-L408 PolarHBondContact O-N 3.24Å; F404-L408 VanDerWaalsContact O-N 3.09Å; L406-L408 PolarHBondContact O-N 2.97Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 PolarHBondContact O-N 3.23Å; L408-L412 PolarHBondContact O-N 3.02Å; L408-L419 HydrophobicContact CB-CD1 3.91Å; L408-L419 HydrophobicContact CD1-CD1 4.43Å; L408-L419 HydrophobicContact CD2-CD1 4.3Å; L408-L419 HydrophobicContact CD2-CD2 4.17Å; L408-L419 HydrophobicContact CG-CD1 4.46Å; L408-L429 HydrophobicContact CD2-CB 4.45Å; L408-L429 HydrophobicContact CD2-CD1 4.29Å; L408-L429 HydrophobicContact CD2-CD2 4.11Å; L408-L453 HydrophobicContact CD2-CD2 3.97Å; L408-L453 HydrophobicContact CG-CD1 4.46Å
409T98.6Very high97.4Very high0 Ų016.9 Ų16.90%012%0.116CC..Hα-helixtrans-61.6-43.1174.6-66.10000111.9L286 P331 I334 A405 L406 G407 A413L286-T409 HydrophobicContact CD2-CG2 3.9Å; P331-T409 HydrophobicContact CG-CG2 4.07Å; I334-T409 HydrophobicContact CD1-CG2 3.59Å; A405-T409 WeakPolarHBondContact O-CB 3.42Å; A405-T409 PolarHBondContact O-N 3.24Å; A405-T409 PolarHBondContact O-OG1 3.48Å; L406-T409 HydrophobicContact CD1-CG2 4.41Å; L406-T409 WeakPolarHBondContact O-CB 3.36Å; L406-T409 PolarHBondContact O-N 3.3Å; G407-T409 VanDerWaalsContact C-N 3.34Å; G407-T409 PolarHBondContact O-N 2.85Å; T409-A413 PolarHBondContact O-N 3.29Å
410V98.4Very high97.3Very high0 Ų016.3 Ų16.30%011%0.112CC..Hα-helixtrans-72.6-33.6177.8177.20000111.8L305 L308 L309 L406 G407 A413 A414 F445 L449L305-V410 HydrophobicContact CB-CG1 4.3Å; L305-V410 HydrophobicContact CD2-CG1 4.29Å; L308-V410 HydrophobicContact CD2-CG2 4.38Å; L309-V410 HydrophobicContact CB-CG2 4.11Å; L309-V410 HydrophobicContact CD1-CG2 4.09Å; L406-V410 HydrophobicContact CD1-CG2 4.24Å; L406-V410 WeakPolarHBondContact O-CG2 3.45Å; L406-V410 PolarHBondContact O-N 3.23Å; G407-V410 PolarHBondContact O-N 2.68Å; V410-A413 WeakPolarHBondContact O-CB 3.26Å; V410-A413 PolarHBondContact O-N 2.79Å; V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 3.45Å; V410-F445 HydrophobicContact CG1-CZ 4Å; V410-L449 HydrophobicContact CB-CD2 4.04Å; V410-L449 HydrophobicContact CG1-CD1 4.5Å; V410-L449 HydrophobicContact CG1-CD2 3.8Å
411L97.8Very high97.2Very high0 Ų018 Ų180%013%0.127CC..Hα-helixtrans-63.2-42.5173-73165.6000112.1G407 L408 A414 G415 A416 L434 P435 L437 L449 L453G407-L411 WeakPolarHBondContact O-CG 3.33Å; G407-L411 PolarHBondContact O-N 2.78Å; L408-L411 HydrophobicContact CD2-CD1 4.36Å; L408-L411 PolarHBondContact O-N 3.23Å; L411-A414 WeakPolarHBondContact O-CB 3.37Å; L411-A414 PolarHBondContact O-N 3.36Å; L411-G415 PolarHBondContact O-N 2.73Å; L411-A416 HydrophobicContact CB-CB 4.35Å; L411-A416 WeakPolarHBondContact O-CB 3.49Å; L411-A416 PolarHBondContact O-N 2.92Å; L411-L434 HydrophobicContact CD1-CG 4.15Å; L411-L434 HydrophobicContact CD2-CD2 4.08Å; L411-L434 HydrophobicContact CD2-CG 4.14Å; L411-P435 HydrophobicContact CD2-CG 4.46Å; L411-L437 HydrophobicContact CD2-CD1 4.22Å; L411-L437 HydrophobicContact CD2-CD2 4.22Å; L411-L449 HydrophobicContact CD2-CD1 4.03Å; L411-L453 HydrophobicContact CD1-CD1 4.23Å; L411-L453 HydrophobicContact CD1-CD2 3.63Å
412L97.1Very high97.1Very high30 Ų3023.4 Ų23.416%0.15716%0.155CC..Hα-helixtrans-62-43.3171-83.3177.6000112.1P331 F385 L408 A414 G415 L419P331-L412 HydrophobicContact CG-CD1 4.18Å; F385-L412 HydrophobicContact CE1-CD1 3.81Å; F385-L412 HydrophobicContact CZ-CD1 3.51Å; L408-L412 PolarHBondContact O-N 3.02Å; L412-A414 PolarHBondContact O-N 3.25Å; L412-G415 PolarHBondContact O-N 3.42Å; L412-L419 HydrophobicContact CD1-CD1 3.63Å; L412-L419 HydrophobicContact CD1-CG 3.8Å; L412-L419 HydrophobicContact CD2-CD2 4.48Å; L412-L419 HydrophobicContact CD2-CG 3.94Å; L412-L419 HydrophobicContact CG-CD1 3.91Å; L412-L419 HydrophobicContact CG-CD2 4.36Å; L412-L419 HydrophobicContact CG-CG 3.76Å
413A97.2Very high97Very high3 Ų325.1 Ų25.13%0.02517%0.172CC..Hα-helixtrans-60.2-32.5175.300000112.5I290 L300 L305 L308 T409 V410 G415I290-A413 HydrophobicContact CD1-CB 3.87Å; I290-A413 HydrophobicContact CG1-CB 4.31Å; L300-A413 HydrophobicContact CD1-CB 3.77Å; L305-A413 HydrophobicContact CD2-CB 3.57Å; L308-A413 HydrophobicContact CD2-CB 3.78Å; T409-A413 PolarHBondContact O-N 3.29Å; V410-A413 WeakPolarHBondContact O-CB 3.26Å; V410-A413 PolarHBondContact O-N 2.79Å; A413-G415 PolarHBondContact O-N 3.16Å
414A96.6Very high96.9Very high0 Ų031.5 Ų31.50%020%0.202CC..THydrogen-bonded Turntrans-75.1-1.5174.900000114.4L305 V410 L411 L412 L437 Q439 L441L305-A414 HydrophobicContact CD1-CB 3.62Å; L305-A414 HydrophobicContact CD2-CB 4.27Å; V410-A414 WeakPolarHBondContact O-CB 3.45Å; V410-A414 PolarHBondContact O-N 3.45Å; L411-A414 WeakPolarHBondContact O-CB 3.37Å; L411-A414 PolarHBondContact O-N 3.36Å; L412-A414 PolarHBondContact O-N 3.25Å; A414-L437 HydrophobicContact CB-CD1 4.14Å; A414-L437 HydrophobicContact CB-CD2 4.14Å; A414-Q439 PolarHBondContact O-NE2 3.02Å; A414-L441 HydrophobicContact CB-CD1 4.2Å
415G95.3Very high96.8Very high23 Ų2336.8 Ų36.824%0.23723%0.227CC..THydrogen-bonded Turntrans92.118.9179.600000114.9L411 L412 A413 P438L411-G415 PolarHBondContact O-N 2.73Å; L412-G415 PolarHBondContact O-N 3.42Å; A413-G415 PolarHBondContact O-N 3.16Å; G415-P438 WeakPolarHBondContact O-CD 3.34Å; G415-P438 WeakPolarHBondContact O-CG 3.46Å
416A95.4Very high96.7Very high10 Ų1037 Ų378%0.08323%0.226CC..PPolyproline II helixtrans-56.8151.4168.600000111.4L411 P435 L437L411-A416 HydrophobicContact CB-CB 4.35Å; L411-A416 WeakPolarHBondContact O-CB 3.49Å; L411-A416 PolarHBondContact O-N 2.92Å; A416-P435 HydrophobicContact CB-CB 4.4Å; A416-P435 HydrophobicContact CB-CG 3.8Å; A416-L437 HydrophobicContact CB-CD2 3.78Å
417A93.3Very high96.6Very high72 Ų7240.5 Ų40.560%0.59524%0.242SC*.PPolyproline II helixtrans-57.2155173.200000111.8L419A417-L419 PolarHBondContact O-N 3.07Å
418P94.4Very high96.5Very high122 Ų12245 Ų4579%0.79226%0.26SS*.PPolyproline II helixtrans-51.6125.2179.1-27.535.4000112.2
419L96.1Very high96.5Very high12 Ų1245.6 Ų45.66%0.06326%0.263CS..PPolyproline II helixtrans-62.6133.5-173.6-64.4178.7000111.5R384 F385 L408 L412 A417 L429R384-L419 HydrophobicContact CB-CB 3.99Å; R384-L419 WeakPolarHBondContact CD-O 3.43Å; R384-L419 HydrophobicContact CG-CB 4.5Å; F385-L419 HydrophobicContact CD1-CD1 4.12Å; F385-L419 HydrophobicContact CE1-CD1 3.72Å; F385-L419 HydrophobicContact CZ-CD1 3.96Å; L408-L419 HydrophobicContact CB-CD1 3.91Å; L408-L419 HydrophobicContact CD1-CD1 4.43Å; L408-L419 HydrophobicContact CD2-CD1 4.3Å; L408-L419 HydrophobicContact CD2-CD2 4.17Å; L408-L419 HydrophobicContact CG-CD1 4.46Å; L412-L419 HydrophobicContact CD1-CD1 3.63Å; L412-L419 HydrophobicContact CD1-CG 3.8Å; L412-L419 HydrophobicContact CD2-CD2 4.48Å; L412-L419 HydrophobicContact CD2-CG 3.94Å; L412-L419 HydrophobicContact CG-CD1 3.91Å; L412-L419 HydrophobicContact CG-CD2 4.36Å; L412-L419 HydrophobicContact CG-CG 3.76Å; A417-L419 PolarHBondContact O-N 3.07Å; L419-L429 HydrophobicContact CD2-CD1 3.98Å
420P96.2Very high96.4Very high22 Ų2245.8 Ų45.814%0.14326%0.263CS..PPolyproline II helixtrans-66.1142.1178.929.2-36.8000110.5E425 W426 L429P420-E425 HydrophobicContact CB-CB 4.14Å; P420-E425 HydrophobicContact CG-CB 3.79Å; P420-W426 HydrophobicContact CB-CB 4.37Å; P420-W426 HydrophobicContact CG-CB 4.09Å; P420-L429 HydrophobicContact CG-CD1 4.01Å
421P95.7Very high96.3Very high70 Ų7050 Ų5046%0.45528%0.283SS..SBendtrans-81-20176.832.4-35000113.4S383 R384S383-P421 PolarHBondContact OG-O 3.4Å; R384-P421 HydrophobicContact CG-CB 4.23Å
422N96.3Very high96.2Very high120 Ų12051 Ų5164%0.64229%0.293SS*.SBendtrans-167.2-178.6179.854.732.4000110.4
423G96.7Very high96.1Very high36 Ų3653.6 Ų53.637%0.37130%0.304SS..SBendtrans89.2-171.1174.200000114.9E425 W426 H427G423-E425 VanDerWaalsContact C-N 3.35Å; G423-E425 PolarHBondContact O-N 3.15Å; G423-W426 WeakPolarHBondContact O-CA 3.26Å; G423-W426 VanDerWaalsContact O-CB 3.27Å; G423-W426 WeakPolarHBondContact O-CB 3.46Å; G423-W426 PolarHBondContact O-N 3.47Å; G423-H427 PolarHBondContact O-CD2 3.49Å; G423-H427 PolarHBondContact O-N 2.99Å; G423-H427 VanDerWaalsContact O-N 3.08Å
424E96.4Very high95.9Very high134 Ų13455.4 Ų55.463%0.62631%0.313SS*.Hα-helixtrans-58.5-43.9-172.4-169.560.4-156.800112.7W426 H427 R428E424-W426 VanDerWaalsContact C-N 3.27Å; E424-W426 PolarHBondContact O-N 3.37Å; E424-H427 PolarHBondContact O-N 3.17Å; E424-H427 VanDerWaalsContact O-N 3.1Å; E424-R428 WeakPolarHBondContact O-CG 3.48Å; E424-R428 PolarHBondContact O-N 3.48Å
425E96Very high95.7Very high112 Ų11257.1 Ų57.152%0.52333%0.325SS..Hα-helixtrans-65.2-32.4178-50.1-153.2112.900112.6P420 G423 R428 L429P420-E425 HydrophobicContact CB-CB 4.14Å; P420-E425 HydrophobicContact CG-CB 3.79Å; G423-E425 VanDerWaalsContact C-N 3.35Å; G423-E425 PolarHBondContact O-N 3.15Å; E425-R428 IonicContact OE1-NH2 2.79Å; E425-R428 PolarHBondContact OE1-NH2 3.44Å; E425-L429 WeakPolarHBondContact O-CG 3.3Å; E425-L429 PolarHBondContact O-N 2.96Å
426W97.4Very high95.5Very high10 Ų1064.1 Ų64.14%0.03836%0.356CS..Hα-helixtrans-64.2-44.3172.3-176.9103.9000110.3S383 L391 P420 G423 E424 R430S383-W426 PolarHBondContact O-NE1 3.12Å; L391-W426 HydrophobicContact CD2-CH2 3.61Å; L391-W426 HydrophobicContact CD2-CZ2 4.11Å; L391-W426 HydrophobicContact CD2-CZ3 4.33Å; P420-W426 HydrophobicContact CB-CB 4.37Å; P420-W426 HydrophobicContact CG-CB 4.09Å; G423-W426 WeakPolarHBondContact O-CA 3.26Å; G423-W426 VanDerWaalsContact O-CB 3.27Å; G423-W426 WeakPolarHBondContact O-CB 3.46Å; G423-W426 PolarHBondContact O-N 3.47Å; E424-W426 VanDerWaalsContact C-N 3.27Å; E424-W426 PolarHBondContact O-N 3.37Å; W426-R430 VanDerWaalsContact CD1-NH1 3.31Å; W426-R430 VanDerWaalsContact CE2-NE 3.32Å; W426-R430 HydrophobicContact CH2-CG 4.05Å; W426-R430 HydrophobicContact CZ2-CG 4.46Å; W426-R430 HydrophobicContact CZ3-CG 4.11Å; W426-R430 WeakPolarHBondContact O-CD 3.43Å; W426-R430 PolarHBondContact O-N 3.44Å; W426-R430 PolarHBondContact O-NH1 3.29Å; W426-R430 VanDerWaalsContact O-NH1 3.14Å
427H96.9Very high95.4Very high74 Ų7465.4 Ų65.434%0.34336%0.361SS..Hα-helixtrans-65-46178.5-71.7-63.6000112.6G423 E424 L429 R430 E431G423-H427 PolarHBondContact O-CD2 3.49Å; G423-H427 PolarHBondContact O-N 2.99Å; G423-H427 VanDerWaalsContact O-N 3.08Å; E424-H427 PolarHBondContact O-N 3.17Å; E424-H427 VanDerWaalsContact O-N 3.1Å; H427-L429 VanDerWaalsContact C-N 3.28Å; H427-L429 PolarHBondContact O-N 2.86Å; H427-R430 CarbonylContact O-C 3.5Å; H427-R430 WeakPolarHBondContact O-CA 3.35Å; H427-R430 PolarHBondContact O-N 3.47Å; H427-E431 PolarHBondContact O-N 3.46Å; H427-E431 VanDerWaalsContact O-N 3.09Å
428R97.1Very high95.4Very high96 Ų9666.2 Ų66.236%0.36236%0.36SS..Hα-helixtrans-53.1-43.1177.3-70.2-169.2-65147.3-3.3112.7E424 E425 R430 E431 Q433E424-R428 WeakPolarHBondContact O-CG 3.48Å; E424-R428 PolarHBondContact O-N 3.48Å; E425-R428 IonicContact OE1-NH2 2.79Å; E425-R428 PolarHBondContact OE1-NH2 3.44Å; R428-R430 VanDerWaalsContact C-N 3.28Å; R428-R430 PolarHBondContact O-N 2.83Å; R428-E431 WeakPolarHBondContact O-CA 3.45Å; R428-E431 WeakPolarHBondContact O-CB 3.18Å; R428-E431 PolarHBondContact O-N 3.13Å; R428-Q433 HydrophobicContact CB-CB 4.24Å; R428-Q433 VanDerWaalsContact O-CB 3.3Å; R428-Q433 WeakPolarHBondContact O-CB 3.44Å; R428-Q433 PolarHBondContact O-N 2.88Å; R428-Q433 VanDerWaalsContact O-N 3.12Å
429L96.9Very high95.4Very high12 Ų1262.1 Ų62.16%0.06333%0.33CS..Hα-helixtrans-62.1-31.4175.4-70.2168.1000113.5L408 L419 P420 E425 H427 E431 P435L408-L429 HydrophobicContact CD2-CB 4.45Å; L408-L429 HydrophobicContact CD2-CD1 4.29Å; L408-L429 HydrophobicContact CD2-CD2 4.11Å; L419-L429 HydrophobicContact CD2-CD1 3.98Å; P420-L429 HydrophobicContact CG-CD1 4.01Å; E425-L429 WeakPolarHBondContact O-CG 3.3Å; E425-L429 PolarHBondContact O-N 2.96Å; H427-L429 VanDerWaalsContact C-N 3.28Å; H427-L429 PolarHBondContact O-N 2.86Å; L429-E431 VanDerWaalsContact C-N 3.29Å; L429-P435 HydrophobicContact CD2-CG 4.38Å
430R97.5Very high95.2Very high4 Ų470.9 Ų70.92%0.01537%0.371CS..Hα-helixtrans-85.4-3.7176-78.678.9-174.1162.44.2112.7S383 R384 L386 K388 F404 W426 H427 R428S383-R430 PolarHBondContact O-NH2 3.29Å; R384-R430 VanDerWaalsContact C-NH2 3.31Å; R384-R430 PolarHBondContact O-NH2 2.67Å; L386-R430 PolarHBondContact O-NE 3.23Å; L386-R430 PolarHBondContact O-NH2 2.86Å; K388-R430 HydrophobicContact CB-CB 4.02Å; K388-R430 HydrophobicContact CB-CG 3.9Å; K388-R430 HydrophobicContact CD-CB 4.21Å; F404-R430 HydrophobicContact CE1-CG 4.33Å; F404-R430 HydrophobicContact CE2-CG 4.36Å; F404-R430 HydrophobicContact CZ-CG 3.68Å; W426-R430 VanDerWaalsContact CD1-NH1 3.31Å; W426-R430 VanDerWaalsContact CE2-NE 3.32Å; W426-R430 HydrophobicContact CH2-CG 4.05Å; W426-R430 HydrophobicContact CZ2-CG 4.46Å; W426-R430 HydrophobicContact CZ3-CG 4.11Å; W426-R430 WeakPolarHBondContact O-CD 3.43Å; W426-R430 PolarHBondContact O-N 3.44Å; W426-R430 PolarHBondContact O-NH1 3.29Å; W426-R430 VanDerWaalsContact O-NH1 3.14Å; H427-R430 CarbonylContact O-C 3.5Å; H427-R430 WeakPolarHBondContact O-CA 3.35Å; H427-R430 PolarHBondContact O-N 3.47Å; R428-R430 VanDerWaalsContact C-N 3.28Å; R428-R430 PolarHBondContact O-N 2.83Å
431E97.1Very high95.2Very high89 Ų8970.8 Ų70.842%0.41637%0.369SS..THydrogen-bonded Turntrans-100.313.5172.3-69.8171.3-17500111.6H427 R428 L429 Q433H427-E431 PolarHBondContact O-N 3.46Å; H427-E431 VanDerWaalsContact O-N 3.09Å; R428-E431 WeakPolarHBondContact O-CA 3.45Å; R428-E431 WeakPolarHBondContact O-CB 3.18Å; R428-E431 PolarHBondContact O-N 3.13Å; L429-E431 VanDerWaalsContact C-N 3.29Å; E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 HydrophobicContact CB-CG 4.39Å; E431-Q433 PolarHBondContact O-N 3.08Å; E431-Q433 PolarHBondContact OE2-NE2 3.28Å
432G93.8Very high95.2Very high20 Ų2069.1 Ų69.121%0.20636%0.359CS..THydrogen-bonded Turntrans78.24.5-179.600000114.6L434 L453G432-L434 PolarHBondContact O-N 3.35Å; G432-L453 WeakPolarHBondContact CA-O 3.3Å
433Q95.2Very high95.2Very high85 Ų8568.9 Ų68.940%0.39736%0.364SS..  trans-80.6107.7-179.3-51.2177.731.100109.8R428 E431R428-Q433 HydrophobicContact CB-CB 4.24Å; R428-Q433 VanDerWaalsContact O-CB 3.3Å; R428-Q433 WeakPolarHBondContact O-CB 3.44Å; R428-Q433 PolarHBondContact O-N 2.88Å; R428-Q433 VanDerWaalsContact O-N 3.12Å; E431-Q433 VanDerWaalsContact C-N 3.27Å; E431-Q433 HydrophobicContact CB-CG 4.39Å; E431-Q433 PolarHBondContact O-N 3.08Å; E431-Q433 PolarHBondContact OE2-NE2 3.28Å
434L93.7Very high95.2Very high40 Ų4069.7 Ų69.721%0.20937%0.367CS..PPolyproline II helixtrans-70.3146.6178.1-92.559.3000111.8L411 G432 I446 L449 Q450 L453L411-L434 HydrophobicContact CD1-CG 4.15Å; L411-L434 HydrophobicContact CD2-CD2 4.08Å; L411-L434 HydrophobicContact CD2-CG 4.14Å; G432-L434 PolarHBondContact O-N 3.35Å; L434-I446 HydrophobicContact CD2-CG2 4.2Å; L434-L449 HydrophobicContact CD2-CB 4.14Å; L434-Q450 HydrophobicContact CD1-CB 4.4Å; L434-Q450 HydrophobicContact CD1-CG 3.62Å; L434-Q450 HydrophobicContact CD2-CG 3.87Å; L434-Q450 HydrophobicContact CG-CG 4.34Å; L434-L453 HydrophobicContact CD1-CB 4.38Å; L434-L453 HydrophobicContact CD1-CD2 3.87Å
435P92.6Very high95.2Very high37 Ų3763.3 Ų63.324%0.2434%0.337CS..PPolyproline II helixtrans-69.8156.6171.632.3-34.2000110.6L411 A416 L429 L437L411-P435 HydrophobicContact CD2-CG 4.46Å; A416-P435 HydrophobicContact CB-CB 4.4Å; A416-P435 HydrophobicContact CB-CG 3.8Å; L429-P435 HydrophobicContact CD2-CG 4.38Å; P435-L437 PolarHBondContact O-N 3.19Å
436L90.9Very high95.2Very high170 Ų17060 Ų6089%0.8932%0.323SS*.PPolyproline II helixtrans-65.2130.1168-64.3175.2000109.4
437L94.2Very high95.2Very high37 Ų3761 Ų6119%0.19434%0.336CS..PPolyproline II helixtrans-100.8143.7178-62.9178.5000110.5L411 A414 A416 P435 Q439 L441 I446L411-L437 HydrophobicContact CD2-CD1 4.22Å; L411-L437 HydrophobicContact CD2-CD2 4.22Å; A414-L437 HydrophobicContact CB-CD1 4.14Å; A414-L437 HydrophobicContact CB-CD2 4.14Å; A416-L437 HydrophobicContact CB-CD2 3.78Å; P435-L437 PolarHBondContact O-N 3.19Å; L437-Q439 PolarHBondContact O-N 3.37Å; L437-L441 HydrophobicContact CD1-CD1 3.53Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; L437-I446 HydrophobicContact CD1-CD1 4.07Å
438P93.4Very high95.2Very high88 Ų8857.6 Ų57.657%0.57132%0.321SS*.SBendtrans-73.9-9.3177.130.9-36.6000113.7L299 G415L299-P438 HydrophobicContact CD1-CB 4.26Å; L299-P438 HydrophobicContact CD1-CG 3.7Å; L299-P438 HydrophobicContact CD2-CG 4.44Å; G415-P438 WeakPolarHBondContact O-CD 3.34Å; G415-P438 WeakPolarHBondContact O-CG 3.46Å
439Q92.4Very high95.2Very high36 Ų3653 Ų5317%0.16830%0.304CS..SBendtrans-122150.4177.362.3175.3-52.800111.4L299 L300 A414 L437 L441L299-Q439 HydrophobicContact CD1-CB 4.01Å; L299-Q439 HydrophobicContact CD1-CG 4.2Å; L300-Q439 PolarHBondContact O-NE2 3.34Å; L300-Q439 PolarHBondContact O-OE1 2.96Å; A414-Q439 PolarHBondContact O-NE2 3.02Å; L437-Q439 PolarHBondContact O-N 3.37Å; Q439-L441 HydrophobicContact CG-CD2 4.12Å; Q439-L441 HydrophobicContact CG-CG 4.41Å
440Q93.3Very high95.3Very high197 Ų19757 Ų5792%0.92132%0.322SS*.  trans-81123.1172.1-65.9-177.5-1.300109.7
441L95.6Very high95.3Very high20 Ų2058.5 Ų58.511%0.10533%0.333CS..  trans-109.5153.3171.2-58.5179.6000109.3E302 L305 A414 L437 Q439 F445 I446 L449E302-L441 HydrophobicContact CB-CD2 3.89Å; E302-L441 HydrophobicContact CG-CD2 4.3Å; L305-L441 HydrophobicContact CD1-CD1 4.3Å; L305-L441 HydrophobicContact CD1-CD2 3.92Å; A414-L441 HydrophobicContact CB-CD1 4.2Å; L437-L441 HydrophobicContact CD1-CD1 3.53Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; Q439-L441 HydrophobicContact CG-CD2 4.12Å; Q439-L441 HydrophobicContact CG-CG 4.41Å; L441-F445 HydrophobicContact CB-CD1 4.29Å; L441-F445 HydrophobicContact CD1-CD1 3.94Å; L441-F445 HydrophobicContact CD1-CE1 4.08Å; L441-F445 HydrophobicContact CD2-CD1 4.49Å; L441-F445 HydrophobicContact CG-CD1 4.48Å; L441-I446 HydrophobicContact CB-CD1 3.9Å; L441-I446 HydrophobicContact CB-CG1 4.01Å; L441-I446 HydrophobicContact CD1-CD1 4Å; L441-I446 HydrophobicContact CG-CD1 4.43Å; L441-L449 HydrophobicContact CD1-CD1 4.36Å
442S95.9Very high95.3Very high34 Ų3454.3 Ų54.324%0.23831%0.313CS..  trans-58.9141.5179.168.20000111.6E302 A444 F445 I446E302-S442 WeakPolarHBondContact OE1-CB 3.21Å; E302-S442 PolarHBondContact OE1-OG 3.42Å; E302-S442 WeakPolarHBondContact OE2-CB 3.44Å; E302-S442 PolarHBondContact OE2-N 2.9Å; E302-S442 PolarHBondContact OE2-OG 2.93Å; S442-A444 PolarHBondContact O-N 3.11Å; S442-A444 VanDerWaalsContact O-N 3.13Å; S442-F445 PolarHBondContact O-N 3.08Å; S442-F445 WeakPolarHBondContact OG-CB 3.33Å; S442-F445 PolarHBondContact OG-N 3.14Å; S442-I446 PolarHBondContact O-N 3.27Å
443P95.9Very high95.5Very high115 Ų11553.3 Ų53.375%0.74730%0.303SS*.Hα-helixtrans-56-33.4179.5-27.935.4000113.3I446 G447P443-I446 PolarHBondContact O-N 3.28Å; P443-G447 PolarHBondContact O-N 3.02Å
444A95.9Very high95.7Very high53 Ų5351.4 Ų51.444%0.43830%0.296SS..Hα-helixtrans-68-34.2176.500000112.8S442 L448 V471S442-A444 PolarHBondContact O-N 3.11Å; S442-A444 VanDerWaalsContact O-N 3.13Å; A444-L448 PolarHBondContact O-N 3.4Å; A444-V471 HydrophobicContact CB-CG2 3.73Å
445F96.5Very high95.9Very high0 Ų053 Ų530%031%0.308CS..Hα-helixtrans-77.8-37.6174.6-170.5-128.9000112.1E302 L305 K306 L309 V410 L441 S442 L448 L449 V471 L472E302-F445 HydrophobicContact CG-CD1 3.79Å; E302-F445 HydrophobicContact CG-CE1 4.26Å; E302-F445 HydrophobicContact CG-CG 4.33Å; L305-F445 HydrophobicContact CB-CE1 3.79Å; L305-F445 HydrophobicContact CB-CZ 3.86Å; L305-F445 HydrophobicContact CD1-CE1 4.23Å; K306-F445 HydrophobicContact CG-CD2 3.91Å; K306-F445 HydrophobicContact CG-CE2 3.77Å; K306-F445 HydrophobicContact CG-CG 4.37Å; K306-F445 HydrophobicContact CG-CZ 4.12Å; L309-F445 HydrophobicContact CD2-CE2 3.94Å; V410-F445 HydrophobicContact CG1-CZ 4Å; L441-F445 HydrophobicContact CB-CD1 4.29Å; L441-F445 HydrophobicContact CD1-CD1 3.94Å; L441-F445 HydrophobicContact CD1-CE1 4.08Å; L441-F445 HydrophobicContact CD2-CD1 4.49Å; L441-F445 HydrophobicContact CG-CD1 4.48Å; S442-F445 PolarHBondContact O-N 3.08Å; S442-F445 WeakPolarHBondContact OG-CB 3.33Å; S442-F445 PolarHBondContact OG-N 3.14Å; F445-L448 HydrophobicContact CD2-CD2 4.33Å; F445-L448 WeakPolarHBondContact O-CB 3.42Å; F445-L448 PolarHBondContact O-N 3.29Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CE1-CD1 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.36Å; F445-L449 HydrophobicContact CZ-CD2 4.44Å; F445-L449 WeakPolarHBondContact O-CG 3.5Å; F445-L449 PolarHBondContact O-N 2.75Å; F445-V471 HydrophobicContact CB-CG1 4.01Å; F445-V471 HydrophobicContact CD2-CG1 3.97Å; F445-V471 HydrophobicContact CG-CG1 4.45Å; F445-L472 HydrophobicContact CE2-CD2 4.2Å
446I97Very high96.1Very high42 Ų4254.6 Ų54.622%0.21532%0.315CS..Hα-helixtrans-59.9-46170.4-67.8-64.2000111.3L434 L437 L441 S442 P443 L448 L449 Q450L434-I446 HydrophobicContact CD2-CG2 4.2Å; L437-I446 HydrophobicContact CD1-CD1 4.07Å; L441-I446 HydrophobicContact CB-CD1 3.9Å; L441-I446 HydrophobicContact CB-CG1 4.01Å; L441-I446 HydrophobicContact CD1-CD1 4Å; L441-I446 HydrophobicContact CG-CD1 4.43Å; S442-I446 PolarHBondContact O-N 3.27Å; P443-I446 PolarHBondContact O-N 3.28Å; I446-L448 VanDerWaalsContact C-N 3.27Å; I446-L448 PolarHBondContact O-N 3.08Å; I446-L449 PolarHBondContact O-N 2.91Å; I446-L449 VanDerWaalsContact O-N 3.15Å; I446-Q450 WeakPolarHBondContact O-CG 3.27Å; I446-Q450 PolarHBondContact O-N 2.77Å
447G97.1Very high96.5Very high31 Ų3147 Ų4732%0.3228%0.276SS..Hα-helixtrans-61-34.5175.500000113.2P443 Q450 S451P443-G447 PolarHBondContact O-N 3.02Å; G447-Q450 PolarHBondContact O-N 3.35Å; G447-S451 PolarHBondContact O-N 3.09Å
448L97.5Very high96.6Very high4 Ų449.1 Ų49.12%0.02129%0.29CS..Hα-helixtrans-67-43.9173.1-171.859.5000112.1L309 A444 F445 I446 Q450 S451 L452 L466 V471 L472L309-L448 HydrophobicContact CD2-CD2 4.21Å; A444-L448 PolarHBondContact O-N 3.4Å; F445-L448 HydrophobicContact CD2-CD2 4.33Å; F445-L448 WeakPolarHBondContact O-CB 3.42Å; F445-L448 PolarHBondContact O-N 3.29Å; I446-L448 VanDerWaalsContact C-N 3.27Å; I446-L448 PolarHBondContact O-N 3.08Å; L448-Q450 VanDerWaalsContact C-N 3.34Å; L448-S451 PolarHBondContact O-N 3.24Å; L448-S451 PolarHBondContact O-OG 2.93Å; L448-L452 PolarHBondContact O-N 2.57Å; L448-L466 HydrophobicContact CD1-CD1 3.51Å; L448-L466 HydrophobicContact CD2-CD1 3.92Å; L448-L466 HydrophobicContact CG-CD1 4.01Å; L448-V471 HydrophobicContact CD2-CB 4.21Å; L448-V471 HydrophobicContact CD2-CG1 4.15Å; L448-L472 HydrophobicContact CD2-CD1 4.22Å; L448-L472 HydrophobicContact CD2-CD2 3.83Å; L448-L472 HydrophobicContact CD2-CG 3.89Å
449L97.7Very high96.9Very high0 Ų049.5 Ų49.50%029%0.287CS..Hα-helixtrans-65.6-36.2175.7-66.2175.3000112V410 L411 L434 L441 F445 I446 L452 L453V410-L449 HydrophobicContact CB-CD2 4.04Å; V410-L449 HydrophobicContact CG1-CD1 4.5Å; V410-L449 HydrophobicContact CG1-CD2 3.8Å; L411-L449 HydrophobicContact CD2-CD1 4.03Å; L434-L449 HydrophobicContact CD2-CB 4.14Å; L441-L449 HydrophobicContact CD1-CD1 4.36Å; F445-L449 HydrophobicContact CD1-CD1 4.35Å; F445-L449 HydrophobicContact CE1-CD1 4.11Å; F445-L449 HydrophobicContact CZ-CD1 4.36Å; F445-L449 HydrophobicContact CZ-CD2 4.44Å; F445-L449 WeakPolarHBondContact O-CG 3.5Å; F445-L449 PolarHBondContact O-N 2.75Å; I446-L449 PolarHBondContact O-N 2.91Å; I446-L449 VanDerWaalsContact O-N 3.15Å; L449-L452 HydrophobicContact CD2-CD1 4.34Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.8Å; L449-L453 PolarHBondContact O-N 3.48Å
450Q97.4Very high97.1Very high96 Ų9648 Ų4845%0.44928%0.28SS..Hα-helixtrans-59.2-45.6170-78.1168.5-19.200111.8L434 I446 G447 L448 L452 L453 D454L434-Q450 HydrophobicContact CD1-CB 4.4Å; L434-Q450 HydrophobicContact CD1-CG 3.62Å; L434-Q450 HydrophobicContact CD2-CG 3.87Å; L434-Q450 HydrophobicContact CG-CG 4.34Å; I446-Q450 WeakPolarHBondContact O-CG 3.27Å; I446-Q450 PolarHBondContact O-N 2.77Å; G447-Q450 PolarHBondContact O-N 3.35Å; L448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-L452 PolarHBondContact O-N 3.28Å; Q450-L453 CarbonylContact O-C 3.48Å; Q450-L453 PolarHBondContact O-N 3.23Å; Q450-D454 PolarHBondContact O-N 2.84Å
451S98Very high97.4Very high35 Ų3539.5 Ų39.525%0.24524%0.242CC..Hα-helixtrans-62.8-26.6178.278.60000113.6G447 L448 R460 P461G447-S451 PolarHBondContact O-N 3.09Å; L448-S451 PolarHBondContact O-N 3.24Å; L448-S451 PolarHBondContact O-OG 2.93Å; S451-R460 WeakPolarHBondContact O-CA 3.39Å; S451-P461 VanDerWaalsContact O-CD 3.32Å; S451-P461 WeakPolarHBondContact O-CD 3.41Å
452L98.3Very high97.5Very high0 Ų040 Ų400%025%0.248CC..Hα-helixtrans-74.8-27.6172.9-71.8173.9000113L309 M403 F404 L448 L449 Q450 R460 P461 L466L309-L452 HydrophobicContact CD1-CD1 4.11Å; L309-L452 HydrophobicContact CD2-CD1 4.35Å; M403-L452 HydrophobicContact CB-CD2 3.88Å; M403-L452 HydrophobicContact CE-CD2 3.95Å; F404-L452 WeakPolarHBondContact CA-O 3.43Å; L448-L452 PolarHBondContact O-N 2.57Å; L449-L452 HydrophobicContact CD2-CD1 4.34Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.8Å; Q450-L452 PolarHBondContact O-N 3.28Å; L452-R460 WeakPolarHBondContact O-CD 3.33Å; L452-P461 HydrophobicContact CD2-CG 4.03Å; L452-L466 HydrophobicContact CD1-CD2 4.3Å; L452-L466 HydrophobicContact CD2-CD2 3.78Å; L452-L466 HydrophobicContact CG-CD2 4.45Å
453L98.1Very high97.6Very high0 Ų038.5 Ų38.50%024%0.237CC..THydrogen-bonded Turntrans-96.39.8-178.7-91.165.6000113.3F404 L408 L411 G432 L434 L449 Q450F404-L453 HydrophobicContact CD2-CG 4.24Å; F404-L453 HydrophobicContact CE2-CB 4.3Å; F404-L453 HydrophobicContact CE2-CG 3.93Å; L408-L453 HydrophobicContact CD2-CD2 3.97Å; L408-L453 HydrophobicContact CG-CD1 4.46Å; L411-L453 HydrophobicContact CD1-CD1 4.23Å; L411-L453 HydrophobicContact CD1-CD2 3.63Å; G432-L453 WeakPolarHBondContact CA-O 3.3Å; L434-L453 HydrophobicContact CD1-CB 4.38Å; L434-L453 HydrophobicContact CD1-CD2 3.87Å; L449-L453 PolarHBondContact O-N 3.48Å; Q450-L453 CarbonylContact O-C 3.48Å; Q450-L453 PolarHBondContact O-N 3.23Å
454D98.3Very high97.6Very high45 Ų4540.7 Ų40.724%0.24123%0.23CC..  trans-54.4132.7-178.9-164.1-67.2000111.4Q450 D456 N459 R460Q450-D454 PolarHBondContact O-N 2.84Å; D454-D456 PolarHBondContact O-N 3.37Å; D454-D456 PolarHBondContact OD1-N 2.69Å; D454-N459 HydrophobicContact CB-CB 4.14Å; D454-N459 VanDerWaalsContact CG-CB 3.45Å; D454-N459 PolarHBondContact OD1-ND2 2.96Å; D454-N459 WeakPolarHBondContact OD2-CB 3.37Å; D454-R460 HydrophobicContact CB-CG 3.87Å; D454-R460 PolarHBondContact O-NE 2.96Å; D454-R460 PolarHBondContact O-NH2 3.2Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å
455P97.7Very high97.6Very high72 Ų7243.6 Ų43.647%0.46824%0.235SC..SBendtrans-58.4-33179.4-25.635.7000113.2
456D97.9Very high97.6Very high71 Ų7143.6 Ų43.638%0.3824%0.235SC..SBendtrans-90116.3175.1-172.9-16.2000110.1D454 V458 N459D454-D456 PolarHBondContact O-N 3.37Å; D454-D456 PolarHBondContact OD1-N 2.69Å; D456-V458 PolarHBondContact O-N 3.02Å; D456-V458 VanDerWaalsContact O-N 3.11Å; D456-V458 VanDerWaalsContact OD1-CB 3.29Å; D456-V458 WeakPolarHBondContact OD1-CB 3.38Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.42Å; D456-V458 PolarHBondContact OD1-N 3.01Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 VanDerWaalsContact O-N 3.15Å
457P98.1Very high97.3Very high12 Ų1242 Ų428%0.07823%0.228CC..THydrogen-bonded Turntrans-59.7-22.4176.727.5-37000113.2E389 H397 K400E389-P457 HydrophobicContact CG-CB 4.35Å; E389-P457 HydrophobicContact CG-CG 4.11Å; H397-P457 HydrophobicContact CB-CB 3.9Å; H397-P457 HydrophobicContact CB-CG 4.15Å; K400-P457 HydrophobicContact CB-CB 3.81Å; K400-P457 WeakPolarHBondContact CB-O 3.16Å; K400-P457 WeakPolarHBondContact CD-O 3.47Å; K400-P457 HydrophobicContact CG-CB 4.41Å; K400-P457 WeakPolarHBondContact CG-O 3.49Å; K400-P457 PolarHBondContact NZ-O 3.17Å
458V97.5Very high97Very high80 Ų8048.5 Ų48.549%0.48524%0.242SC..THydrogen-bonded Turntrans-64.7-40.7176.9-1790000111.2K400 D456K400-V458 PolarHBondContact NZ-O 3.34Å; D456-V458 PolarHBondContact O-N 3.02Å; D456-V458 VanDerWaalsContact O-N 3.11Å; D456-V458 VanDerWaalsContact OD1-CB 3.29Å; D456-V458 WeakPolarHBondContact OD1-CB 3.38Å; D456-V458 WeakPolarHBondContact OD1-CG2 3.42Å; D456-V458 PolarHBondContact OD1-N 3.01Å
459N97.9Very high96.7Very high97 Ų9751.2 Ų51.252%0.51926%0.255SS..THydrogen-bonded Turntrans-72.1-29.2-177.8-66.6-23.1000113.4D454 D456D454-N459 HydrophobicContact CB-CB 4.14Å; D454-N459 VanDerWaalsContact CG-CB 3.45Å; D454-N459 PolarHBondContact OD1-ND2 2.96Å; D454-N459 WeakPolarHBondContact OD2-CB 3.37Å; D456-N459 PolarHBondContact O-N 3.42Å; D456-N459 VanDerWaalsContact O-N 3.15Å
460R98.4Very high96.4Very high3 Ų355.5 Ų55.51%0.01128%0.283CS..SBendtrans-59.1134.9179.3-57.9179-161.1145.612.8111.2E389 K400 S451 L452 D454E389-R460 IonicContact OE1-CZ 2.69Å; E389-R460 IonicContact OE1-NH1 2.84Å; E389-R460 PolarHBondContact OE1-NH1 3.08Å; E389-R460 IonicContact OE1-NH2 3.56Å; E389-R460 IonicContact OE2-CZ 3.61Å; E389-R460 IonicContact OE2-NH1 2.7Å; E389-R460 PolarHBondContact OE2-NH1 3.5Å; E389-R460 IonicContact OE2-NH2 3.74Å; E389-R460 PolarHBondContact OE2-NH2 2.78Å; K400-R460 HydrophobicContact CD-CB 4.34Å; K400-R460 WeakPolarHBondContact CD-O 3.3Å; K400-R460 WeakPolarHBondContact CE-O 3.29Å; K400-R460 PolarHBondContact NZ-O 2.85Å; K400-R460 WeakPolarHBondContact O-CD 3.44Å; K400-R460 PolarHBondContact O-NH1 2.94Å; S451-R460 WeakPolarHBondContact O-CA 3.39Å; L452-R460 WeakPolarHBondContact O-CD 3.33Å; D454-R460 HydrophobicContact CB-CG 3.87Å; D454-R460 PolarHBondContact O-NE 2.96Å; D454-R460 PolarHBondContact O-NH2 3.2Å; D454-R460 VanDerWaalsContact O-NH2 3.1Å
461P98.1Very high96.1Very high19 Ų1951.4 Ų51.412%0.12326%0.264CS..PPolyproline II helixtrans-65.1139.4178.727.5-34.5000111.1M403 S451 L452 E465M403-P461 WeakPolarHBondContact CG-O 3.39Å; S451-P461 VanDerWaalsContact O-CD 3.32Å; S451-P461 WeakPolarHBondContact O-CD 3.41Å; L452-P461 HydrophobicContact CD2-CG 4.03Å; P461-E465 HydrophobicContact CB-CB 4.5Å
462S98.5Very high95.6Very high32 Ų3250.3 Ų50.322%0.22426%0.255CS..PPolyproline II helixtrans-69.3158.2170.170.30000111.3R464 E465 L466S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.08Å; S462-E465 WeakPolarHBondContact CA-OE2 3.23Å; S462-E465 WeakPolarHBondContact CB-OE2 3.28Å; S462-E465 PolarHBondContact N-OE2 3.25Å; S462-E465 PolarHBondContact O-N 3.1Å; S462-E465 PolarHBondContact OG-N 3.04Å; S462-E465 PolarHBondContact OG-OE2 2.79Å; S462-L466 WeakPolarHBondContact O-CB 3.43Å; S462-L466 PolarHBondContact O-N 2.88Å
463A97.8Very high94.5Very high2 Ų255.8 Ų55.82%0.01728%0.276CS..Hα-helixtrans-57.2-27.1175.300000113.4V313 L316 K317 M403 C467V313-A463 HydrophobicContact CG1-CB 4.16Å; V313-A463 VanDerWaalsContact CG1-O 3.26Å; V313-A463 WeakPolarHBondContact CG1-O 3.43Å; L316-A463 HydrophobicContact CB-CB 4.04Å; K317-A463 HydrophobicContact CB-CB 3.81Å; M403-A463 HydrophobicContact CE-CB 4.22Å; M403-A463 HydrophobicContact SD-CB 3.82Å; A463-C467 PolarHBondContact O-N 3.26Å; A463-C467 PolarHBondContact O-SG 3.33Å
464R96.1Very high92.9Very high161 Ų16159 Ų5961%0.60829%0.291SS*.Hα-helixtrans-71.6-40.8175.6-174.8-177.4-175.6-170.93.3112.6S462S462-R464 PolarHBondContact O-N 3.14Å; S462-R464 VanDerWaalsContact O-N 3.08Å
465E96.4Very high91Very high114 Ų11462 Ų6253%0.53330%0.302SS..Hα-helixtrans-71.4-43.7176.8-72148.9157.700110.3P461 S462 C467 R468 H469P461-E465 HydrophobicContact CB-CB 4.5Å; S462-E465 WeakPolarHBondContact CA-OE2 3.23Å; S462-E465 WeakPolarHBondContact CB-OE2 3.28Å; S462-E465 PolarHBondContact N-OE2 3.25Å; S462-E465 PolarHBondContact O-N 3.1Å; S462-E465 PolarHBondContact OG-N 3.04Å; S462-E465 PolarHBondContact OG-OE2 2.79Å; E465-C467 PolarHBondContact O-N 3.09Å; E465-R468 CarbonylContact O-C 3.56Å; E465-R468 WeakPolarHBondContact O-CA 3.41Å; E465-R468 WeakPolarHBondContact O-CB 3.32Å; E465-R468 PolarHBondContact O-N 2.88Å; E465-H469 PolarHBondContact O-N 3.19Å
466L95.4Very high88.9Confident0 Ų064 Ų640%031%0.305CS..Hα-helixtrans-65.2-34.9-177.9-169.554.5000113L309 V313 M403 L448 L452 S462 R468 H469 L472L309-L466 HydrophobicContact CD1-CD2 4.31Å; V313-L466 HydrophobicContact CG1-CB 3.84Å; V313-L466 HydrophobicContact CG1-CD2 4.29Å; V313-L466 HydrophobicContact CG1-CG 4.04Å; V313-L466 HydrophobicContact CG2-CD2 3.51Å; V313-L466 HydrophobicContact CG2-CG 3.94Å; M403-L466 HydrophobicContact CE-CB 4.36Å; M403-L466 HydrophobicContact CE-CD2 3.48Å; M403-L466 VanDerWaalsContact CE-CD2 3.48Å; L448-L466 HydrophobicContact CD1-CD1 3.51Å; L448-L466 HydrophobicContact CD2-CD1 3.92Å; L448-L466 HydrophobicContact CG-CD1 4.01Å; L452-L466 HydrophobicContact CD1-CD2 4.3Å; L452-L466 HydrophobicContact CD2-CD2 3.78Å; L452-L466 HydrophobicContact CG-CD2 4.45Å; S462-L466 WeakPolarHBondContact O-CB 3.43Å; S462-L466 PolarHBondContact O-N 2.88Å; L466-R468 PolarHBondContact O-N 3.49Å; L466-H469 HydrophobicContact CD1-CB 3.99Å; L466-H469 WeakPolarHBondContact O-CB 3.27Å; L466-H469 PolarHBondContact O-N 3.34Å; L466-L472 HydrophobicContact CD1-CD1 3.87Å; L466-L472 HydrophobicContact CG-CD1 4.05Å
467C91.8Very high86.9Confident9 Ų963.7 Ų63.76%0.06131%0.306CS..THydrogen-bonded Turntrans-56-15.7168.1-80.30000115.1K317 A463 E465 R473K317-C467 HydrophobicContact CD-CB 4.4Å; K317-C467 VanDerWaalsContact CD-SG 3.56Å; A463-C467 PolarHBondContact O-N 3.26Å; A463-C467 PolarHBondContact O-SG 3.33Å; E465-C467 PolarHBondContact O-N 3.09Å; C467-R473 PolarHBondContact O-NE 3.36Å; C467-R473 PolarHBondContact O-NH2 3.37Å
468R89.8Confident85.1Confident167 Ų16768.4 Ų68.463%0.6333%0.327SS*.THydrogen-bonded Turntrans-113-1.6-178-63.5172167.2-177.2-9112.4E465 L466E465-R468 CarbonylContact O-C 3.56Å; E465-R468 WeakPolarHBondContact O-CA 3.41Å; E465-R468 WeakPolarHBondContact O-CB 3.32Å; E465-R468 PolarHBondContact O-N 2.88Å; L466-R468 PolarHBondContact O-N 3.49Å
469H92.4Very high83.4Confident61 Ų6173.8 Ų73.828%0.28234%0.338SS..  trans-66.6130.5-174.8-163-91.6000111.2E465 L466 V471 L472E465-H469 PolarHBondContact O-N 3.19Å; L466-H469 HydrophobicContact CD1-CB 3.99Å; L466-H469 WeakPolarHBondContact O-CB 3.27Å; L466-H469 PolarHBondContact O-N 3.34Å; H469-V471 VanDerWaalsContact C-N 3.31Å; H469-V471 WeakPolarHBondContact ND1-CB 3.47Å; H469-V471 PolarHBondContact O-N 3.08Å; H469-L472 PolarHBondContact O-N 3.06Å; H469-L472 VanDerWaalsContact O-N 3.07Å
470P90.4Very high81.8Confident90 Ų9073.7 Ų73.758%0.58434%0.337SS*.Hα-helixtrans-53.9-44.4-174-29.135.7000113.7L472 R473 E474P470-L472 PolarHBondContact O-N 2.92Å; P470-R473 WeakPolarHBondContact O-CA 3.48Å; P470-R473 PolarHBondContact O-N 3.1Å; P470-E474 WeakPolarHBondContact O-CG 3.39Å; P470-E474 PolarHBondContact O-N 3.25Å
471V91.6Very high80.2Confident9 Ų977.4 Ų77.46%0.05536%0.357CS..Hα-helixtrans-55.2-23.6180176.90000114.1K306 A444 F445 L448 H469 E474K306-V471 VanDerWaalsContact CD-O 3.27Å; K306-V471 WeakPolarHBondContact CD-O 3.44Å; K306-V471 VanDerWaalsContact CE-CG1 3.46Å; K306-V471 WeakPolarHBondContact CE-O 3.38Å; K306-V471 PolarHBondContact NZ-O 3.05Å; A444-V471 HydrophobicContact CB-CG2 3.73Å; F445-V471 HydrophobicContact CB-CG1 4.01Å; F445-V471 HydrophobicContact CD2-CG1 3.97Å; F445-V471 HydrophobicContact CG-CG1 4.45Å; L448-V471 HydrophobicContact CD2-CB 4.21Å; L448-V471 HydrophobicContact CD2-CG1 4.15Å; H469-V471 VanDerWaalsContact C-N 3.31Å; H469-V471 WeakPolarHBondContact ND1-CB 3.47Å; H469-V471 PolarHBondContact O-N 3.08Å; V471-E474 WeakPolarHBondContact CA-OE1 3.49Å
472L87.6Confident78.8Confident13 Ų1379.1 Ų79.17%0.06837%0.374CS..Hα-helixtrans-98.2-10.4176.9-54.6-174000113.2K306 L309 L310 F445 L448 L466 H469 P470K306-L472 HydrophobicContact CB-CD2 4.13Å; K306-L472 HydrophobicContact CG-CD2 3.99Å; L309-L472 HydrophobicContact CD2-CD1 4.06Å; L309-L472 HydrophobicContact CD2-CD2 4.04Å; L309-L472 HydrophobicContact CG-CD1 4.06Å; L310-L472 HydrophobicContact CB-CB 4.5Å; L310-L472 HydrophobicContact CB-CD1 4.49Å; L310-L472 HydrophobicContact CD1-CB 4.36Å; F445-L472 HydrophobicContact CE2-CD2 4.2Å; L448-L472 HydrophobicContact CD2-CD1 4.22Å; L448-L472 HydrophobicContact CD2-CD2 3.83Å; L448-L472 HydrophobicContact CD2-CG 3.89Å; L466-L472 HydrophobicContact CD1-CD1 3.87Å; L466-L472 HydrophobicContact CG-CD1 4.05Å; H469-L472 PolarHBondContact O-N 3.06Å; H469-L472 VanDerWaalsContact O-N 3.07Å; P470-L472 PolarHBondContact O-N 2.92Å
473R75.4Confident77.6Confident115 Ų11582.7 Ų82.743%0.43439%0.387SS..Hα-helixtrans-108.1-17-177.1-76.2-173.7168.4-101.2-8.7114.8C467 P470 K475 Q476 T477C467-R473 PolarHBondContact O-NE 3.36Å; C467-R473 PolarHBondContact O-NH2 3.37Å; P470-R473 WeakPolarHBondContact O-CA 3.48Å; P470-R473 PolarHBondContact O-N 3.1Å; R473-K475 PolarHBondContact O-N 3.42Å; R473-Q476 PolarHBondContact O-N 3.31Å; R473-T477 WeakPolarHBondContact O-CB 3.16Å; R473-T477 PolarHBondContact O-N 3.26Å; R473-T477 PolarHBondContact O-OG1 3.47Å
474E64.2Low76.7Confident66 Ų6686.8 Ų86.831%0.30841%0.408SS..Hα-helixtrans-36.4-67.2175.7-78.8153.5-171.700111.8K306 P470 V471 Q476 T477 E478K306-E474 IonicContact NZ-OE2 2.81Å; K306-E474 PolarHBondContact NZ-OE2 3.12Å; P470-E474 WeakPolarHBondContact O-CG 3.39Å; P470-E474 PolarHBondContact O-N 3.25Å; V471-E474 WeakPolarHBondContact CA-OE1 3.49Å; E474-Q476 PolarHBondContact O-N 3.12Å; E474-T477 PolarHBondContact O-N 3.27Å; E474-T477 VanDerWaalsContact O-N 3.15Å; E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 VanDerWaalsContact O-CG 3.23Å; E474-E478 WeakPolarHBondContact O-CG 3.46Å; E474-E478 PolarHBondContact O-N 3.37Å
475K57.7Low75.9Confident110 Ų11085.1 Ų85.148%0.47841%0.407SS..Hα-helixtrans-66.9-31.1-172.6-70.4-170.6173.1-174.80116.3R473 R479R473-K475 PolarHBondContact O-N 3.42Å; K475-R479 WeakPolarHBondContact O-CB 3.45Å; K475-R479 VanDerWaalsContact O-CG 3.27Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 3.35Å; K475-R479 VanDerWaalsContact O-N 3.1Å
476Q55.1Low75.1Confident112 Ų11288.1 Ų88.152%0.52341%0.413SS..Hα-helixtrans-72.4-39.8174.1-85.4-174.61.300110.9R473 E474 L480R473-Q476 PolarHBondContact O-N 3.31Å; E474-Q476 PolarHBondContact O-N 3.12Å; Q476-L480 VanDerWaalsContact O-CB 3.25Å; Q476-L480 WeakPolarHBondContact O-CB 3.32Å; Q476-L480 PolarHBondContact O-N 3.12Å
477T55.2Low74.7Confident65 Ų6592 Ų9240%0.39943%0.432SS..Hα-helixtrans-69.7-43.1179.5-47.20000110.3R473 E474 N481R473-T477 WeakPolarHBondContact O-CB 3.16Å; R473-T477 PolarHBondContact O-N 3.26Å; R473-T477 PolarHBondContact O-OG1 3.47Å; E474-T477 PolarHBondContact O-N 3.27Å; E474-T477 VanDerWaalsContact O-N 3.15Å; T477-N481 WeakPolarHBondContact O-CB 3.35Å; T477-N481 PolarHBondContact O-N 2.76Å; T477-N481 PolarHBondContact O-ND2 3.24Å; T477-N481 PolarHBondContact O-OD1 2.81Å
478E59.9Low74.6Confident111 Ų11195.9 Ų95.952%0.51945%0.451SS..Hα-helixtrans-62-48.8175.4-73.4158.3-169.300112.5E474 N481 A482E474-E478 WeakPolarHBondContact O-CB 3.49Å; E474-E478 VanDerWaalsContact O-CG 3.23Å; E474-E478 WeakPolarHBondContact O-CG 3.46Å; E474-E478 PolarHBondContact O-N 3.37Å; E478-N481 PolarHBondContact O-N 3.24Å; E478-A482 VanDerWaalsContact O-CB 3.29Å; E478-A482 WeakPolarHBondContact O-CB 3.47Å; E478-A482 PolarHBondContact O-N 2.85Å
479R62.2Low74.6Confident193 Ų19392.3 Ų92.373%0.72845%0.445SS*.Hα-helixtrans-62.2-46.1177.7-76.7175.5174.2174.2-3.9112.1K475 A482 Q483K475-R479 WeakPolarHBondContact O-CB 3.45Å; K475-R479 VanDerWaalsContact O-CG 3.27Å; K475-R479 WeakPolarHBondContact O-CG 3.48Å; K475-R479 PolarHBondContact O-N 3.35Å; K475-R479 VanDerWaalsContact O-N 3.1Å; R479-A482 PolarHBondContact O-N 3.25Å; R479-Q483 WeakPolarHBondContact O-CB 3.33Å; R479-Q483 PolarHBondContact O-N 2.88Å
480L64.4Low74.6Confident95 Ų9591.2 Ų91.250%0.49744%0.442SS..Hα-helixtrans-64.7-40.8177.8-173.567000111.3Q476 Q483 L484Q476-L480 VanDerWaalsContact O-CB 3.25Å; Q476-L480 WeakPolarHBondContact O-CB 3.32Å; Q476-L480 PolarHBondContact O-N 3.12Å; L480-Q483 PolarHBondContact O-N 2.68Å; L480-L484 HydrophobicContact CD1-CD1 4.45Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CB 3.42Å; L480-L484 WeakPolarHBondContact O-CG 3.44Å; L480-L484 PolarHBondContact O-N 3.2Å
481N64.3Low74.6Confident81 Ų8191.4 Ų91.443%0.43344%0.435SS..Hα-helixtrans-66.2-41176.2-73.8-12.4000112.1T477 E478 L484 Q485T477-N481 WeakPolarHBondContact O-CB 3.35Å; T477-N481 PolarHBondContact O-N 2.76Å; T477-N481 PolarHBondContact O-ND2 3.24Å; T477-N481 PolarHBondContact O-OD1 2.81Å; E478-N481 PolarHBondContact O-N 3.24Å; N481-L484 PolarHBondContact O-N 3.4Å; N481-Q485 VanDerWaalsContact O-CB 3.27Å; N481-Q485 WeakPolarHBondContact O-CB 3.4Å; N481-Q485 WeakPolarHBondContact O-CG 3.27Å; N481-Q485 PolarHBondContact O-N 3.33Å
482A68.2Low74.6Confident56 Ų5696.6 Ų96.646%0.46346%0.457SS..Hα-helixtrans-64.8-43.4176.800000111.3E478 R479 Q485 W486E478-A482 VanDerWaalsContact O-CB 3.29Å; E478-A482 WeakPolarHBondContact O-CB 3.47Å; E478-A482 PolarHBondContact O-N 2.85Å; R479-A482 PolarHBondContact O-N 3.25Å; A482-Q485 PolarHBondContact O-N 3.05Å; A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.44Å
483Q74.3Confident74.9Confident107 Ų107102.7 Ų102.750%0.548%0.483SS..Hα-helixtrans-60.9-50.5173.4-177.3-177.9-14.900111.3R479 L480 Q485 W486 E487R479-Q483 WeakPolarHBondContact O-CB 3.33Å; R479-Q483 PolarHBondContact O-N 2.88Å; L480-Q483 PolarHBondContact O-N 2.68Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q483-W486 WeakPolarHBondContact O-CB 3.37Å; Q483-W486 PolarHBondContact O-N 3.21Å; Q483-W486 VanDerWaalsContact O-N 3.12Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.5Å; Q483-E487 PolarHBondContact NE2-OE1 2.99Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å
484L79Confident75.7Confident87 Ų87103.8 Ų103.846%0.45549%0.487SS..Hα-helixtrans-62.3-34.6178-73170.3000112.4L480 N481 L488L480-L484 HydrophobicContact CD1-CD1 4.45Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CB 3.42Å; L480-L484 WeakPolarHBondContact O-CG 3.44Å; L480-L484 PolarHBondContact O-N 3.2Å; N481-L484 PolarHBondContact O-N 3.4Å; L484-L488 WeakPolarHBondContact O-CB 2.92Å; L484-L488 PolarHBondContact O-N 3.35Å
485Q79.3Confident77.1Confident126 Ų126103.9 Ų103.959%0.58949%0.492SS*.Hα-helixtrans-67.9-39.7173.3-79.5177.8-2.100111.9N481 A482 Q483 N489N481-Q485 VanDerWaalsContact O-CB 3.27Å; N481-Q485 WeakPolarHBondContact O-CB 3.4Å; N481-Q485 WeakPolarHBondContact O-CG 3.27Å; N481-Q485 PolarHBondContact O-N 3.33Å; A482-Q485 PolarHBondContact O-N 3.05Å; Q483-Q485 VanDerWaalsContact C-N 3.29Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q485-N489 WeakPolarHBondContact O-CB 3.48Å; Q485-N489 PolarHBondContact O-N 2.96Å; Q485-N489 PolarHBondContact O-ND2 3.25Å
486W79.9Confident78.8Confident178 Ų178101.2 Ų101.267%0.67449%0.491SS*.Hα-helixtrans-64.6-50.6174.9-177.891.8000111.2A482 Q483 L488 N489 V490A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.44Å; Q483-W486 WeakPolarHBondContact O-CB 3.37Å; Q483-W486 PolarHBondContact O-N 3.21Å; Q483-W486 VanDerWaalsContact O-N 3.12Å; W486-L488 VanDerWaalsContact C-N 3.32Å; W486-L488 PolarHBondContact O-N 3Å; W486-N489 PolarHBondContact O-N 3.38Å; W486-V490 HydrophobicContact CD2-CG2 4.07Å; W486-V490 HydrophobicContact CE3-CG2 4.2Å; W486-V490 HydrophobicContact CH2-CG2 4.09Å; W486-V490 HydrophobicContact CZ2-CG2 3.95Å; W486-V490 HydrophobicContact CZ3-CG2 4.21Å; W486-V490 WeakPolarHBondContact O-CG2 3.26Å; W486-V490 PolarHBondContact O-N 2.69Å
487E85.3Confident80.6Confident82 Ų82100.5 Ų100.538%0.38349%0.489SS..Hα-helixtrans-56.5-45.1175.6-70.8175.5-166.900111.4Q483 N489 V490 E491Q483-E487 WeakPolarHBondContact CG-OE1 3.5Å; Q483-E487 PolarHBondContact NE2-OE1 2.99Å; Q483-E487 WeakPolarHBondContact O-CG 3.48Å; Q483-E487 PolarHBondContact O-N 3.46Å; E487-N489 VanDerWaalsContact C-N 3.33Å; E487-N489 PolarHBondContact O-N 2.63Å; E487-V490 PolarHBondContact O-N 2.82Å; E487-E491 PolarHBondContact O-N 2.74Å
488L90.3Very high82.4Confident90 Ų90102.8 Ų102.847%0.47150%0.498SS..Hα-helixtrans-61.8-37.9175.7178.463.8000112.6L484 W486 K492L484-L488 WeakPolarHBondContact O-CB 2.92Å; L484-L488 PolarHBondContact O-N 3.35Å; W486-L488 VanDerWaalsContact C-N 3.32Å; W486-L488 PolarHBondContact O-N 3Å; L488-K492 HydrophobicContact CG-CD 4.28Å; L488-K492 WeakPolarHBondContact O-CB 3.47Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 3.27Å
489N90.1Very high84.1Confident92 Ų92103.3 Ų103.349%0.49250%0.5SS..Hα-helixtrans-72.9-36.8178.5-71.4-19.9000111.9Q485 W486 E487 K492 F493Q485-N489 WeakPolarHBondContact O-CB 3.48Å; Q485-N489 PolarHBondContact O-N 2.96Å; Q485-N489 PolarHBondContact O-ND2 3.25Å; W486-N489 PolarHBondContact O-N 3.38Å; E487-N489 VanDerWaalsContact C-N 3.33Å; E487-N489 PolarHBondContact O-N 2.63Å; N489-K492 PolarHBondContact O-N 3.43Å; N489-F493 PolarHBondContact O-N 3.34Å
490V92.9Very high85.6Confident38 Ų38100.5 Ų100.523%0.2349%0.493CS..Hα-helixtrans-61.7-46.9172.2171.30000110.9W486 E487 F493 R494W486-V490 HydrophobicContact CD2-CG2 4.07Å; W486-V490 HydrophobicContact CE3-CG2 4.2Å; W486-V490 HydrophobicContact CH2-CG2 4.09Å; W486-V490 HydrophobicContact CZ2-CG2 3.95Å; W486-V490 HydrophobicContact CZ3-CG2 4.21Å; W486-V490 WeakPolarHBondContact O-CG2 3.26Å; W486-V490 PolarHBondContact O-N 2.69Å; E487-V490 PolarHBondContact O-N 2.82Å; V490-F493 PolarHBondContact O-N 3.11Å; V490-R494 WeakPolarHBondContact O-CG 3.28Å; V490-R494 PolarHBondContact O-N 2.88Å
491E89.9Confident87Confident94 Ų94101.1 Ų101.144%0.43949%0.494SS..Hα-helixtrans-68.6-35.9178.1-74.8-55.5135.300113.3E487 F493 R494 T495E487-E491 PolarHBondContact O-N 2.74Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 2.79Å; E491-R494 PolarHBondContact O-N 3.24Å; E491-R494 WeakPolarHBondContact OE1-CD 3.4Å; E491-R494 IonicContact OE1-CZ 3.78Å; E491-R494 IonicContact OE1-NE 3.65Å; E491-R494 IonicContact OE1-NH1 3.89Å; E491-R494 PolarHBondContact OE1-NH1 3.37Å; E491-T495 WeakPolarHBondContact O-CB 3.39Å; E491-T495 PolarHBondContact O-N 3.15Å; E491-T495 PolarHBondContact O-OG1 3.15Å
492K92.4Very high88.3Confident118 Ų118101.4 Ų101.451%0.51350%0.495SS..Hα-helixtrans-59.1-43.8170.2-78.7168.6-179.3170.30111.8L488 N489 T495 A496L488-K492 HydrophobicContact CG-CD 4.28Å; L488-K492 WeakPolarHBondContact O-CB 3.47Å; L488-K492 WeakPolarHBondContact O-CG 3.43Å; L488-K492 PolarHBondContact O-N 3.27Å; N489-K492 PolarHBondContact O-N 3.43Å; K492-T495 PolarHBondContact O-N 3.36Å; K492-A496 PolarHBondContact O-N 3.22Å
493F92.4Very high89.5Confident140 Ų140104.3 Ų104.361%0.61450%0.499SS*.Hα-helixtrans-65.8-44.1178.2-176.1-95.7000112.1N489 V490 E491 T495 A496 M497N489-F493 PolarHBondContact O-N 3.34Å; V490-F493 PolarHBondContact O-N 3.11Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 2.79Å; F493-T495 VanDerWaalsContact C-N 3.32Å; F493-T495 PolarHBondContact O-N 3.44Å; F493-A496 PolarHBondContact O-N 3.43Å; F493-M497 HydrophobicContact CD1-CG 4.34Å; F493-M497 HydrophobicContact CE1-CG 3.89Å; F493-M497 HydrophobicContact CE1-SD 4.44Å; F493-M497 HydrophobicContact CZ-CG 4.17Å; F493-M497 HydrophobicContact CZ-SD 4.49Å; F493-M497 PolarHBondContact O-N 2.84Å
494R92.5Very high90.3Very high139 Ų139104 Ų10453%0.52550%0.497SS..Hα-helixtrans-57.8-43.6173.4-73.7172.6175.3163.12.5112V490 E491 M497 L498V490-R494 WeakPolarHBondContact O-CG 3.28Å; V490-R494 PolarHBondContact O-N 2.88Å; E491-R494 PolarHBondContact O-N 3.24Å; E491-R494 WeakPolarHBondContact OE1-CD 3.4Å; E491-R494 IonicContact OE1-CZ 3.78Å; E491-R494 IonicContact OE1-NE 3.65Å; E491-R494 IonicContact OE1-NH1 3.89Å; E491-R494 PolarHBondContact OE1-NH1 3.37Å; R494-M497 PolarHBondContact O-N 3.24Å; R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 3.14Å; R494-L498 VanDerWaalsContact O-N 3.13Å
495T93.1Very high90.7Very high67 Ų67102.6 Ų102.641%0.41150%0.498SS..Hα-helixtrans-63.1-47.9178-54.30000111E491 K492 F493 M497 L498 E499E491-T495 WeakPolarHBondContact O-CB 3.39Å; E491-T495 PolarHBondContact O-N 3.15Å; E491-T495 PolarHBondContact O-OG1 3.15Å; K492-T495 PolarHBondContact O-N 3.36Å; F493-T495 VanDerWaalsContact C-N 3.32Å; F493-T495 PolarHBondContact O-N 3.44Å; T495-M497 VanDerWaalsContact C-N 3.33Å; T495-M497 PolarHBondContact O-N 3.23Å; T495-L498 PolarHBondContact O-N 3.04Å; T495-E499 HydrophobicContact CG2-CG 4.46Å; T495-E499 WeakPolarHBondContact O-CG 3.17Å; T495-E499 PolarHBondContact O-N 3.46Å
496A94.8Very high91.2Very high54 Ų54104 Ų10445%0.44650%0.498SS..Hα-helixtrans-62.5-36.217900000113.4K492 F493 K500K492-A496 PolarHBondContact O-N 3.22Å; F493-A496 PolarHBondContact O-N 3.43Å; A496-K500 WeakPolarHBondContact O-CB 3.44Å; A496-K500 PolarHBondContact O-N 3.34Å; A496-K500 VanDerWaalsContact O-N 3.07Å
497M93.2Very high91.6Very high98 Ų98101.2 Ų101.248%0.48349%0.493SS..Hα-helixtrans-60.5-50.8171.5-81.5-98.5-67.400111.7F493 R494 T495 E499 K500 E501F493-M497 HydrophobicContact CD1-CG 4.34Å; F493-M497 HydrophobicContact CE1-CG 3.89Å; F493-M497 HydrophobicContact CE1-SD 4.44Å; F493-M497 HydrophobicContact CZ-CG 4.17Å; F493-M497 HydrophobicContact CZ-SD 4.49Å; F493-M497 PolarHBondContact O-N 2.84Å; R494-M497 PolarHBondContact O-N 3.24Å; T495-M497 VanDerWaalsContact C-N 3.33Å; T495-M497 PolarHBondContact O-N 3.23Å; M497-E499 VanDerWaalsContact C-N 3.34Å; M497-E499 PolarHBondContact O-N 3.28Å; M497-K500 WeakPolarHBondContact O-CB 3.25Å; M497-K500 PolarHBondContact O-N 3.09Å; M497-E501 PolarHBondContact O-N 2.94Å
498L93.1Very high91.5Very high112 Ų112100.7 Ų100.759%0.58650%0.502SS*.Hα-helixtrans-65.4-35.7-179.6-69.6170.6000112.6R494 T495 L502R494-L498 WeakPolarHBondContact O-CG 3.43Å; R494-L498 PolarHBondContact O-N 3.14Å; R494-L498 VanDerWaalsContact O-N 3.13Å; T495-L498 PolarHBondContact O-N 3.04Å; L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 PolarHBondContact O-N 3.28Å
499E94Very high91.1Very high123 Ų123100.5 Ų100.558%0.57551%0.514SS*.Hα-helixtrans-64.3-40.6173.4-74.4179.7160.700111.9T495 M497 L502 Q503T495-E499 HydrophobicContact CG2-CG 4.46Å; T495-E499 WeakPolarHBondContact O-CG 3.17Å; T495-E499 PolarHBondContact O-N 3.46Å; M497-E499 VanDerWaalsContact C-N 3.34Å; M497-E499 PolarHBondContact O-N 3.28Å; E499-L502 PolarHBondContact O-N 2.74Å; E499-Q503 WeakPolarHBondContact O-CB 3.19Å; E499-Q503 PolarHBondContact O-N 3.49Å
500K94Very high90.5Very high133 Ų133103.1 Ų103.158%0.57853%0.527SS*.Hα-helixtrans-64-49.4174.4-178.2-177.7166.8-173.30111.6A496 M497 L502 Q503 E504A496-K500 WeakPolarHBondContact O-CB 3.44Å; A496-K500 PolarHBondContact O-N 3.34Å; A496-K500 VanDerWaalsContact O-N 3.07Å; M497-K500 WeakPolarHBondContact O-CB 3.25Å; M497-K500 PolarHBondContact O-N 3.09Å; K500-L502 VanDerWaalsContact C-N 3.3Å; K500-L502 PolarHBondContact O-N 3.24Å; K500-Q503 PolarHBondContact O-N 3.43Å; K500-Q503 VanDerWaalsContact O-N 3.09Å; K500-E504 WeakPolarHBondContact CE-OE1 3.22Å; K500-E504 IonicContact NZ-OE1 2.67Å; K500-E504 WeakPolarHBondContact O-CG 3.44Å; K500-E504 PolarHBondContact O-N 3.39Å
501E93.3Very high89.1Confident109 Ų109105.1 Ų105.151%0.50954%0.543SS..Hα-helixtrans-58.3-42.2175.9-72.7-178.2177.100111.8M497 Q503 E504 A505M497-E501 PolarHBondContact O-N 2.94Å; E501-Q503 VanDerWaalsContact C-N 3.31Å; E501-Q503 PolarHBondContact O-N 3.31Å; E501-E504 PolarHBondContact O-N 3.22Å; E501-A505 VanDerWaalsContact O-CB 3.27Å; E501-A505 WeakPolarHBondContact O-CB 3.29Å; E501-A505 PolarHBondContact O-N 3.18Å
502L92.6Very high87.6Confident86 Ų86106 Ų10645%0.4556%0.557SS.*Hα-helixtrans-62.4-38.2175.6-178.467.4000111.8L498 E499 K500 R506L498-L502 WeakPolarHBondContact O-CB 3.37Å; L498-L502 PolarHBondContact O-N 3.28Å; E499-L502 PolarHBondContact O-N 2.74Å; K500-L502 VanDerWaalsContact C-N 3.3Å; K500-L502 PolarHBondContact O-N 3.24Å; L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.5Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.38Å
503Q92.4Very high85.7Confident117 Ų117109.9 Ų109.955%0.54757%0.574SS.*Hα-helixtrans-71.9-41.4178.1-174.1156-34.600112.1E499 K500 E501 R506 Q507E499-Q503 WeakPolarHBondContact O-CB 3.19Å; E499-Q503 PolarHBondContact O-N 3.49Å; K500-Q503 PolarHBondContact O-N 3.43Å; K500-Q503 VanDerWaalsContact O-N 3.09Å; E501-Q503 VanDerWaalsContact C-N 3.31Å; E501-Q503 PolarHBondContact O-N 3.31Å; Q503-R506 PolarHBondContact O-N 3.34Å; Q503-Q507 WeakPolarHBondContact O-CG 3.21Å; Q503-Q507 PolarHBondContact O-N 3.12Å
504E91.9Very high83.7Confident101 Ų101112 Ų11247%0.47259%0.585SS.*Hα-helixtrans-62.8-44.9172.8-71.6177.5-177.900111.3K500 E501 R506 Q507 A508K500-E504 WeakPolarHBondContact CE-OE1 3.22Å; K500-E504 IonicContact NZ-OE1 2.67Å; K500-E504 WeakPolarHBondContact O-CG 3.44Å; K500-E504 PolarHBondContact O-N 3.39Å; E501-E504 PolarHBondContact O-N 3.22Å; E504-R506 VanDerWaalsContact C-N 3.34Å; E504-R506 PolarHBondContact O-N 3.5Å; E504-Q507 PolarHBondContact O-N 2.97Å; E504-A508 WeakPolarHBondContact O-CB 3.46Å; E504-A508 PolarHBondContact O-N 3.21Å
505A88.5Confident81.4Confident58 Ų58112.9 Ų112.948%0.47960%0.601SS.*Hα-helixtrans-61.9-38.9175.600000112.6E501 A509E501-A505 VanDerWaalsContact O-CB 3.27Å; E501-A505 WeakPolarHBondContact O-CB 3.29Å; E501-A505 PolarHBondContact O-N 3.18Å; A505-A509 WeakPolarHBondContact O-CB 3.36Å; A505-A509 PolarHBondContact O-N 3.19Å
506R89.8Confident78.9Confident154 Ų154118 Ų11858%0.58163%0.625SS**Hα-helixtrans-64.1-43.5173-77.9167.8175.9178.70.1112L502 Q503 E504 A509 L510L502-R506 WeakPolarHBondContact O-CB 3.31Å; L502-R506 WeakPolarHBondContact O-CD 3.5Å; L502-R506 WeakPolarHBondContact O-CG 3.26Å; L502-R506 PolarHBondContact O-N 3.38Å; Q503-R506 PolarHBondContact O-N 3.34Å; E504-R506 VanDerWaalsContact C-N 3.34Å; E504-R506 PolarHBondContact O-N 3.5Å; R506-A509 PolarHBondContact O-N 2.92Å; R506-L510 WeakPolarHBondContact O-CD1 3.47Å; R506-L510 WeakPolarHBondContact O-CG 3.15Å; R506-L510 PolarHBondContact O-N 3.44Å; R506-L510 VanDerWaalsContact O-N 3.16Å
507Q87.8Confident76.5Confident120 Ų120121.1 Ų121.156%0.56164%0.643SS**Hα-helixtrans-65.3-42.6176.7-72.4177.44.900111.7Q503 E504 A509 L510 S511Q503-Q507 WeakPolarHBondContact O-CG 3.21Å; Q503-Q507 PolarHBondContact O-N 3.12Å; E504-Q507 PolarHBondContact O-N 2.97Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.47Å; Q507-L510 PolarHBondContact O-N 2.87Å; Q507-L510 VanDerWaalsContact O-N 3.15Å; Q507-S511 PolarHBondContact O-N 3.15Å
508A83.7Confident73.9Confident71 Ų71121.4 Ų121.459%0.58766%0.661SS**Hα-helixtrans-62.1-38.4175.300000112.4E504 L510 S511E504-A508 WeakPolarHBondContact O-CB 3.46Å; E504-A508 PolarHBondContact O-N 3.21Å; A508-L510 VanDerWaalsContact C-N 3.29Å; A508-L510 PolarHBondContact O-N 3.38Å; A508-S511 WeakPolarHBondContact O-CB 3.38Å; A508-S511 PolarHBondContact O-N 2.88Å
509A79.9Confident71.4Confident86 Ų86120.7 Ų120.771%0.71167%0.671SS**Hα-helixtrans-69.3-22.9175.500000114A505 R506 Q507A505-A509 WeakPolarHBondContact O-CB 3.36Å; A505-A509 PolarHBondContact O-N 3.19Å; R506-A509 PolarHBondContact O-N 2.92Å; Q507-A509 VanDerWaalsContact C-N 3.33Å; Q507-A509 PolarHBondContact O-N 3.47Å
510L78.9Confident68.6Low147 Ų147123.3 Ų123.377%0.7769%0.688SS**Hα-helixtrans-91.1-4.9176.5-70166000113.2R506 Q507 A508R506-L510 WeakPolarHBondContact O-CD1 3.47Å; R506-L510 WeakPolarHBondContact O-CG 3.15Å; R506-L510 PolarHBondContact O-N 3.44Å; R506-L510 VanDerWaalsContact O-N 3.16Å; Q507-L510 PolarHBondContact O-N 2.87Å; Q507-L510 VanDerWaalsContact O-N 3.15Å; A508-L510 VanDerWaalsContact C-N 3.29Å; A508-L510 PolarHBondContact O-N 3.38Å
511S62.5Low65.9Low80 Ų80126.2 Ų126.256%0.55970%0.701SS**SBendtrans-77.3130.3178.8-172.40000112Q507 A508 K513Q507-S511 PolarHBondContact O-N 3.15Å; A508-S511 WeakPolarHBondContact O-CB 3.38Å; A508-S511 PolarHBondContact O-N 2.88Å; S511-K513 PolarHBondContact O-N 3.2Å
512P59Low64.5Low114 Ų114126.5 Ų126.574%0.7471%0.712SS**  trans-68.2125.5179.3-17.530.7000112Q514P512-Q514 PolarHBondContact O-N 3.39Å; P512-Q514 VanDerWaalsContact O-N 3.1Å
513K53.2Low62.2Low198 Ų198127.8 Ų127.886%0.86173%0.726SS**  trans-63.8112.1169.3-71.4-175.91781800109.8S511 N515S511-K513 PolarHBondContact O-N 3.2Å; K513-N515 PolarHBondContact O-N 3.35Å
514Q48.8Very low59.5Low184 Ų184126.8 Ų126.886%0.8673%0.731SS**  trans-67.7123.5169-73-174.4-15.800109.9P512 L516P512-Q514 PolarHBondContact O-N 3.39Å; P512-Q514 VanDerWaalsContact O-N 3.1Å; Q514-L516 PolarHBondContact O-N 3.3Å
515N44.7Very low57Low158 Ų158131.5 Ų131.585%0.84575%0.75SS**  trans-75.4118.5173.6-75.4-38.7000110K513K513-N515 PolarHBondContact O-N 3.35Å
516L41.6Very low54.4Low176 Ų176135.2 Ų135.292%0.92177%0.767SS**  trans-111.3106.3162.1-91.4159.7000108.6Q514Q514-L516 PolarHBondContact O-N 3.3Å
517S42.7Very low51.7Low118 Ų118131.3 Ų131.383%0.82578%0.775SS**  trans-109.9116.5175.955.20000111.3
518A39.2Very low49.2Very low104 Ų104131.5 Ų131.586%0.8679%0.789SS**  trans-150.4126.5154.300000108.7
519A40.7Very low47.1Very low97 Ų97134.6 Ų134.680%0.80280%0.8SS**  trans-90.6147.5179.800000111.2
520L35.7Very low45.6Very low178 Ų178136.2 Ų136.293%0.93280%0.804SS**  trans-167.8141.6148.6-99.3152.4000109
521K37.6Very low44.1Very low195 Ų195140.4 Ų140.485%0.84881%0.809SS**  trans-127.1176.6175.8-67.6-176.7171.7178.70108.6
522P64.2Low43Very low114 Ų114143.8 Ų143.874%0.7483%0.827SS**  -119.2-172-74.839.8-22.7000110
523P44.2Very low42Very low114 Ų114141.8 Ų141.874%0.7483%0.827SS**  -157.8155.489.140.6-20.3000119.2
524S36Very low41.6Very low95 Ų95144.5 Ų144.566%0.66483%0.832SS**  trans57.5128.6138.268.90000125.7
525K38.9Very low41.1Very low201 Ų201145.4 Ų145.487%0.87483%0.833SS**  trans72.5142.3135-77.3-179.1-179.9-177.70117.8
526V34.3Very low40.9Very low136 Ų136146.5 Ų146.582%0.82484%0.838SS**  cis-149.11475.8-177.20000110.6
527G33Very low41.1Very low72 Ų72144.1 Ų144.174%0.74283%0.83SS**  trans71.7157.2153.300000118.1
528S34.3Very low40.7Very low124 Ų124142.1 Ų142.187%0.86783%0.828SS**  cis-153172.3-4.154.50000111.4
529V39.7Very low40.8Very low136 Ų136149.1 Ų149.182%0.82483%0.832SS**  trans-111.1167.7-166.9164.80000108.7
530P49Very low40.9Very low120 Ų120154.4 Ų154.478%0.77984%0.837SS**  cis-132.7178.39.217.810000119.1
531R45.8Very low41.1Very low235 Ų235152.7 Ų152.789%0.88783%0.834SS**  trans-65.6157.5168.9-49.5146.579.11638.4114.4
532T39.8Very low41.2Very low151 Ų151148.2 Ų148.293%0.92683%0.833SS**  trans-134.9142132.949.90000109.7
533G38.3Very low40.2Very low72 Ų72154.3 Ų154.374%0.74284%0.842SS**  trans-152.8161.5175.700000112.4
534R45.5Very low40Very low255 Ų255154.6 Ų154.696%0.96285%0.846SS**  trans-135.2130165.5-69.3-168.9177.3-157.8-0109.2
535K37.1Very low40.2Very low203 Ų203156.6 Ų156.688%0.88385%0.854SS**  trans-80.2137.8172.7-76.2178.6170.9-1790109.4
536L41.8Very low40.2Very low181 Ų181152.3 Ų152.395%0.94885%0.849SS**  trans-88.1129.1161.6-107.3147000109
537V44.3Very low40.4Very low126 Ų126156 Ų15676%0.76486%0.855SS**  trans-106.4124.3176.3176.20000107.9
538G35.6Very low40.5Very low75 Ų75155.9 Ų155.977%0.77385%0.854SS**  trans-69.1144.5-178.600000113.2
539R41.5Very low40.6Very low251 Ų251156.2 Ų156.295%0.94786%0.855SS**  trans-122146.7164.9-106.9-178.4167.1-174.7-4.8110.3
540K43Very low41.2Very low209 Ų209156 Ų15691%0.90986%0.857SS**PPolyproline II helixtrans-77.5147.3-163.7-63175.2178.2178.60112.2
541T40.1Very low40.7Very low142 Ų142153.9 Ų153.987%0.87186%0.856SS**PPolyproline II helixtrans-70.1141.2172.239.50000112
542A39.2Very low40.8Very low101 Ų101154.5 Ų154.584%0.83586%0.86SS**PPolyproline II helixtrans-96.2145.7166.400000109.7
543R41.8Very low40.9Very low242 Ų242150.6 Ų150.691%0.91385%0.85SS**PPolyproline II helixtrans-81.6148.8-172.8-71.5176.8171.4170.2-5.2112.6
544S41.5Very low41Very low120 Ų120158.1 Ų158.184%0.83988%0.881SS**PPolyproline II helixtrans-68.5152.9169.744.60000112.3
545V39.5Very low40.8Very low136 Ų136153.3 Ų153.382%0.82488%0.876SS**  trans-107.8121177.3-168.90000108.8
546S39.9Very low40.9Very low111 Ų111150.6 Ų150.678%0.77688%0.876SS**  trans-99128.1177.353.70000111.3
547F37Very low40.9Very low213 Ų213148.9 Ų148.993%0.93487%0.872SS**  trans-72.6139.4170.3-82.2-99.1000111.1
548G34.9Very low40.7Very low71 Ų71150.3 Ų150.373%0.73288%0.879SS**  trans-123.1135.717100000111.3
549C37.3Very low41Very low130 Ų130155 Ų15588%0.87889%0.885SS**PPolyproline II helixtrans-80.4142.3170.6-65.80000111.1
550P51.6Low41Very low133 Ų133148.6 Ų148.686%0.86488%0.881SS**PPolyproline II helixtrans-88.1137.21599.58.5000110.9
551G39.6Very low40.8Very low74 Ų74144.3 Ų144.376%0.76388%0.879SS**PPolyproline II helixtrans-91.9173.7171.400000113.4
552Y47.3Very low40.9Very low249 Ų249144.5 Ų144.598%0.97688%0.88SS**PPolyproline II helixtrans-64.7154178.2-82.3-102.1000114
553G43.1Very low41Very low69 Ų69148.1 Ų148.171%0.71188%0.883SS**  trans-173.7107.6165.500000113.7
554V39.1Very low41Very low229 Ų229139.5 Ų139.5100%1.38888%0.881SS**  trans72.90178.1-164.10000115.6

Retrieved 554 of 554 residues in 152.8 ms (Link to these results)