A0A087X7Q2_POEFO Loading...

Phosphatase and actin regulator

AlphaFold DB , UniProt , Accession A0A087X7Q2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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
1M34Very low35.8Very low222 Ų222141 Ų141100%1.09479%0.791SS**  047.90-54.2-46.4-178.500111.8
2D37.8Very low36.2Very low133 Ų133144.2 Ų144.271%0.71180%0.803SS**  65.6135.2110.3-62.3-80.3000123.9
3Q38.2Very low36.5Very low168 Ų168144.4 Ų144.479%0.78581%0.81SS**  trans86.394.6150.8-72.517295.700120.4
4Q38.2Very low36.7Very low155 Ų155141.9 Ų141.972%0.72481%0.806SS**  20.3145.9102.5-65.4-178.8-21.600117
5R38.2Very low36.8Very low212 Ų212137.3 Ų137.380%0.880%0.803SS**  cis-175.1152.645.7-146.1-174.7-153.1117.4-0111.4
6A38.3Very low36.7Very low80 Ų80138 Ų13866%0.66180%0.8SS**  trans63.9155139.800000122
7L37.5Very low37.4Very low137 Ų137144.4 Ų144.472%0.71781%0.808SS**  cis-165.6155.1-22.2-101.6-177.3000108.7
8H31.6Very low38.2Very low170 Ų170143.1 Ų143.179%0.78780%0.804SS**  trans40.3135.4155.3-55.4-55.8000122.8
9S32Very low38.9Very low123 Ų123141.6 Ų141.686%0.8680%0.801SS**  177.6145.4109-171.80000113.9
10G31.3Very low39.7Very low75 Ų75140.5 Ų140.577%0.77380%0.8SS**  trans75.199.913400000119.8
11G36.9Very low40.1Very low76 Ų76140.6 Ų140.678%0.78480%0.803SS**  trans-95.6140.4156.400000111.3
12L39.8Very low40.8Very low179 Ų179141.3 Ų141.394%0.93779%0.794SS**  trans-141131.9161.4-83.5178.9000110.3
13V41Very low41.8Very low147 Ų147146.3 Ų146.389%0.89180%0.802SS**  trans-92.1127.7167.4167.30000108.2
14S38.5Very low42.3Very low109 Ų109145.7 Ų145.776%0.76281%0.805SS**  trans-156.2127.8151.6-169.90000109.7
15G38.5Very low43.2Very low73 Ų73142.3 Ų142.375%0.75380%0.798SS**  trans-92.9125.6178.500000111.1
16I36.1Very low44.2Very low149 Ų149142.1 Ų142.176%0.76480%0.803SS**  trans-127.5132.4165.9-61.3-178000109.7T18I16-T18 PolarHBondContact O-N 3.06Å
17R47.2Very low45.2Very low246 Ų246144.5 Ų144.593%0.92880%0.804SS**  trans-78102.9-174.7170.5-171.1172.3-163.5-0.1111.3
18T51.7Low46.1Very low121 Ų121142.2 Ų142.274%0.74281%0.805SS**  trans-140.7132.5165.139.10000111.1I16I16-T18 PolarHBondContact O-N 3.06Å
19P52.6Low47.3Very low115 Ų115138.5 Ų138.575%0.74780%0.798SS**PPolyproline II helixtrans-77152.1174.532.2-34.1000111.2
20P54.6Low48.5Very low120 Ų120138.6 Ų138.678%0.77979%0.788SS**PPolyproline II helixtrans-66.8147.5-177.826.6-34.5000113.2R22P20-R22 PolarHBondContact O-N 2.76Å
21V47.4Very low49.8Very low142 Ų142138.4 Ų138.486%0.86179%0.786SS**PPolyproline II helixtrans-52.8128-179.7170.90000111.7R23V21-R23 PolarHBondContact O-N 3.04Å
22R49.5Very low51.1Low238 Ų238145.2 Ų145.290%0.89879%0.788SS**  trans-74.1110.9179.8-55.7-165.884.5-172.26.8110.9P20 N24P20-R22 PolarHBondContact O-N 2.76Å; R22-N24 PolarHBondContact O-N 2.8Å
23R57.8Low52.3Low237 Ų237143.4 Ų143.489%0.89478%0.778SS**  trans-64.2123.3161.3-76.6173.863.7140.8-3.6109.4V21 S25V21-R23 PolarHBondContact O-N 3.04Å; R23-S25 PolarHBondContact O-N 3.47Å
24N49.4Very low53Low156 Ų156145.6 Ų145.683%0.83478%0.776SS**  trans-78.275.5-178.153.1-13.5000112.3R22R22-N24 PolarHBondContact O-N 2.8Å
25S56.6Low54.2Low84 Ų84149.2 Ų149.259%0.58778%0.778SS**  trans-71.8126.2171.6-176.70000111.7R23 L27R23-S25 PolarHBondContact O-N 3.47Å; S25-L27 PolarHBondContact O-N 3.21Å
26K60.9Low55.1Low207 Ų207150.6 Ų150.690%0.977%0.774SS**THydrogen-bonded Turntrans-72.717.3-178.7-65.8-177.8177.3178.80114.7
27L58.4Low56.1Low130 Ų130154.4 Ų154.468%0.68178%0.779SS**THydrogen-bonded Turntrans-107.19.9-179-61.9178.7000113.9S25 S29S25-L27 PolarHBondContact O-N 3.21Å; L27-S29 PolarHBondContact O-N 3.47Å; L27-S29 VanDerWaalsContact O-N 3.07Å
28A57.1Low57.1Low89 Ų89151.2 Ų151.274%0.73677%0.771SS**G310 helixtrans-66.3-5.4-179.700000115
29S55.1Low57.1Low93 Ų93156.4 Ų156.465%0.6578%0.777SS**G310 helixtrans-77.7-23.7-179.654.40000114.6L27 G31L27-S29 PolarHBondContact O-N 3.47Å; L27-S29 VanDerWaalsContact O-N 3.07Å; S29-G31 VanDerWaalsContact C-N 3.29Å; S29-G31 PolarHBondContact O-N 3.07Å
30L59Low57.1Low125 Ų125162.4 Ų162.465%0.65479%0.785SS**G310 helixtrans-77.4-8.8-179.8-83.392.4000114.3R32L30-R32 PolarHBondContact O-N 3.4Å
31G57.6Low57.2Low71 Ų71166.3 Ų166.373%0.73279%0.79SS**THydrogen-bonded Turntrans-74.712.9-174.200000116.8S29S29-G31 VanDerWaalsContact C-N 3.29Å; S29-G31 PolarHBondContact O-N 3.07Å
32R64.9Low57.6Low219 Ų219168.7 Ų168.783%0.82679%0.789SS**THydrogen-bonded Turntrans-115.56.8-171.1-56.5-172.886.7-1668115.5L30L30-R32 PolarHBondContact O-N 3.4Å
33I64.1Low57.5Low140 Ų140166.8 Ų166.872%0.71879%0.787SS**SBendtrans-82.3-31-176.9-53.4178.7000111.8K35I33-K35 PolarHBondContact O-N 2.83Å
34F55.8Low56.9Low193 Ų193160.9 Ų160.985%0.84678%0.782SS**SBendtrans-91.489.3166.7-76.6-86.7000110.5P36F34-P36 WeakPolarHBondContact O-CD 3.3Å
35K64Low56.5Low186 Ų186162 Ų16281%0.80978%0.782SS**  trans-53.1121.2156.6-70.6171.4179170.10106.5I33 W37I33-K35 PolarHBondContact O-N 2.83Å; K35-W37 PolarHBondContact O-N 3.06Å
36P56.7Low56.3Low101 Ų101167.3 Ų167.366%0.65680%0.795SS**  trans-57.7129.7176.523.6-32.6000107.9F34 K38F34-P36 WeakPolarHBondContact O-CD 3.3Å; P36-K38 PolarHBondContact O-N 3.37Å
37W58.8Low55.4Low230 Ų230163.1 Ų163.187%0.87179%0.789SS**  trans-67.280.9-170.3-159.5-11.2000109.8K35 W39K35-W37 PolarHBondContact O-N 3.06Å; W37-W39 VanDerWaalsContact O-CD1 3.31Å; W37-W39 PolarHBondContact O-N 3.06Å
38K67.8Low54.9Low179 Ų179168 Ų16878%0.77880%0.798SS**  trans-73.598.9-179.8-73.8-168.6178-174.30108P36 R40P36-K38 PolarHBondContact O-N 3.37Å; K38-R40 PolarHBondContact O-N 2.88Å
39W52Low54.2Low229 Ų229169.2 Ų169.287%0.86780%0.798SS**  trans-49.5101164.7-66.778.7000108.9W37 K41W37-W39 VanDerWaalsContact O-CD1 3.31Å; W37-W39 PolarHBondContact O-N 3.06Å; W39-K41 PolarHBondContact O-N 3.42Å
40R52Low53.6Low241 Ų241170.8 Ų170.891%0.90981%0.806SS**  trans-61105.2166.7-89.7-83.8-161-170.34.4105.6K38 K42K38-R40 PolarHBondContact O-N 2.88Å; R40-K42 VanDerWaalsContact C-N 3.29Å; R40-K42 PolarHBondContact O-N 3.33Å
41K56.4Low52.8Low203 Ų203168.1 Ų168.188%0.88381%0.81SS**  trans-59.194.1172-175.6176-177.7175.60108.1W39 K43W39-K41 PolarHBondContact O-N 3.42Å; K41-K43 PolarHBondContact O-N 2.87Å; K41-K43 VanDerWaalsContact O-N 3.09Å
42K55.3Low51.8Low192 Ų192171 Ų17184%0.83581%0.812SS**  trans-55.9114.8172.5-174.2173-179.4177.90106.2R40 S44R40-K42 VanDerWaalsContact C-N 3.29Å; R40-K42 PolarHBondContact O-N 3.33Å; K42-S44 PolarHBondContact O-N 3.07Å; K42-S44 VanDerWaalsContact O-N 3.15Å
43K48.8Very low50.3Low198 Ų198165.4 Ų165.486%0.86181%0.813SS**  trans-59.3120.1166.5-80.4-177.2173.7-179.60105.4K41 E45K41-K43 PolarHBondContact O-N 2.87Å; K41-K43 VanDerWaalsContact O-N 3.09Å; K43-E45 PolarHBondContact O-N 3.34Å; K43-E45 VanDerWaalsContact O-N 3.12Å
44S45Very low49.3Very low112 Ų112166.7 Ų166.778%0.78382%0.816SS**  trans-64.6112165.236.80000107.1K42K42-S44 PolarHBondContact O-N 3.07Å; K42-S44 VanDerWaalsContact O-N 3.15Å
45E39.4Very low48.7Very low181 Ų181167.1 Ų167.185%0.84682%0.818SS**PPolyproline II helixtrans-56.9136.1157.2-170.1169.3-15500107.7K43 P47K43-E45 PolarHBondContact O-N 3.34Å; K43-E45 VanDerWaalsContact O-N 3.12Å; E45-P47 VanDerWaalsContact O-CD 3.26Å; E45-P47 WeakPolarHBondContact O-CD 3.45Å
46K52.8Low47.4Very low195 Ų195168.2 Ų168.285%0.84882%0.822SS**PPolyproline II helixtrans-76.5116.5-178-112.7147.9171.1175.90107.8R48K46-R48 PolarHBondContact O-N 2.84Å
47P43.3Very low46.2Very low119 Ų119168 Ų16877%0.77383%0.83SS**PPolyproline II helixtrans-62.1129.9162.827.5-31.9000107.5E45E45-P47 VanDerWaalsContact O-CD 3.26Å; E45-P47 WeakPolarHBondContact O-CD 3.45Å
48R46.3Very low44.9Very low231 Ų231161.9 Ų161.987%0.87283%0.827SS**PPolyproline II helixtrans-61.5144.9167.9-59.1-167.2-158.7-179.58108.3K46K46-R48 PolarHBondContact O-N 2.84Å
49P42.4Very low43.1Very low115 Ų115159.6 Ų159.675%0.74783%0.828SS**PPolyproline II helixtrans-63.7133.3166.928.2-32.8000109.1
50P44.1Very low42.3Very low126 Ų126160.2 Ų160.282%0.81883%0.831SS**PPolyproline II helixtrans-62.7136.7164.527.4-32.2000108.7
51G40.7Very low41.2Very low70 Ų70158 Ų15872%0.72283%0.831SS**PPolyproline II helixtrans-64.1153.1-17800000112.7A53G51-A53 PolarHBondContact O-N 3.21Å
52V37.3Very low39.9Very low131 Ų131156.5 Ų156.579%0.79482%0.824SS**  trans-57.7114169.6172.50000109.2E54V52-E54 HydrophobicContact CG1-CG 3.74Å
53A33.4Very low38.6Very low102 Ų102156.6 Ų156.684%0.84382%0.819SS**  trans-102.490.6168.700000108.8G51 K55G51-A53 PolarHBondContact O-N 3.21Å; A53-K55 PolarHBondContact O-N 3.05Å
54E42.3Very low37.8Very low166 Ų166153.6 Ų153.678%0.77681%0.812SS**  trans-72.3125.6177.1-86.3172159.800112.2V52 K56V52-E54 HydrophobicContact CG1-CG 3.74Å; E54-K56 PolarHBondContact O-N 3.44Å
55K43.8Very low37.1Very low203 Ų203157 Ų15788%0.88382%0.816SS**  trans5.6103.3147.4-60172.4-179.5174.70116A53A53-K55 PolarHBondContact O-N 3.05Å
56K38Very low36.7Very low208 Ų208155.8 Ų155.890%0.90481%0.814SS**  trans-133.4106.5143.2-73.2-162.1175.4-176.30110.6E54E54-K56 PolarHBondContact O-N 3.44Å
57A31.1Very low35.6Very low98 Ų98152 Ų15281%0.8181%0.808SS**  trans-73.3124.3169.800000109.3V59A57-V59 PolarHBondContact O-N 2.77Å
58A30.6Very low35.1Very low100 Ų100155.3 Ų155.383%0.82681%0.81SS**  trans-84.396.1172.400000109.7R60A58-R60 PolarHBondContact O-N 3.46Å
59V30.1Very low34.5Very low131 Ų131155.7 Ų155.779%0.79481%0.811SS**PPolyproline II helixtrans-67.9121.9169.6172.20000108.8A57 Q61A57-V59 PolarHBondContact O-N 2.77Å; V59-Q61 PolarHBondContact O-N 3.22Å
60R34.5Very low33.8Very low243 Ų243155.6 Ų155.692%0.91781%0.814SS**PPolyproline II helixtrans-70.5122.3172-81.8175.8148.8169.7-7.2109.9A58A58-R60 PolarHBondContact O-N 3.46Å
61Q30.5Very low33.5Very low195 Ų195155.8 Ų155.891%0.91182%0.815SS**PPolyproline II helixtrans-73.2146.1171.4-68.1-177.2-67.900111.9V59V59-Q61 PolarHBondContact O-N 3.22Å
62K28.1Very low32.8Very low171 Ų171156.2 Ų156.274%0.74382%0.819SS**  trans-155.8138.7156.3-168.8175.5-176.5177.20110.1
63R28.7Very low32.6Very low193 Ų193159 Ų15973%0.72882%0.823SS**  trans79.799164.8-91.9166.6177.1153.21.1120.2
64D30.6Very low32.6Very low135 Ų135162.2 Ų162.272%0.72282%0.823SS**  59.6124.9109.5-48-14000121.1
65E31.7Very low32Very low184 Ų184162.6 Ų162.686%0.8683%0.825SS**  trans51.5128154-55.3-172.4155.600118.8
66L30.6Very low31.3Very low155 Ų155159.1 Ų159.181%0.81282%0.821SS**  -176.312867-173.967.8000112.9
67V29.1Very low30.9Very low117 Ų117158 Ų15871%0.70982%0.819SS**  trans-2.4120.3153.3177.40000120
68K33.3Very low31.1Very low187 Ų187158.8 Ų158.881%0.81382%0.819SS**  176.4144.1112.8-115.5140.9-176.6175.60116.5
69R33.3Very low31Very low239 Ų239161.4 Ų161.490%0.90282%0.818SS**  trans70.5103.9154.1-75.3-177.6173.8174.2-2.8121.4
70S27.9Very low31.2Very low114 Ų114162.6 Ų162.680%0.79782%0.82SS**  trans-64.3-178.5138.2-12.30000111.5
71P37.7Very low31.2Very low130 Ų130155.5 Ų155.584%0.84481%0.813SS**  cis-135.3-17713.842.5-24.4000116.1
72G26.8Very low31.5Very low79 Ų79152.5 Ų152.581%0.81481%0.812SS**  trans162.592.1167.700000113.1
73E32.3Very low31.6Very low188 Ų188148.3 Ų148.388%0.87982%0.817SS**  trans-94.5151.8-177.8-61.4162.5124.600112.3
74M32.7Very low31.7Very low170 Ų170142.1 Ų142.184%0.83781%0.814SS**  trans172.4110.9130.659.3-173176.600109.3
75E30.1Very low31.6Very low174 Ų174143.7 Ų143.781%0.81382%0.823SS**  83.599.298.9-75.2-174160.100112.9
76T30.2Very low31.5Very low130 Ų130137.8 Ų137.880%0.79881%0.811SS**  79.8102.884.656.30000115.5
77E29.5Very low31.6Very low184 Ų184139.7 Ų139.786%0.8682%0.815SS**  trans-168.9159.9136.760.1167.2-154.300109
78S35.5Very low31.9Very low116 Ų116141.4 Ų141.481%0.81182%0.821SS**  cis-156.6151.3-31.7-920000107
79D28.1Very low32.8Very low154 Ų154137.4 Ų137.482%0.82481%0.814SS**  trans-81.2165.6-166.1-96.2-50.8000116.4
80L34.9Very low32.6Very low156 Ų156133 Ų13382%0.81781%0.808SS**  trans77108.8149-78155.4000120.6
81A33.2Very low32.9Very low95 Ų95133.5 Ų133.579%0.78581%0.807SS**  trans-75.7150.9153.700000111.6
82C36.6Very low33.1Very low131 Ų131133 Ų13389%0.88580%0.803SS**  trans-117.4127.7163-75.20000109.8
83G30.6Very low33.4Very low83 Ų83133.7 Ų133.786%0.85680%0.801SS**  trans-104.3160.5161.800000110.3
84G30.3Very low33.3Very low64 Ų64133.5 Ų133.566%0.6680%0.8SS**  trans-179.2110.617400000114.1
85N29.8Very low33.2Very low168 Ų168130.2 Ų130.290%0.89879%0.794SS**  trans56.5146.8145.6-51.8-6.8000119.9
86G30.2Very low33.2Very low59 Ų59129.4 Ų129.461%0.60880%0.795SS**  cis174.8-164.5-2.500000112.8
87E32.1Very low33.3Very low195 Ų195126.5 Ų126.591%0.91179%0.791SS**  trans66.2139.5153.352.7-154.583.300123.7
88D34.2Very low33.6Very low154 Ų154126.8 Ų126.882%0.82479%0.792SS**  trans-70.9-174.7175.1-109.4-46.9000112.2
89P52.7Low33.4Very low102 Ų102129.1 Ų129.166%0.66280%0.796SS**  cis-139-172.411.631.1-5.7000117.1
90D30.1Very low33.7Very low148 Ų148131 Ų13179%0.79179%0.791SS**  trans124.5141.8131.5-92.5-37.3000122
91T34Very low33.6Very low124 Ų124131.5 Ų131.576%0.76180%0.795SS**  trans-110.8168.3-171.3-44.50000106.8
92P41.9Very low33.5Very low119 Ų119133.5 Ų133.577%0.77379%0.788SS**  cis-146.2172.629.543.5-22.2000119.7
93A32.3Very low33.2Very low93 Ų93136.6 Ų136.677%0.76979%0.789SS**  trans-102.6157.3162.300000111.2
94Q30.4Very low33.1Very low185 Ų185140.6 Ų140.686%0.86479%0.79SS**  trans-118.8130.3156-63.2-166.8-67.700106.6
95S30.7Very low33Very low100 Ų100146.3 Ų146.370%0.69980%0.802SS**  49.8132.895.7-105.80000113
96D30Very low33.1Very low157 Ų157142.6 Ų142.684%0.8479%0.794SS**  cis-163.5179.310.2-142.2-41.3000109.4
97G31.7Very low33.1Very low69 Ų69145.8 Ų145.871%0.71181%0.805SS**  trans132.3106158.700000116.1
98E35.7Very low32.8Very low191 Ų191144.9 Ų144.989%0.89381%0.805SS**  trans-73.6144.8172.2-56.7165.9109.300111.5
99D33Very low32.5Very low165 Ų165142.4 Ų142.488%0.88281%0.806SS**  -164.7139.5122.6-124-30000110.6
100R34.2Very low31.5Very low193 Ų193143.5 Ų143.573%0.72882%0.816SS**  trans-144.896.9-168.7-170.8-179.5-169.6-81-12.7111.3E102R100-E102 IonicContact CZ-OE1 3.04Å; R100-E102 IonicContact NH1-OE1 2.68Å; R100-E102 PolarHBondContact NH1-OE1 2.94Å; R100-E102 IonicContact NH2-OE1 2.7Å; R100-E102 PolarHBondContact NH2-OE1 3.5Å
101D31.6Very low31.7Very low167 Ų167140.8 Ų140.889%0.89381%0.814SS**  trans-122.3140.1165.6-98-37.4000110.7
102E31.1Very low31.9Very low137 Ų137139.2 Ų139.264%0.6481%0.808SS**  trans-104.6132.2-167.7-57.1-167.9167.800112.3R100R100-E102 IonicContact CZ-OE1 3.04Å; R100-E102 IonicContact NH1-OE1 2.68Å; R100-E102 PolarHBondContact NH1-OE1 2.94Å; R100-E102 IonicContact NH2-OE1 2.7Å; R100-E102 PolarHBondContact NH2-OE1 3.5Å
103E29.6Very low31.9Very low195 Ų195141.8 Ų141.891%0.91181%0.81SS**  trans-119.1136.3162.2-164.9176.117700110.3M105E103-M105 PolarHBondContact O-N 3.23Å
104L29.6Very low31.9Very low168 Ų168144.4 Ų144.488%0.8881%0.811SS**PPolyproline II helixtrans-75.9119.6-159.5-69154.4000113.3
105M28.9Very low32.4Very low184 Ų184143.3 Ų143.391%0.90681%0.81SS**PPolyproline II helixtrans-72.5126.2165.7-91.2-83-15400111.3E103E103-M105 PolarHBondContact O-N 3.23Å
106A30.4Very low32.2Very low89 Ų89142.3 Ų142.374%0.73682%0.816SS**PPolyproline II helixtrans-87.5133.1166.600000110.5
107P30.9Very low32.4Very low127 Ų127140.4 Ų140.483%0.82582%0.815SS**PPolyproline II helixtrans-78.8136.1-172.4-1329.1000113.7
108L26.5Very low32.4Very low176 Ų176144.4 Ų144.492%0.92182%0.82SS**PPolyproline II helixtrans-79.5131.5154.5-69.3169.4000108.4
109A27.3Very low32.4Very low101 Ų101140.2 Ų140.284%0.83581%0.812SS**  trans-120.7125.8169.600000109.9
110S31.4Very low32.4Very low126 Ų126141.7 Ų141.788%0.88181%0.813SS**  trans-119.6128.7169.3-60.60000108.4
111A35.2Very low32.4Very low90 Ų90137 Ų13774%0.74482%0.815SS**  trans-151.3120.8161.100000104.4
112S37.4Very low32.9Very low92 Ų92135 Ų13564%0.64381%0.812SS**  cis78.7131.74887.60000113.1
113E41.6Very low32.8Very low173 Ų173133.4 Ų133.481%0.80882%0.822SS**  trans47.8138.8178.848.2-107.8103.700119.1
114D33.6Very low33Very low147 Ų147130 Ų13079%0.78682%0.815SS**  -157.8-175.652.6-165.416.5000113.7
115L39.6Very low33.1Very low162 Ų162131.6 Ų131.685%0.84882%0.817SS**  trans-87.8162.4-155.5-63.3159.4000116.6
116G27.8Very low33.1Very low80 Ų80130 Ų13083%0.82581%0.812SS**  trans-165.388.1168.200000111.9
117S34Very low33.3Very low117 Ų117132.6 Ų132.682%0.81882%0.819SS**  trans-84.6142.3167.7-80.10000110.6
118D30.5Very low33.7Very low153 Ų153135.1 Ų135.182%0.81882%0.82SS**  trans-140156.4138.6-162.212.8000109.5
119S37Very low33.9Very low103 Ų103135.8 Ų135.872%0.7282%0.818SS**  trans-142.2119.9-172-64.40000110.5
120E33.2Very low34.2Very low196 Ų196137.7 Ų137.792%0.91681%0.814SS**  trans-123.3134.2159.8-71.5-156.6106.900110.6
121A34.2Very low35Very low93 Ų93137.1 Ų137.177%0.76981%0.808SS**  trans-112.1156.3-179.600000109.5
122P41.2Very low34.9Very low125 Ų125141.5 Ų141.581%0.81281%0.81SS**PPolyproline II helixtrans-81.7147.4-168.732.7-35.3000112.9
123A28.9Very low34.7Very low105 Ų105143 Ų14387%0.86882%0.815SS**PPolyproline II helixtrans-99.7123.716500000110.1
124V34.3Very low34.1Very low124 Ų124139.6 Ų139.675%0.75282%0.816SS**PPolyproline II helixtrans-87.4147.4172-71.20000110.6
125Q32.1Very low33.7Very low200 Ų200135.8 Ų135.894%0.93581%0.812SS**  trans-140.3121.3147.6-71.2-164.89.100109.2
126D28.9Very low33.1Very low150 Ų150136.7 Ų136.780%0.80281%0.812SS**  trans-72.5147.2166.5-64.8-68.2000110.9
127V34.8Very low33.1Very low144 Ų144138 Ų13887%0.87381%0.808SS**  trans-148.1118.7139171.20000107.6
128E37.6Very low33Very low181 Ų181137.4 Ų137.485%0.84680%0.804SS**  trans-75.5145.1157.9-70.8-174.3122.800109.7
129E32.5Very low32.9Very low190 Ų190139 Ų13989%0.88881%0.807SS**  -178.2140.4116.3-99.1-171.4150.100111.4
130D32.1Very low32.6Very low140 Ų140137.3 Ų137.375%0.74981%0.805SS**  trans-122.9129.2165.1-176-37.5000106K132D130-K132 PolarHBondContact OD1-N 2.84Å
131P49.1Very low32.7Very low114 Ų114135.6 Ų135.674%0.7480%0.797SS**  trans-141.9110.7131.332.2-16.2000114.4
132K32.9Very low32.7Very low182 Ų182137.9 Ų137.979%0.79180%0.796SS**  8.6124.9126.9-166.3-168.7-175.4174.90117.8D130D130-K132 PolarHBondContact OD1-N 2.84Å
133V32.5Very low32.7Very low125 Ų125139.8 Ų139.876%0.75880%0.795SS**  159.9129.3127.6156.80000112.9
134A28.7Very low33.1Very low100 Ų100141 Ų14183%0.82679%0.786SS**  trans39.3146.5151.300000124
135G26.5Very low33.4Very low67 Ų67140 Ų14069%0.69178%0.78SS**  trans137.577.4136.500000118.2
136E25.8Very low33.9Very low182 Ų182138 Ų13885%0.8577%0.771SS**  trans43.4123.8131.2-68.3-179.3127.100122.6
137S28.7Very low34.3Very low106 Ų106137.9 Ų137.974%0.74177%0.771SS**  87.8143.4128-64.60000119
138S30.9Very low34.3Very low105 Ų105134 Ų13473%0.73476%0.76SS**  cis-168-179.6-2.6-104.60000111.1
139Q30.1Very low34.1Very low188 Ų188133.1 Ų133.188%0.87976%0.761SS**  trans78.2134.4155-161.4173.7-1.500116.5
140G29.6Very low34Very low67 Ų67129.3 Ų129.369%0.69175%0.75SS**  cis-168.5178.8-6.800000106.2
141E34.4Very low34Very low160 Ų160127.2 Ų127.275%0.74875%0.747SS**  cis-157.3143.319.3-70.2169.6157.100107.9
142D35.5Very low33.1Very low141 Ų141129 Ų12975%0.75475%0.749SS**  56.1146.2129.9-49.6-14.5000122.6
143E41.7Very low33Very low165 Ų165124.7 Ų124.777%0.77174%0.742SS**  cis-158.9176.9-12.2-116.1-166.1160.100111.5
144D35.8Very low32.8Very low130 Ų130125.9 Ų125.970%0.69574%0.744SS**  trans80.4103163.9-72.9-37.8000122.6
145T41.2Very low32.7Very low102 Ų102126.2 Ų126.263%0.62674%0.74SS**  71.5133.866.2-230000112
146E42.6Very low32.8Very low160 Ų160126.8 Ų126.875%0.74873%0.734SS**  cis-138.5153.718.3-41.4-13798.500115.4
147D37.2Very low33.3Very low147 Ų147126.7 Ų126.779%0.78673%0.733SS**  trans48.7145.7132.6-64.3-5.9000124
148G34.6Very low33.5Very low63 Ų63128.3 Ų128.365%0.64973%0.729SS**  cis168.3149.5-6.400000114.8
149N32.9Very low33.7Very low162 Ų162133 Ų13387%0.86673%0.731SS**  trans56.5146.8140-94.8-0.2000120.7
150V30.1Very low33.7Very low109 Ų109129.6 Ų129.666%0.66172%0.723SS**  cis-168147.2-3.345.50000110.1
151S32.5Very low33.7Very low96 Ų96134.1 Ų134.167%0.67173%0.728SS**  trans-3.4163.9145.6-50.10000120.5
152L30.6Very low33.4Very low153 Ų153133.9 Ų133.980%0.80173%0.727SS**  cis-173.1172.7-12.8-104.4169.1000106.8
153S30.6Very low33Very low90 Ų90132.5 Ų132.563%0.62972%0.724SS**  trans78.2121.3143.6-850000123.1
154N27.9Very low32.4Very low150 Ų150128.7 Ų128.780%0.80272%0.72SS**  94124.7124.3-64.511.2000122.6
155S26.8Very low32.1Very low108 Ų108131.6 Ų131.676%0.75573%0.73SS**  trans103.5137.2131.7-141.30000121
156S29.7Very low31.5Very low79 Ų79130.4 Ų130.455%0.55273%0.73SS**  trans64.8113.6147.2-71.30000119
157E35.1Very low31Very low179 Ų179126.9 Ų126.984%0.83673%0.728SS**  83.1142.598.6-69.8163.1134.400111.2
158E32.7Very low30.6Very low141 Ų141129 Ų12966%0.65973%0.734SS**  cis-156.3155.331.5-146.7-166.8137.300110.8
159R35.9Very low30.4Very low204 Ų204129.2 Ų129.277%0.7773%0.729SS**  trans36.5154.1141.5-92.4158.3161.91670.7122.9
160T29.6Very low30.4Very low115 Ų115130.3 Ų130.371%0.70673%0.726SS**  cis-134.8151.47.355.90000108.7
161M30.8Very low30.5Very low162 Ų162133.2 Ų133.280%0.79873%0.733SS**  48.1135.767.2-71.7178.3172.300113.3
162E27.8Very low30.4Very low156 Ų156135.5 Ų135.573%0.72973%0.733SS**  cis-160166.97.3-140.2-173.8135.600111.2
163T27.6Very low30.4Very low112 Ų112135.9 Ų135.969%0.68773%0.732SS**  trans14.3152.9145.551.30000122.6
164A28.8Very low30.4Very low84 Ų84137.7 Ų137.769%0.69474%0.739SS**  cis-170.6175.4-5.500000110.9
165E28.7Very low30.5Very low192 Ų192135 Ų13590%0.89774%0.738SS**  trans14.6148.4142.8-69.5-138.7111.100121.9
166A29.2Very low30.8Very low77 Ų77134.8 Ų134.864%0.63674%0.743SS**  cis-171.9-180-2.200000112.2
167A31.8Very low30.8Very low86 Ų86140.7 Ų140.771%0.71176%0.758SS**  trans89.6125.8145.700000121.8
168E28.6Very low31.1Very low191 Ų191137.6 Ų137.689%0.89375%0.754SS**  trans59147.8140.7-71.7-161.68800121.9
169A31.8Very low31.1Very low67 Ų67138.2 Ų138.255%0.55476%0.757SS**  cis-170.4179.2-11.500000110.8
170K31.4Very low30.9Very low186 Ų186137.8 Ų137.881%0.80976%0.755SS**  trans83122.1164-55.7172.3-173.9176.20116
171Q32.6Very low31Very low170 Ų170143 Ų14379%0.79476%0.762SS**  64.6135.877.9-97176.6-30.500113
172E30.4Very low31.1Very low144 Ų144140 Ų14067%0.67376%0.763SS**  cis-165.7171.610.6-161.7-175.1134.200110.6
173M29.6Very low31.4Very low160 Ų160138.3 Ų138.379%0.78877%0.768SS**  trans70.5151.9153.2-101.4179.5139.400118
174V32.5Very low32Very low128 Ų128138.8 Ų138.878%0.77677%0.771SS**  cis-142.6161.514178.80000111.9
175A30.1Very low32.8Very low94 Ų94140.5 Ų140.578%0.77778%0.775SS**  trans-57158.9-179.700000120.5
176A31.2Very low33.9Very low104 Ų104136.8 Ų136.886%0.8677%0.768SS**  -171.9147122.700000114.5
177K31.7Very low34.8Very low202 Ų202138.9 Ų138.988%0.87878%0.775SS**  trans-141.2149.6163-126.7-174.2177.2167.20105.9
178P40.3Very low35.7Very low115 Ų115140.9 Ų140.975%0.74778%0.781SS**  -139.5-153.957.641.5-20.9000112.5
179Q33.7Very low36Very low153 Ų153137.3 Ų137.372%0.71578%0.777SS**  cis-149.6-143.57.7-143-147.8117.800114.9
180R31.1Very low36.6Very low196 Ų196142.2 Ų142.274%0.7479%0.793SS**  trans-85.8172.7-176.8-69.3-178.4175.9143.9-9.3112.6
181R31.9Very low37.4Very low224 Ų224139 Ų13985%0.84579%0.791SS**  cis-168.4152.34.4-128.5177.4-169.8-172.84.2107.1
182A32.1Very low37.5Very low100 Ų100137.4 Ų137.483%0.82679%0.793SS**  159.2132.4128.400000115.9
183S33.6Very low38.1Very low119 Ų119140.1 Ų140.183%0.83280%0.802SS**  trans19.9142.1150.7-148.90000125
184T40.5Very low38.4Very low122 Ų122140.3 Ų140.375%0.74881%0.805SS**  trans-69.1164.1168.951.40000115.2
185P45.2Very low38.4Very low120 Ų120142 Ų14278%0.77981%0.809SS**  -142.7166.7100.138.5-24.7000116.2
186P52.4Low38.6Very low114 Ų114144.2 Ų144.274%0.7481%0.814SS**PPolyproline II helixtrans-89167.6178.236.4-36.3000114.7
187P48.9Very low38.7Very low121 Ų121149.9 Ų149.979%0.78681%0.812SS**PPolyproline II helixtrans-81.2160.7-172.132.5-37000115.8
188P51Low39Very low128 Ų128148.7 Ų148.783%0.83182%0.815SS**PPolyproline II helixtrans-89.4161.7-169.835.8-37.4000116
189S34.8Very low38.5Very low117 Ų117146.5 Ų146.582%0.81881%0.813SS**PPolyproline II helixtrans-90.1154.4176.549.80000113.9
190L43.8Very low38.5Very low170 Ų170145.5 Ų145.589%0.8982%0.823SS**PPolyproline II helixtrans-93.9158.1177.9-69.6176.4000112.9
191P48.7Very low39Very low117 Ų117143.6 Ų143.676%0.7683%0.827SS**PPolyproline II helixtrans-98.9153.1-154.636.8-36.1000116.5
192V34.2Very low39Very low138 Ų138140.7 Ų140.784%0.83683%0.828SS**PPolyproline II helixtrans-85.7140.7167.2177.60000109.9
193K42Very low39.1Very low201 Ų201138.8 Ų138.887%0.87482%0.818SS**PPolyproline II helixtrans-95.2131.1175.7-65.6178.1179.7177.30111.3
194L36.3Very low39.1Very low163 Ų163138 Ų13885%0.85382%0.819SS**  trans-143.1128.6162.6-79.3179.2000110
195L32.6Very low40.1Very low163 Ų163138 Ų13885%0.85382%0.821SS**  trans-163.7129148.7-144.986.9000110.7
196T34.1Very low40.5Very low142 Ų142138 Ų13887%0.87182%0.821SS**  -169152.8112.3-69.90000108.3
197R34.1Very low40Very low222 Ų222139 Ų13984%0.83883%0.825SS**  trans-133.8143.7-157.2167.2-167.7178.4-156.41.6109.7
198L37Very low40Very low178 Ų178138.4 Ų138.493%0.93282%0.821SS**  trans157.6139.4154.9-87.8157.9000107.6
199G31.1Very low39.2Very low69 Ų69137.8 Ų137.871%0.71181%0.814SS**  cis169.9141.7-10.400000112.6
200S34.1Very low39.2Very low131 Ų131140.3 Ų140.392%0.91681%0.811SS**  trans80132.9161.7-143.80000122.9
201L39.6Very low38.8Very low156 Ų156141.3 Ų141.382%0.81781%0.808SS**  trans-75167.5154.9-81.7132.9000109.6
202D34Very low38.4Very low163 Ų163141.1 Ų141.187%0.87281%0.81SS**  cis-166.7-175.545.3-152.7-21.7000110.3
203G32.8Very low39.5Very low61 Ų61140.3 Ų140.363%0.62981%0.807SS**  trans-127.7-176.8-161.100000122.2
204A35.1Very low39.2Very low103 Ų103135.1 Ų135.185%0.85180%0.801SS**  trans80.7172.6161.700000119
205P60.6Low39.2Very low120 Ų120134 Ų13478%0.77980%0.802SS**  -120.5-179.5-10243.3-26.2000112.9
206P53.7Low39.4Very low122 Ų122134 Ų13479%0.79280%0.802SS**  -150.7-178.455.340.3-16.2000118.7
207V41.4Very low40.1Very low133 Ų133132.8 Ų132.881%0.80680%0.796SS**  trans-70.5164.6167.1-111.30000111.7
208P49.4Very low40.2Very low109 Ų109132.1 Ų132.171%0.70879%0.793SS**  cis-157.9174.447.645.3-22.8000121.3
209V34.7Very low40.2Very low115 Ų115129.5 Ų129.570%0.69778%0.78SS**  trans55.5134.4155.2-85.30000126.2
210K34.8Very low40.5Very low171 Ų171134.8 Ų134.874%0.74378%0.784SS**  102.2116.7129.4-87.1163-175.4170.50122.1
211K34.4Very low40.4Very low191 Ų191135.6 Ų135.683%0.8378%0.784SS**  trans87.4122.7137.5-63.7169.5179.6-173.80121.6
212S40Very low40.3Very low113 Ų113135.4 Ų135.479%0.7978%0.783SS**  trans-79.2-171.1153.9-280000111.1
213P57.1Low40.8Very low120 Ų120133.3 Ų133.378%0.77978%0.778SS**  cis-140.6-171.3-5.341.7-22.3000116.5
214A35.8Very low40.7Very low92 Ų92139.8 Ų139.876%0.7679%0.789SS**  trans72.8161.7156.100000117.8
215T36.8Very low40.7Very low140 Ų140142.4 Ų142.486%0.85978%0.784SS**  cis-148.1169.12239.80000114.6
216L36.5Very low40.2Very low164 Ų164141 Ų14186%0.85977%0.774SS**  trans-90.5159.8172.4-96.6167.3000114.4
217P49.7Very low39.2Very low115 Ų115143.9 Ų143.975%0.74778%0.777SS**  -145.4179.3125.925.1-3.2000114.5
218R35.4Very low38.8Very low208 Ų208141.1 Ų141.179%0.78578%0.775SS**  cis-178.8112.5-37.8174.8179.8162.990-2.5112.2
219N37.6Very low38Very low123 Ų123141.2 Ų141.266%0.65878%0.779SS**  trans64.6168.6151.1-61.64.4000120.5
220F37.6Very low38.2Very low181 Ų181143 Ų14379%0.79478%0.784SS**  cis175.7141.4-43-131.7-73.8000108.2
221T32.5Very low38.3Very low147 Ų147142.5 Ų142.590%0.90279%0.788SS**  trans-165.5148.3153.611.80000113.5
222L36.6Very low38.2Very low152 Ų152144.8 Ų144.880%0.79679%0.791SS**  trans-147.9147.3-179.3-175.982.7000109.9
223P43.8Very low37.9Very low119 Ų119142.9 Ų142.977%0.77379%0.789SS**  trans-142.3164.7136.428.3-9.4000113.1
224K30.4Very low36.8Very low197 Ų197148 Ų14886%0.85779%0.793SS**  cis-168.8139.8-19.2176.1162.3178.3172.80109.1
225E35.7Very low37.1Very low159 Ų159151.6 Ų151.674%0.74380%0.798SS**  trans-64.9162.6174.8-87.8-78.1163.800114
226P51Low37Very low90 Ų90149.8 Ų149.858%0.58479%0.791SS**  -159.1158.594.640.8-19.8000121.4
227H31.8Very low37.3Very low183 Ų183148.3 Ų148.385%0.84779%0.789SS**  trans85.1125.2157-44.3-65.5000118.8
228G32.4Very low36.8Very low75 Ų75149 Ų14977%0.77379%0.794SS**  cis168152.4-9.400000115.1
229S32.8Very low37.2Very low111 Ų111145.9 Ų145.978%0.77680%0.798SS**  trans83.392.3162.7-160.90000121.8
230L39.6Very low36.8Very low153 Ų153143.3 Ų143.380%0.80180%0.8SS**  34.3125.2125.1-71.3160.7000120.6
231L36.6Very low36.8Very low159 Ų159139.7 Ų139.783%0.83280%0.798SS**  -177.4141.997.6-95.5176.1000114.2
232R32.6Very low37.4Very low239 Ų239138.9 Ų138.990%0.90280%0.795SS**  trans51.8115.9150.3-170173.9-80.8-125.20.1118.8
233G33.1Very low37.4Very low73 Ų73140 Ų14075%0.75380%0.796SS**  trans-86169.9-176.300000116.4
234R34Very low37.3Very low227 Ų227142.8 Ų142.886%0.85780%0.803SS**  trans-160.2137.5157.7-151.2168.6163.6-120.1-2.6108.9S236R234-S236 PolarHBondContact O-N 2.96Å
235I42.6Very low37.8Very low169 Ų169137.1 Ų137.187%0.86780%0.801SS**  trans-63.1125.8171.744.4170.5000110.2
236S34.8Very low37.9Very low101 Ų101134.2 Ų134.271%0.70680%0.804SS**  trans-159137.7169-74.30000110.3R234R234-S236 PolarHBondContact O-N 2.96Å
237T42.5Very low37.6Very low134 Ų134138.8 Ų138.882%0.82282%0.822SS**  trans-73.5140-178.546.40000112.8
238P40.4Very low37.8Very low129 Ų129136.8 Ų136.884%0.83881%0.813SS**  trans-90.9114.1165.432.6-28.1000111.5
239T42.3Very low38.4Very low142 Ų142141.5 Ų141.587%0.87182%0.815SS**  trans-68.3143.3153.9-83.20000109.2
240G30.3Very low39.1Very low69 Ų69142 Ų14271%0.71182%0.815SS**  trans17389.5172.400000113.6
241S36.3Very low39.6Very low106 Ų106140.9 Ų140.974%0.74181%0.81SS**PPolyproline II helixtrans-82.2140.3171.8-55.80000111.4
242P45Very low40.4Very low130 Ų130138.1 Ų138.184%0.84480%0.801SS**PPolyproline II helixtrans-83119.1162.331.9-28.7000109.7
243H36.6Very low41.8Very low175 Ų175129.9 Ų129.981%0.8178%0.779SS**PPolyproline II helixtrans-95.4126.7167.4-11276.8000109.2
244L42.8Very low43.6Very low178 Ų178129.3 Ų129.393%0.93276%0.763SS**  trans-132.6137.5152.7-75.7-180000107.9
245G41.4Very low45.2Very low78 Ų78123 Ų12380%0.80475%0.752SS**  trans-87150.7-156.400000115.7
246A38.1Very low46.6Very low97 Ų97120.9 Ų120.980%0.80274%0.742SS**  trans-129.6142.8152.700000107.8H248A246-H248 PolarHBondContact O-N 3.06Å; A246-H248 VanDerWaalsContact O-N 3.1Å
247L43.8Very low48.6Very low187 Ų187119.6 Ų119.698%0.97973%0.726SS**  trans-64.7108.3-176.6-70.1162.4000110.6
248H36.7Very low50.1Low141 Ų141117.5 Ų117.565%0.65371%0.707SS**  trans-96.1103.5177.5-171.9-89.1000110.4A246A246-H248 PolarHBondContact O-N 3.06Å; A246-H248 VanDerWaalsContact O-N 3.1Å
249Q44.4Very low51.9Low173 Ų173117.7 Ų117.781%0.80870%0.697SS**  trans-55.2138.6162.9-79.9177.1-33.300109.3L251Q249-L251 PolarHBondContact O-N 3.13Å
250P47.1Very low53.7Low121 Ų121115.7 Ų115.779%0.78668%0.68SS**  trans-65.4110.6178.327-32.8000109.6
251L50.1Low56.1Low131 Ų131117.9 Ų117.969%0.68667%0.672SS**PPolyproline II helixtrans-53.1136.4167.5-72.3164.9000108.8Q249Q249-L251 PolarHBondContact O-N 3.13Å
252P54.4Low58.5Low101 Ų101119.9 Ų119.966%0.65666%0.663SS**PPolyproline II helixtrans-59.3140.7176.825.5-33.5000109.5S254P252-S254 PolarHBondContact O-N 2.99Å
253P62.1Low60Low66 Ų66116 Ų11643%0.42964%0.642SS.*PPolyproline II helixtrans-57.1133.7178.424.8-33.3000109.1I257P253-I257 HydrophobicContact CB-CB 4.01Å; P253-I257 HydrophobicContact CB-CG2 3.79Å
254S70.9Confident61.9Low60 Ų60112.6 Ų112.642%0.4263%0.629SS.*PPolyproline II helixtrans-59.3151.4171.763.10000109.3P252 I256 I257 E258P252-S254 PolarHBondContact O-N 2.99Å; S254-I256 PolarHBondContact O-N 2.72Å; S254-I257 WeakPolarHBondContact O-CA 3.34Å; S254-I257 WeakPolarHBondContact O-CB 3.46Å; S254-I257 PolarHBondContact O-N 2.83Å; S254-I257 WeakPolarHBondContact OG-CD1 3.47Å; S254-I257 WeakPolarHBondContact OG-CG1 3.5Å; S254-E258 PolarHBondContact O-N 2.91Å
255C67.3Low63.1Low94 Ų94107.5 Ų107.564%0.63561%0.613SS**Hα-helixtrans-50.6-32.4-178.250.80000113.3E258 E259C255-E258 PolarHBondContact O-N 2.87Å; C255-E259 WeakPolarHBondContact O-CB 3.42Å; C255-E259 PolarHBondContact O-N 3.35Å
256I70.6Confident64.4Low125 Ų125107.9 Ų107.964%0.64160%0.6SS**Hα-helixtrans-64.9-42.6174.8-55.9172.9000111.8S254 L260S254-I256 PolarHBondContact O-N 2.72Å; I256-L260 VanDerWaalsContact O-CB 3.24Å; I256-L260 WeakPolarHBondContact O-CB 3.22Å; I256-L260 PolarHBondContact O-N 3.38Å
257I77.2Confident65.2Low75 Ų75110.6 Ų110.639%0.38559%0.593SS.*Hα-helixtrans-69.3-37.8176.5-64168.7000110.2P253 S254 L260 H261P253-I257 HydrophobicContact CB-CB 4.01Å; P253-I257 HydrophobicContact CB-CG2 3.79Å; S254-I257 WeakPolarHBondContact O-CA 3.34Å; S254-I257 WeakPolarHBondContact O-CB 3.46Å; S254-I257 PolarHBondContact O-N 2.83Å; S254-I257 WeakPolarHBondContact OG-CD1 3.47Å; S254-I257 WeakPolarHBondContact OG-CG1 3.5Å; I257-L260 PolarHBondContact O-N 3.34Å; I257-H261 VanDerWaalsContact CG2-CE1 3.46Å; I257-H261 WeakPolarHBondContact CG2-CE1 3.41Å; I257-H261 PolarHBondContact O-N 3.17Å; I257-H261 PolarHBondContact O-ND1 3.19Å
258E74.3Confident65.5Low89 Ų89109.2 Ų109.242%0.41658%0.582SS.*Hα-helixtrans-70.8-41.3177.8-155.4-175137.500112.2S254 C255 L260 H261 R262S254-E258 PolarHBondContact O-N 2.91Å; C255-E258 PolarHBondContact O-N 2.87Å; E258-L260 VanDerWaalsContact C-N 3.33Å; E258-H261 PolarHBondContact O-N 3.4Å; E258-R262 WeakPolarHBondContact O-CB 3.44Å; E258-R262 PolarHBondContact O-N 2.96Å; E258-R262 IonicContact OE1-CZ 2.66Å; E258-R262 IonicContact OE1-NH1 3.24Å; E258-R262 IonicContact OE1-NH2 2.81Å; E258-R262 PolarHBondContact OE1-NH2 3.24Å
259E79.2Confident66.1Low134 Ų134112 Ų11263%0.62659%0.586SS**Hα-helixtrans-60.4-41.3168.5-85.4-17011000111.8C255 R262 A263C255-E259 WeakPolarHBondContact O-CB 3.42Å; C255-E259 PolarHBondContact O-N 3.35Å; E259-R262 PolarHBondContact O-N 2.78Å; E259-A263 VanDerWaalsContact O-CB 3.29Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.98Å
260L78.6Confident66.2Low100 Ų100111.3 Ų111.352%0.52458%0.583SS.*Hα-helixtrans-62.8-46177.9-170.170.5000111.4I256 I257 E258 R262 A263 L264I256-L260 VanDerWaalsContact O-CB 3.24Å; I256-L260 WeakPolarHBondContact O-CB 3.22Å; I256-L260 PolarHBondContact O-N 3.38Å; I257-L260 PolarHBondContact O-N 3.34Å; E258-L260 VanDerWaalsContact C-N 3.33Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.01Å; L260-A263 PolarHBondContact O-N 3.03Å; L260-L264 HydrophobicContact CG-CD1 4.07Å; L260-L264 WeakPolarHBondContact O-CB 3.41Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.5Å; L260-L264 PolarHBondContact O-N 3.38Å
261H81.9Confident65.9Low115 Ų115113.5 Ų113.553%0.53258%0.583SS.*Hα-helixtrans-62.8-38.1174.3-67.7152.3000112.2I257 E258 L264 A265I257-H261 VanDerWaalsContact CG2-CE1 3.46Å; I257-H261 WeakPolarHBondContact CG2-CE1 3.41Å; I257-H261 PolarHBondContact O-N 3.17Å; I257-H261 PolarHBondContact O-ND1 3.19Å; E258-H261 PolarHBondContact O-N 3.4Å; H261-L264 PolarHBondContact O-N 2.92Å; H261-A265 VanDerWaalsContact O-CB 3.31Å; H261-A265 WeakPolarHBondContact O-CB 3.4Å; H261-A265 PolarHBondContact O-N 3.44Å
262R86.9Confident65.6Low147 Ų147111.1 Ų111.156%0.55558%0.577SS**Hα-helixtrans-66.6-38.5176.1-146.8-177-50.4-97.9-1.6112.3E258 E259 L260 T266E258-R262 WeakPolarHBondContact O-CB 3.44Å; E258-R262 PolarHBondContact O-N 2.96Å; E258-R262 IonicContact OE1-CZ 2.66Å; E258-R262 IonicContact OE1-NH1 3.24Å; E258-R262 IonicContact OE1-NH2 2.81Å; E258-R262 PolarHBondContact OE1-NH2 3.24Å; E259-R262 PolarHBondContact O-N 2.78Å; L260-R262 VanDerWaalsContact C-N 3.33Å; L260-R262 PolarHBondContact O-N 3.01Å; R262-T266 WeakPolarHBondContact O-CG2 3.37Å; R262-T266 PolarHBondContact O-N 3.44Å; R262-T266 VanDerWaalsContact O-N 3.15Å; R262-T266 PolarHBondContact O-OG1 3.44Å
263A75.4Confident65.1Low49 Ų49114 Ų11441%0.40558%0.58SS.*Hα-helixtrans-70.3-39.917600000112.4E259 L260 T266 K267E259-A263 VanDerWaalsContact O-CB 3.29Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 2.98Å; L260-A263 PolarHBondContact O-N 3.03Å; A263-T266 WeakPolarHBondContact CA-OG1 3.19Å; A263-T266 PolarHBondContact O-N 2.76Å; A263-T266 PolarHBondContact O-OG1 3.3Å; A263-K267 WeakPolarHBondContact O-CB 3.41Å; A263-K267 PolarHBondContact O-N 3.17Å
264L75.9Confident64.1Low104 Ų104119.1 Ų119.155%0.54560%0.598SS.*Hα-helixtrans-69.6-40.5177.2-70171.6000111.7L260 H261 T266 K267 H268L260-L264 HydrophobicContact CG-CD1 4.07Å; L260-L264 WeakPolarHBondContact O-CB 3.41Å; L260-L264 VanDerWaalsContact O-CG 3.23Å; L260-L264 WeakPolarHBondContact O-CG 3.5Å; L260-L264 PolarHBondContact O-N 3.38Å; H261-L264 PolarHBondContact O-N 2.92Å; L264-T266 PolarHBondContact O-N 3.42Å; L264-K267 PolarHBondContact O-N 2.89Å; L264-H268 PolarHBondContact O-N 3.32Å
265A69.8Low62.4Low71 Ų71121.4 Ų121.459%0.58761%0.609SS**Hα-helixtrans-64-37.4174.900000112.9H261H261-A265 VanDerWaalsContact O-CB 3.31Å; H261-A265 WeakPolarHBondContact O-CB 3.4Å; H261-A265 PolarHBondContact O-N 3.44Å
266T67.2Low61.2Low86 Ų86125.6 Ų125.653%0.52862%0.617SS.*Hα-helixtrans-75-35.1177.445.80000112.8R262 A263 L264 H268 R269R262-T266 WeakPolarHBondContact O-CG2 3.37Å; R262-T266 PolarHBondContact O-N 3.44Å; R262-T266 VanDerWaalsContact O-N 3.15Å; R262-T266 PolarHBondContact O-OG1 3.44Å; A263-T266 WeakPolarHBondContact CA-OG1 3.19Å; A263-T266 PolarHBondContact O-N 2.76Å; A263-T266 PolarHBondContact O-OG1 3.3Å; L264-T266 PolarHBondContact O-N 3.42Å; T266-H268 VanDerWaalsContact C-N 3.35Å; T266-H268 PolarHBondContact O-N 2.89Å; T266-R269 PolarHBondContact O-N 3.17Å
267K55.9Low59.4Low153 Ų153128.9 Ų128.967%0.66563%0.63SS**Hα-helixtrans-56.3-42.9173.6-97.7-79.4-175.2173.50113.3A263 L264 R269 Q270A263-K267 WeakPolarHBondContact O-CB 3.41Å; A263-K267 PolarHBondContact O-N 3.17Å; L264-K267 PolarHBondContact O-N 2.89Å; K267-R269 VanDerWaalsContact C-N 3.27Å; K267-R269 PolarHBondContact O-N 3.31Å; K267-Q270 PolarHBondContact O-N 3.04Å
268H49.8Very low57.5Low159 Ų159129.2 Ų129.274%0.73664%0.644SS**Hα-helixtrans-66.9-24.6-177.2-17055.4000113.8L264 T266L264-H268 PolarHBondContact O-N 3.32Å; T266-H268 VanDerWaalsContact C-N 3.35Å; T266-H268 PolarHBondContact O-N 2.89Å
269R48.9Very low55.5Low198 Ų198136.6 Ų136.675%0.74767%0.668SS**Hα-helixtrans-84-16.9-177.4-161.1177.5-177.7103.7-1.1114.2T266 K267T266-R269 PolarHBondContact O-N 3.17Å; K267-R269 VanDerWaalsContact C-N 3.27Å; K267-R269 PolarHBondContact O-N 3.31Å
270Q46.5Very low53Low159 Ų159136.1 Ų136.174%0.74368%0.678SS**Hα-helixtrans-97-18.3-174.9-69.8-165.2-20.400114.6K267K267-Q270 PolarHBondContact O-N 3.04Å
271E41.6Very low50.8Low167 Ų167136.5 Ų136.578%0.7869%0.689SS**THydrogen-bonded Turntrans-83.2-20-177.7-151.9161.6-132.200113
272S43.4Very low49.7Very low81 Ų81136.5 Ų136.557%0.56670%0.699SS**THydrogen-bonded Turntrans-84.8-4.9-177.162.90000116.1
273F44.1Very low47.1Very low163 Ų163139.7 Ų139.772%0.71572%0.717SS**SBendtrans-120.52.9-171-73.7-74.4000116.1
274Q40Very low45.5Very low173 Ų173148.1 Ų148.181%0.80874%0.738SS**SBendtrans-95.48.3179.8-76.8-86.128.500114.2
275T36.7Very low43.5Very low107 Ų107154.5 Ų154.566%0.65676%0.755SS**SBendtrans-122.2109.1-177.4-41.20000110.9
276K41.7Very low41.6Very low183 Ų183154.6 Ų154.680%0.79676%0.755SS**  trans77.8139.5-178.5-44.5163-173177.40112
277E32Very low39.9Very low194 Ų194158.3 Ų158.391%0.90777%0.772SS**  cis-137.8-178.818.3-72.7-174.5172.300113.7
278A37.9Very low38.5Very low82 Ų82154.2 Ų154.268%0.67877%0.774SS**  trans-128.6167-173.200000113.4
279R33Very low37.7Very low244 Ų244158.2 Ų158.292%0.92178%0.782SS**  trans75.8150.7-180-38.3-55.9-170.5168.14.7113.1
280C25.1Very low37.2Very low124 Ų124156.6 Ų156.684%0.83879%0.788SS**  cis-145.2172.810.9-1560000112.3
281S33.2Very low36.6Very low108 Ų108154.4 Ų154.476%0.75579%0.79SS**  trans-99.3-141.6-174.8-36.40000111.6
282P58Low36.3Very low115 Ų115157.1 Ų157.175%0.74779%0.793SS**  -127.7166.5-62.734.6-20.9000113.3
283K32Very low35.5Very low214 Ų214159.5 Ų159.593%0.9380%0.804SS**  trans-161.4150.2144.6-122.4154.5-174.6166.60115.8
284R42.5Very low34.7Very low226 Ų226156.7 Ų156.785%0.85381%0.805SS**  trans-115.5158.6-177.8-45.9-166.4-56.71661.9112.4
285R33.3Very low34.2Very low238 Ų238154 Ų15490%0.89881%0.805SS**  trans-149.1134.8134.4-61.4-165.5176.1105.7-4.4105.9
286A31.3Very low34Very low72 Ų72156.4 Ų156.460%0.59581%0.81SS**  cis64.9126.144.300000111.2
287D30.9Very low33.4Very low164 Ų164154.1 Ų154.188%0.87780%0.803SS**  cis-142.4176.86.3-71.3-60.9000107.8
288G27.1Very low33.6Very low68 Ų68154 Ų15470%0.70179%0.794SS**  cis121.1111.8700000112.6
289R33.1Very low33.4Very low243 Ų243158.6 Ų158.692%0.91780%0.801SS**  trans-167.3137.4146.8-162.4160.4-73.5-107.43.2112.9
290L37.2Very low33Very low164 Ų164153.1 Ų153.186%0.85980%0.801SS**  trans-115.8159.8177.8-64.2158.8000110.4
291S35.4Very low33.6Very low112 Ų112155.6 Ų155.678%0.78381%0.805SS**  trans163.8152.4152.2-860000111.4
292R34.4Very low33.5Very low225 Ų225154 Ų15485%0.84981%0.805SS**  cis-173.6148.5-8.9-121.9174.3155.6-166.9-4.8110.4
293T26.6Very low32.5Very low131 Ų131157 Ų15780%0.80481%0.809SS**  trans-157112.4139.640.20000106.4
294S28Very low32.9Very low104 Ų104154.2 Ų154.273%0.72780%0.801SS**  52.8132.795.263.80000114.8
295S29.4Very low32.4Very low116 Ų116151.3 Ų151.381%0.81180%0.803SS**  cis-154.2-176.130.1-157.10000115.3
296M31Very low32.3Very low157 Ų157142.6 Ų142.677%0.77379%0.787SS**  trans-68176.3-165.1-48.9171.266.400115.9
297E30.7Very low32.8Very low136 Ų136149 Ų14964%0.63680%0.801SS**  cis-153.3152.231.7-74.5-167.39400117.1
298R35.8Very low33.5Very low191 Ų191150.8 Ų150.872%0.72180%0.801SS**  trans56.8110.7145.1-64.5-179.8-139.8-120.95.2125.8
299E32.6Very low34.1Very low179 Ų179159.4 Ų159.484%0.83681%0.812SS**  54.1112.2121.9-61.2178.5114.200123.6
300S25.7Very low34.5Very low129 Ų129153.7 Ų153.790%0.90281%0.81SS**  -165.2154.5115.5-167.90000111.7
301L37.2Very low35.1Very low176 Ų176151.4 Ų151.492%0.92180%0.798SS**  trans-97135.6-177.3-178.570.4000111
302G31.1Very low35.9Very low75 Ų75155.4 Ų155.477%0.77381%0.805SS**  trans178.8143.9174.900000113.6
303E37.4Very low36.9Very low178 Ų178150.6 Ų150.683%0.83280%0.796SS**  trans-84.1170.3-168.5-68.4177.590.300116.5
304M40.4Very low38.2Very low154 Ų154150.1 Ų150.176%0.75978%0.783SS**  trans105.7100.4138.1-144.873.971.400119.7
305D32.7Very low39.4Very low166 Ų166153.1 Ų153.189%0.88879%0.785SS**  trans55.2164.3138.5-16028.9000122.3
306G31.3Very low40.3Very low54 Ų54153.5 Ų153.556%0.55778%0.778SS**  trans120.529.7145.900000120.9
307K42Very low41.1Very low208 Ų208151.1 Ų151.190%0.90478%0.776SS**  trans30.494.3144.8-170.2169-174.4167.30118.9
308K45.2Very low42Very low200 Ų200152.6 Ų152.687%0.8778%0.776SS**  trans-150114159.6-94.2179.9-176.1171.40113.2
309R39.4Very low42.4Very low249 Ų249149.4 Ų149.494%0.9477%0.772SS**  trans-177.8149.2149-103.3165.8-167.1-97.12.2109.7
310S40.4Very low43Very low124 Ų124147.3 Ų147.387%0.86777%0.767SS**  trans95.782.6-175.6-60.20000116.4
311D50.8Low44.1Very low115 Ų115148.4 Ų148.462%0.61576%0.757SS**  trans-144.150.4158.1-155.212.3000112.9K314D311-K314 WeakPolarHBondContact OD1-CD 3.49Å; D311-K314 WeakPolarHBondContact OD1-CE 3.35Å; D311-K314 IonicContact OD1-NZ 3.97Å; D311-K314 PolarHBondContact OD1-NZ 3.36Å; D311-K314 IonicContact OD2-NZ 3.32Å; D311-K314 PolarHBondContact OD2-NZ 3.44Å
312E51.9Low44.7Very low197 Ų197147.2 Ų147.292%0.92174%0.742SS**SBendtrans-124.83.2-174.3-67.9178.8177.600114.4
313N54.5Low45.7Very low123 Ų123147.7 Ų147.766%0.65873%0.73SS**  trans-134.843.8-178.2-165.128000114.4
314K54.7Low46.5Very low122 Ų122146.7 Ų146.753%0.5373%0.73SS.*  trans-96-6.5173-76.9179.6-173.8139.60114.5D311D311-K314 WeakPolarHBondContact OD1-CD 3.49Å; D311-K314 WeakPolarHBondContact OD1-CE 3.35Å; D311-K314 IonicContact OD1-NZ 3.97Å; D311-K314 PolarHBondContact OD1-NZ 3.36Å; D311-K314 IonicContact OD2-NZ 3.32Å; D311-K314 PolarHBondContact OD2-NZ 3.44Å
315E52.5Low47.5Very low167 Ų167142.8 Ų142.878%0.7871%0.712SS**SBendtrans-82.2-36.9-174.9-63.6-159.3130.500113.4C317 R318E315-C317 PolarHBondContact O-N 3.21Å; E315-R318 PolarHBondContact O-N 3.39Å
316N48.5Very low49Very low124 Ų124137 Ų13766%0.66368%0.68SS**Hα-helixtrans-62.5-38.9-177.8-90.4-51.3000113.8R318N316-R318 VanDerWaalsContact C-N 3.29Å; N316-R318 PolarHBondContact O-N 3.34Å
317C48.2Very low51Low107 Ų107140.3 Ų140.372%0.72369%0.685SS**Hα-helixtrans-74.8-14.7179-62.30000114.1E315E315-C317 PolarHBondContact O-N 3.21Å
318R48.8Very low52.6Low167 Ų167133.5 Ų133.563%0.6366%0.664SS**Hα-helixtrans-81.9-28.2-179.6-79.7179.7167.5154.8-2.9112.9E315 N316 D320 Q321 Y322E315-R318 PolarHBondContact O-N 3.39Å; N316-R318 VanDerWaalsContact C-N 3.29Å; N316-R318 PolarHBondContact O-N 3.34Å; R318-D320 PolarHBondContact O-N 3.47Å; R318-Q321 PolarHBondContact O-N 3.22Å; R318-Y322 WeakPolarHBondContact O-CD2 3.46Å
319L45.6Very low53.9Low124 Ų124125.6 Ų125.665%0.64963%0.628SS**Hα-helixtrans-67.4-37.5-172.4-169.261.5000112.7Q321L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 2.84Å
320D45.5Very low55.9Low134 Ų134115.3 Ų115.372%0.71759%0.592SS**THydrogen-bonded Turntrans-74.6-17.3-179.1-107.7-4.5000114.3R318 T323R318-D320 PolarHBondContact O-N 3.47Å; D320-T323 PolarHBondContact O-OG1 3.17Å; D320-T323 VanDerWaalsContact O-OG1 3.08Å
321Q48.4Very low57.8Low152 Ų152115.3 Ų115.371%0.7158%0.578SS**THydrogen-bonded Turntrans-74.9-26.4179.4-163.677.980.500112.2R318 L319R318-Q321 PolarHBondContact O-N 3.22Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 2.84Å
322Y50.5Low59.4Low151 Ų151111.4 Ų111.459%0.59256%0.56SS**THydrogen-bonded Turntrans-90.2-13.9-174.4-76.5-84.8000114.6R318 W329R318-Y322 WeakPolarHBondContact O-CD2 3.46Å; Y322-W329 HydrophobicContact CD1-CH2 4.04Å; Y322-W329 HydrophobicContact CD1-CZ2 4.05Å; Y322-W329 HydrophobicContact CE1-CH2 4.08Å; Y322-W329 HydrophobicContact CE1-CZ2 4.13Å
323T51.4Low60.7Low86 Ų86104.8 Ų104.853%0.52853%0.533SS..THydrogen-bonded Turntrans-80.1-33-176.947.10000112.6D320D320-T323 PolarHBondContact O-OG1 3.17Å; D320-T323 VanDerWaalsContact O-OG1 3.08Å
324N54.1Low62Low156 Ų156105.3 Ų105.383%0.83454%0.535SS*.THydrogen-bonded Turntrans-80.8-12.5-176.4-158.231.9000114.2
325D61.3Low63.4Low72 Ų72103.1 Ų103.139%0.38554%0.535SS..THydrogen-bonded Turntrans-100.53-172.3-143.623.5000112.8D327 S328 W329D325-D327 VanDerWaalsContact C-N 3.31Å; D325-D327 PolarHBondContact O-N 3.07Å; D325-S328 WeakPolarHBondContact O-CB 3.3Å; D325-S328 PolarHBondContact O-N 3.19Å; D325-S328 WeakPolarHBondContact OD1-CB 3.22Å; D325-W329 PolarHBondContact O-N 3.14Å; D325-W329 VanDerWaalsContact O-N 3.09Å; D325-W329 PolarHBondContact OD2-NE1 3.32Å
326Q64.9Low64.8Low44 Ų4497.6 Ų97.621%0.20652%0.522CS..Hα-helixtrans-63.4-31.8-169.2-175.514625.600113.6N330 L346Q326-N330 PolarHBondContact O-N 2.98Å; Q326-N330 PolarHBondContact O-ND2 3.31Å; Q326-N330 VanDerWaalsContact O-ND2 3.16Å; Q326-L346 HydrophobicContact CG-CD1 3.76Å
327D71.8Confident66.6Low125 Ų12596.7 Ų96.767%0.66852%0.521SS*.Hα-helixtrans-81.3-32.7177.4-71.8-36.9000113.7D325 W329 N330 E331D325-D327 VanDerWaalsContact C-N 3.31Å; D325-D327 PolarHBondContact O-N 3.07Å; D327-W329 PolarHBondContact O-N 2.84Å; D327-N330 WeakPolarHBondContact O-CB 3.43Å; D327-N330 PolarHBondContact O-N 2.9Å; D327-N330 VanDerWaalsContact O-N 3.11Å; D327-N330 PolarHBondContact OD1-ND2 3.44Å; D327-E331 PolarHBondContact O-N 3.13Å; D327-E331 VanDerWaalsContact O-N 3.1Å
328S75.7Confident68.3Low65 Ų6592.1 Ų92.146%0.45549%0.49SS..Hα-helixtrans-58.2-40.3167.4170.80000111.1D325 S332D325-S328 WeakPolarHBondContact O-CB 3.3Å; D325-S328 PolarHBondContact O-N 3.19Å; D325-S328 WeakPolarHBondContact OD1-CB 3.22Å; S328-S332 PolarHBondContact O-N 3.44Å; S328-S332 PolarHBondContact O-OG 2.92Å
329W73.9Confident70.2Confident33 Ų3387.6 Ų87.613%0.12548%0.482CS..Hα-helixtrans-72.7-32175.4-67.934.8000112.2Y322 D325 D327 S332 V333 L338 M342 E345 L346Y322-W329 HydrophobicContact CD1-CH2 4.04Å; Y322-W329 HydrophobicContact CD1-CZ2 4.05Å; Y322-W329 HydrophobicContact CE1-CH2 4.08Å; Y322-W329 HydrophobicContact CE1-CZ2 4.13Å; D325-W329 PolarHBondContact O-N 3.14Å; D325-W329 VanDerWaalsContact O-N 3.09Å; D325-W329 PolarHBondContact OD2-NE1 3.32Å; D327-W329 PolarHBondContact O-N 2.84Å; W329-S332 PolarHBondContact O-N 3.15Å; W329-V333 WeakPolarHBondContact O-CG2 3.36Å; W329-V333 PolarHBondContact O-N 3.32Å; W329-L338 HydrophobicContact CB-CD2 4.23Å; W329-L338 HydrophobicContact CD2-CD1 4.47Å; W329-L338 HydrophobicContact CE3-CD2 4.25Å; W329-L338 HydrophobicContact CG-CD1 4.43Å; W329-M342 HydrophobicContact CE3-CB 4.08Å; W329-M342 HydrophobicContact CH2-CB 4.23Å; W329-M342 HydrophobicContact CH2-CG 3.9Å; W329-M342 HydrophobicContact CZ3-CB 3.72Å; W329-M342 HydrophobicContact CZ3-CG 3.92Å; W329-E345 HydrophobicContact CZ3-CB 4.47Å; W329-L346 HydrophobicContact CB-CD1 4.2Å; W329-L346 HydrophobicContact CB-CD2 4.14Å; W329-L346 HydrophobicContact CE3-CB 4.21Å
330N80.6Confident72.2Confident34 Ų3491.4 Ų91.418%0.18249%0.488CS..Hα-helixtrans-60.3-49173.9-72.1-35.8000111.3Q326 D327 S332 V333 I334 K350Q326-N330 PolarHBondContact O-N 2.98Å; Q326-N330 PolarHBondContact O-ND2 3.31Å; Q326-N330 VanDerWaalsContact O-ND2 3.16Å; D327-N330 WeakPolarHBondContact O-CB 3.43Å; D327-N330 PolarHBondContact O-N 2.9Å; D327-N330 VanDerWaalsContact O-N 3.11Å; D327-N330 PolarHBondContact OD1-ND2 3.44Å; N330-S332 VanDerWaalsContact C-N 3.29Å; N330-S332 PolarHBondContact O-N 3.46Å; N330-V333 PolarHBondContact O-N 2.8Å; N330-V333 VanDerWaalsContact O-N 3.1Å; N330-I334 WeakPolarHBondContact O-CG1 3.28Å; N330-I334 PolarHBondContact O-N 2.92Å; N330-I334 VanDerWaalsContact O-N 3.15Å; N330-K350 WeakPolarHBondContact OD1-CE 3.3Å; N330-K350 PolarHBondContact OD1-NZ 2.68Å
331E80.9Confident74.1Confident123 Ų12394.3 Ų94.358%0.57549%0.488SS*.Hα-helixtrans-62.3-38177.9-162.467.1-178.800111.9D327 V333 I334 S335D327-E331 PolarHBondContact O-N 3.13Å; D327-E331 VanDerWaalsContact O-N 3.1Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 2.7Å; E331-I334 PolarHBondContact O-N 3.25Å; E331-S335 WeakPolarHBondContact O-CB 3.18Å; E331-S335 PolarHBondContact O-N 3.12Å; E331-S335 PolarHBondContact O-OG 3.09Å
332S83.7Confident75.9Confident33 Ų3390.5 Ų90.523%0.23147%0.472CS..Hα-helixtrans-69.8-23.3175.8-58.80000113.8S328 W329 N330 G336 T337 L338S328-S332 PolarHBondContact O-N 3.44Å; S328-S332 PolarHBondContact O-OG 2.92Å; W329-S332 PolarHBondContact O-N 3.15Å; N330-S332 VanDerWaalsContact C-N 3.29Å; N330-S332 PolarHBondContact O-N 3.46Å; S332-G336 PolarHBondContact O-N 2.65Å; S332-T337 PolarHBondContact O-N 2.88Å; S332-T337 PolarHBondContact O-OG1 3.2Å; S332-L338 WeakPolarHBondContact O-CB 3.27Å; S332-L338 PolarHBondContact O-N 3.28Å
333V79.6Confident77.6Confident58 Ų5888.3 Ų88.335%0.35246%0.462SS..Hα-helixtrans-75.4-43.4170.1170.50000110.9W329 N330 E331 S335 G336 L338 R343 L346W329-V333 WeakPolarHBondContact O-CG2 3.36Å; W329-V333 PolarHBondContact O-N 3.32Å; N330-V333 PolarHBondContact O-N 2.8Å; N330-V333 VanDerWaalsContact O-N 3.1Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 2.7Å; V333-S335 VanDerWaalsContact C-N 3.31Å; V333-G336 PolarHBondContact O-N 2.95Å; V333-G336 VanDerWaalsContact O-N 3.13Å; V333-L338 HydrophobicContact CG2-CB 4.16Å; V333-L338 HydrophobicContact CG2-CD2 3.49Å; V333-L338 VanDerWaalsContact CG2-CD2 3.49Å; V333-L338 HydrophobicContact CG2-CG 4.46Å; V333-R343 HydrophobicContact CG2-CG 3.85Å; V333-L346 HydrophobicContact CG2-CD2 3.69Å
334I81.2Confident79.5Confident135 Ų13592 Ų9269%0.69247%0.471SS*.Hα-helixtrans-62.5-42.4177.5-62.8165000110.1N330 E331 G336N330-I334 WeakPolarHBondContact O-CG1 3.28Å; N330-I334 PolarHBondContact O-N 2.92Å; N330-I334 VanDerWaalsContact O-N 3.15Å; E331-I334 PolarHBondContact O-N 3.25Å; I334-G336 PolarHBondContact O-N 2.75Å
335S84.8Confident81.1Confident76 Ų7688.6 Ų88.653%0.53145%0.45SS..THydrogen-bonded Turntrans-72.7-6.1176.3-53.50000114.3E331 V333 T337E331-S335 WeakPolarHBondContact O-CB 3.18Å; E331-S335 PolarHBondContact O-N 3.12Å; E331-S335 PolarHBondContact O-OG 3.09Å; V333-S335 VanDerWaalsContact C-N 3.31Å; S335-T337 PolarHBondContact O-N 3.37Å; S335-T337 VanDerWaalsContact O-N 3.11Å
336G81.8Confident82.5Confident50 Ų5085.7 Ų85.752%0.51544%0.435SS..SBendtrans72.7-5.5178.900000116.2S332 V333 I334S332-G336 PolarHBondContact O-N 2.65Å; V333-G336 PolarHBondContact O-N 2.95Å; V333-G336 VanDerWaalsContact O-N 3.13Å; I334-G336 PolarHBondContact O-N 2.75Å
337T86Confident83.7Confident106 Ų10688.3 Ų88.365%0.6545%0.45SS*.  trans-75.1-22.7-175.251.10000113.7S332 S335S332-T337 PolarHBondContact O-N 2.88Å; S332-T337 PolarHBondContact O-OG1 3.2Å; S335-T337 PolarHBondContact O-N 3.37Å; S335-T337 VanDerWaalsContact O-N 3.11Å
338L83.9Confident84.7Confident11 Ų1185.1 Ų85.16%0.05844%0.44CS..SBendtrans-65.5128.2-173.9-162.770.1000112.4W329 S332 V333 M342 R343 L346W329-L338 HydrophobicContact CB-CD2 4.23Å; W329-L338 HydrophobicContact CD2-CD1 4.47Å; W329-L338 HydrophobicContact CE3-CD2 4.25Å; W329-L338 HydrophobicContact CG-CD1 4.43Å; S332-L338 WeakPolarHBondContact O-CB 3.27Å; S332-L338 PolarHBondContact O-N 3.28Å; V333-L338 HydrophobicContact CG2-CB 4.16Å; V333-L338 HydrophobicContact CG2-CD2 3.49Å; V333-L338 VanDerWaalsContact CG2-CD2 3.49Å; V333-L338 HydrophobicContact CG2-CG 4.46Å; L338-M342 HydrophobicContact CD1-CB 3.94Å; L338-M342 HydrophobicContact CD1-SD 4.06Å; L338-M342 HydrophobicContact CD2-CB 4.03Å; L338-M342 HydrophobicContact CG-CB 3.81Å; L338-R343 HydrophobicContact CB-CG 4.14Å; L338-R343 HydrophobicContact CD2-CG 3.92Å; L338-R343 HydrophobicContact CG-CG 4.26Å; L338-R343 PolarHBondContact O-NE 2.89Å; L338-R343 PolarHBondContact O-NH2 3.46Å; L338-L346 HydrophobicContact CD2-CD2 4.33Å
339P88.9Confident85.4Confident72 Ų7283.9 Ų83.947%0.46843%0.43SS..  trans-55.2148.4177.7-29.436.5000114R341 M342 R343P339-R341 PolarHBondContact O-N 2.85Å; P339-R341 VanDerWaalsContact O-N 3.14Å; P339-M342 HydrophobicContact CB-SD 4.22Å; P339-M342 HydrophobicContact CG-SD 3.81Å; P339-M342 PolarHBondContact O-N 3.11Å; P339-R343 PolarHBondContact O-N 3.41Å
340R86.6Confident86.2Confident203 Ų20386.8 Ų86.877%0.76644%0.444SS*.Hα-helixtrans-57.3-30.2-178.6-76.2-174.6172.2-157.2-2.1113.8K344R340-K344 WeakPolarHBondContact O-CG 3.5Å; R340-K344 PolarHBondContact O-N 2.85Å
341R86.7Confident86.8Confident195 Ų19590 Ų9074%0.73646%0.46SS*.Hα-helixtrans-68.6-55.4175.7178.7-179.3-75.1163.8-5.1111P339 R343 K344 E345P339-R341 PolarHBondContact O-N 2.85Å; P339-R341 VanDerWaalsContact O-N 3.14Å; R341-R343 VanDerWaalsContact C-N 3.27Å; R341-R343 PolarHBondContact O-N 3.01Å; R341-K344 WeakPolarHBondContact O-CA 3.34Å; R341-K344 WeakPolarHBondContact O-CB 3.14Å; R341-K344 PolarHBondContact O-N 2.99Å; R341-E345 WeakPolarHBondContact CG-OE1 3.33Å; R341-E345 PolarHBondContact O-N 3.32Å
342M84.9Confident87.4Confident73 Ų7392.8 Ų92.836%0.3647%0.465SS..Hα-helixtrans-59.3-35.4178-71.3162.6170.600112.6W329 L338 P339 K344 E345 L346W329-M342 HydrophobicContact CE3-CB 4.08Å; W329-M342 HydrophobicContact CH2-CB 4.23Å; W329-M342 HydrophobicContact CH2-CG 3.9Å; W329-M342 HydrophobicContact CZ3-CB 3.72Å; W329-M342 HydrophobicContact CZ3-CG 3.92Å; L338-M342 HydrophobicContact CD1-CB 3.94Å; L338-M342 HydrophobicContact CD1-SD 4.06Å; L338-M342 HydrophobicContact CD2-CB 4.03Å; L338-M342 HydrophobicContact CG-CB 3.81Å; P339-M342 HydrophobicContact CB-SD 4.22Å; P339-M342 HydrophobicContact CG-SD 3.81Å; P339-M342 PolarHBondContact O-N 3.11Å; M342-K344 VanDerWaalsContact C-N 3.34Å; M342-K344 PolarHBondContact O-N 2.66Å; M342-E345 PolarHBondContact O-N 2.92Å; M342-L346 WeakPolarHBondContact O-CB 3.13Å; M342-L346 PolarHBondContact O-N 2.78Å
343R86.6Confident87.8Confident105 Ų10595.8 Ų95.840%0.39648%0.479SS..Hα-helixtrans-60-38.7171-87.1-174.4-84.2168-19.7113.8V333 L338 P339 R341 L347V333-R343 HydrophobicContact CG2-CG 3.85Å; L338-R343 HydrophobicContact CB-CG 4.14Å; L338-R343 HydrophobicContact CD2-CG 3.92Å; L338-R343 HydrophobicContact CG-CG 4.26Å; L338-R343 PolarHBondContact O-NE 2.89Å; L338-R343 PolarHBondContact O-NH2 3.46Å; P339-R343 PolarHBondContact O-N 3.41Å; R341-R343 VanDerWaalsContact C-N 3.27Å; R341-R343 PolarHBondContact O-N 3.01Å; R343-L347 WeakPolarHBondContact O-CB 3.41Å; R343-L347 PolarHBondContact O-N 3.03Å; R343-L347 VanDerWaalsContact O-N 3.13Å
344K90.6Very high88.4Confident162 Ų162101.4 Ų101.470%0.70449%0.494SS*.Hα-helixtrans-70-41.1175.6-71.7179.6175.7-169.30111.3R340 R341 M342 L347 A348R340-K344 WeakPolarHBondContact O-CG 3.5Å; R340-K344 PolarHBondContact O-N 2.85Å; R341-K344 WeakPolarHBondContact O-CA 3.34Å; R341-K344 WeakPolarHBondContact O-CB 3.14Å; R341-K344 PolarHBondContact O-N 2.99Å; M342-K344 VanDerWaalsContact C-N 3.34Å; M342-K344 PolarHBondContact O-N 2.66Å; K344-L347 PolarHBondContact O-N 2.97Å; K344-A348 WeakPolarHBondContact O-CB 3.38Å; K344-A348 PolarHBondContact O-N 3.37Å
345E89.3Confident89.1Confident86 Ų8697.1 Ų97.140%0.40248%0.475SS..Hα-helixtrans-63.9-48.2177.3-71.3159.8-170.700111.4W329 R341 M342 L347 A348 V349W329-E345 HydrophobicContact CZ3-CB 4.47Å; R341-E345 WeakPolarHBondContact CG-OE1 3.33Å; R341-E345 PolarHBondContact O-N 3.32Å; M342-E345 PolarHBondContact O-N 2.92Å; E345-L347 VanDerWaalsContact C-N 3.33Å; E345-L347 PolarHBondContact O-N 3.29Å; E345-A348 WeakPolarHBondContact O-CB 3.47Å; E345-A348 PolarHBondContact O-N 2.81Å; E345-A348 VanDerWaalsContact O-N 3.14Å; E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 2.83Å
346L89.1Confident89.6Confident11 Ų1196 Ų966%0.05847%0.467CS..Hα-helixtrans-57.9-43.2175-176.266.2000112.3Q326 W329 V333 L338 M342 V349 K350Q326-L346 HydrophobicContact CG-CD1 3.76Å; W329-L346 HydrophobicContact CB-CD1 4.2Å; W329-L346 HydrophobicContact CB-CD2 4.14Å; W329-L346 HydrophobicContact CE3-CB 4.21Å; V333-L346 HydrophobicContact CG2-CD2 3.69Å; L338-L346 HydrophobicContact CD2-CD2 4.33Å; M342-L346 WeakPolarHBondContact O-CB 3.13Å; M342-L346 PolarHBondContact O-N 2.78Å; L346-V349 PolarHBondContact O-N 3.23Å; L346-K350 WeakPolarHBondContact O-CB 3.35Å; L346-K350 WeakPolarHBondContact O-CG 3.46Å; L346-K350 PolarHBondContact O-N 3.18Å
347L90.4Very high90.1Very high99 Ų99100.4 Ų100.452%0.51847%0.472SS..Hα-helixtrans-64.8-41.2176.5-179.660.5000111.5R343 K344 E345 V349 K350 L351R343-L347 WeakPolarHBondContact O-CB 3.41Å; R343-L347 PolarHBondContact O-N 3.03Å; R343-L347 VanDerWaalsContact O-N 3.13Å; K344-L347 PolarHBondContact O-N 2.97Å; E345-L347 VanDerWaalsContact C-N 3.33Å; E345-L347 PolarHBondContact O-N 3.29Å; L347-V349 PolarHBondContact O-N 3.03Å; L347-K350 PolarHBondContact O-N 2.88Å; L347-L351 HydrophobicContact CD1-CD1 4.13Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 3.95Å; L347-L351 HydrophobicContact CG-CG 4.32Å; L347-L351 WeakPolarHBondContact O-CB 3.38Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.27Å; L347-L351 PolarHBondContact O-N 3.12Å
348A92.8Very high90.5Very high57 Ų57100.5 Ų100.547%0.47147%0.465SS..Hα-helixtrans-61.9-42.6176.400000112K344 E345 L351 R352K344-A348 WeakPolarHBondContact O-CB 3.38Å; K344-A348 PolarHBondContact O-N 3.37Å; E345-A348 WeakPolarHBondContact O-CB 3.47Å; E345-A348 PolarHBondContact O-N 2.81Å; E345-A348 VanDerWaalsContact O-N 3.14Å; A348-L351 PolarHBondContact O-N 3.46Å; A348-R352 WeakPolarHBondContact O-CB 3.37Å; A348-R352 PolarHBondContact O-N 3.01Å
349V90.3Very high91Very high39 Ų39104 Ų10424%0.23648%0.481CS..Hα-helixtrans-62.8-45.6174177.60000111.1E345 L346 L347 L351 R352 N353E345-V349 WeakPolarHBondContact O-CG2 3.39Å; E345-V349 PolarHBondContact O-N 2.83Å; L346-V349 PolarHBondContact O-N 3.23Å; L347-V349 PolarHBondContact O-N 3.03Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 3.49Å; V349-R352 PolarHBondContact O-N 3.45Å; V349-N353 WeakPolarHBondContact O-CB 3.44Å; V349-N353 PolarHBondContact O-N 2.71Å
350K91.4Very high91.3Very high95 Ų95101.9 Ų101.941%0.41347%0.465SS..Hα-helixtrans-63-35.2177-75.3-176.9178.3-1730113.5N330 L346 L347 N353 R354N330-K350 WeakPolarHBondContact OD1-CE 3.3Å; N330-K350 PolarHBondContact OD1-NZ 2.68Å; L346-K350 WeakPolarHBondContact O-CB 3.35Å; L346-K350 WeakPolarHBondContact O-CG 3.46Å; L346-K350 PolarHBondContact O-N 3.18Å; L347-K350 PolarHBondContact O-N 2.88Å; K350-N353 CarbonylContact O-C 3.52Å; K350-R354 PolarHBondContact O-N 2.71Å; K350-R354 VanDerWaalsContact O-N 3.17Å
351L93.5Very high91.6Very high102 Ų10293.3 Ų93.353%0.53443%0.434SS..Hα-helixtrans-73.7-38.1177.1-72.5173.5000112L347 A348 V349 N353 R354L347-L351 HydrophobicContact CD1-CD1 4.13Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 3.95Å; L347-L351 HydrophobicContact CG-CG 4.32Å; L347-L351 WeakPolarHBondContact O-CB 3.38Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.27Å; L347-L351 PolarHBondContact O-N 3.12Å; A348-L351 PolarHBondContact O-N 3.46Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 3.49Å; L351-N353 VanDerWaalsContact C-N 3.35Å; L351-R354 VanDerWaalsContact O-CB 3.32Å; L351-R354 WeakPolarHBondContact O-CB 3.47Å; L351-R354 PolarHBondContact O-N 2.91Å
352R92.4Very high92Very high180 Ų18089 Ų8968%0.67943%0.426SS*.Hα-helixtrans-64.5-39.5172.7-177.2-179.465.6-151.81.1112A348 V349 R354A348-R352 WeakPolarHBondContact O-CB 3.37Å; A348-R352 PolarHBondContact O-N 3.01Å; V349-R352 PolarHBondContact O-N 3.45Å; R352-R354 VanDerWaalsContact C-N 3.29Å; R352-R354 PolarHBondContact O-N 3.5Å
353N93Very high92.5Very high96 Ų9693.9 Ų93.951%0.51344%0.44SS..THydrogen-bonded Turntrans-90.214.6-179.7-61.24.5000112.6V349 K350 L351 P355V349-N353 WeakPolarHBondContact O-CB 3.44Å; V349-N353 PolarHBondContact O-N 2.71Å; K350-N353 CarbonylContact O-C 3.52Å; L351-N353 VanDerWaalsContact C-N 3.35Å; N353-P355 WeakPolarHBondContact O-CD 3.26Å
354R93Very high92.8Very high176 Ų17695.6 Ų95.666%0.66446%0.457SS*.PPolyproline II helixtrans-73.2121.1-179.6-178.7-179.7176.8174.51109.7K350 L351 R352K350-R354 PolarHBondContact O-N 2.71Å; K350-R354 VanDerWaalsContact O-N 3.17Å; L351-R354 VanDerWaalsContact O-CB 3.32Å; L351-R354 WeakPolarHBondContact O-CB 3.47Å; L351-R354 PolarHBondContact O-N 2.91Å; R352-R354 VanDerWaalsContact C-N 3.29Å; R352-R354 PolarHBondContact O-N 3.5Å
355P94.1Very high92.9Very high46 Ų4692.8 Ų92.830%0.29945%0.449SS..PPolyproline II helixtrans-58.4146.4174.9-24.235.1000111.7N353 E359 L360N353-P355 WeakPolarHBondContact O-CD 3.26Å; P355-E359 WeakPolarHBondContact CA-OE2 3.32Å; P355-E359 HydrophobicContact CB-CB 4.2Å; P355-E359 WeakPolarHBondContact CB-OE2 3.45Å; P355-L360 HydrophobicContact CB-CD1 4.45Å; P355-L360 HydrophobicContact CB-CD2 3.9Å; P355-L360 HydrophobicContact CB-CG 3.98Å; P355-L360 HydrophobicContact CG-CD2 4.22Å
356S95.6Very high93Very high51 Ų5193.3 Ų93.336%0.35745%0.45SS..PPolyproline II helixtrans-64.1159.3175.570.60000111.7Q358 E359 L360S356-Q358 PolarHBondContact O-N 2.94Å; S356-E359 WeakPolarHBondContact CB-OE1 3.4Å; S356-E359 PolarHBondContact N-OE1 3.3Å; S356-E359 VanDerWaalsContact N-OE1 3.1Å; S356-E359 PolarHBondContact O-N 3.19Å; S356-E359 VanDerWaalsContact OG-CD 3.26Å; S356-E359 WeakPolarHBondContact OG-CG 3.38Å; S356-E359 PolarHBondContact OG-N 2.91Å; S356-E359 PolarHBondContact OG-OE1 3.08Å; S356-L360 WeakPolarHBondContact O-CG 3.23Å; S356-L360 PolarHBondContact O-N 3.45Å; S356-L360 VanDerWaalsContact O-N 3.16Å
357K93.7Very high93Very high144 Ų14498 Ų9863%0.62648%0.481SS*.Hα-helixtrans-56.2-38.7175-176.4176.2179.8-84.60111L360 E361K357-L360 PolarHBondContact O-N 3.37Å; K357-E361 WeakPolarHBondContact CE-OE1 3.21Å; K357-E361 WeakPolarHBondContact CG-OE1 3.49Å; K357-E361 IonicContact NZ-OE1 2.68Å; K357-E361 PolarHBondContact NZ-OE1 3.22Å; K357-E361 WeakPolarHBondContact O-CG 3.33Å; K357-E361 PolarHBondContact O-N 3.36Å
358Q93.8Very high93Very high107 Ų10797.3 Ų97.350%0.548%0.481SS..Hα-helixtrans-63.7-46.5176.9-169.962.253.100112.1S356 L360 E361 D362S356-Q358 PolarHBondContact O-N 2.94Å; Q358-L360 PolarHBondContact O-N 2.89Å; Q358-E361 CarbonylContact O-C 3.55Å; Q358-E361 WeakPolarHBondContact O-CB 3.49Å; Q358-E361 PolarHBondContact O-N 3.17Å; Q358-E361 VanDerWaalsContact O-N 3.11Å; Q358-D362 PolarHBondContact NE2-OD1 2.91Å; Q358-D362 WeakPolarHBondContact O-CB 3.2Å; Q358-D362 PolarHBondContact O-N 3.38Å
359E94.4Very high92.9Very high85 Ų85101.8 Ų101.840%0.39749%0.486SS..Hα-helixtrans-60.9-33.4177.2-72.8153.4-114.700112.9P355 S356 R363P355-E359 WeakPolarHBondContact CA-OE2 3.32Å; P355-E359 HydrophobicContact CB-CB 4.2Å; P355-E359 WeakPolarHBondContact CB-OE2 3.45Å; S356-E359 WeakPolarHBondContact CB-OE1 3.4Å; S356-E359 PolarHBondContact N-OE1 3.3Å; S356-E359 VanDerWaalsContact N-OE1 3.1Å; S356-E359 PolarHBondContact O-N 3.19Å; S356-E359 VanDerWaalsContact OG-CD 3.26Å; S356-E359 WeakPolarHBondContact OG-CG 3.38Å; S356-E359 PolarHBondContact OG-N 2.91Å; S356-E359 PolarHBondContact OG-OE1 3.08Å; E359-R363 VanDerWaalsContact O-CB 3.28Å; E359-R363 WeakPolarHBondContact O-CB 3.31Å; E359-R363 WeakPolarHBondContact O-CG 3.42Å; E359-R363 PolarHBondContact O-N 3.5Å
360L95.1Very high93.1Very high27 Ų27102.7 Ų102.714%0.14149%0.494CS..Hα-helixtrans-75.5-32.1177.1-63.3172.8000111.9P355 S356 K357 Q358 N364 I365 F366P355-L360 HydrophobicContact CB-CD1 4.45Å; P355-L360 HydrophobicContact CB-CD2 3.9Å; P355-L360 HydrophobicContact CB-CG 3.98Å; P355-L360 HydrophobicContact CG-CD2 4.22Å; S356-L360 WeakPolarHBondContact O-CG 3.23Å; S356-L360 PolarHBondContact O-N 3.45Å; S356-L360 VanDerWaalsContact O-N 3.16Å; K357-L360 PolarHBondContact O-N 3.37Å; Q358-L360 PolarHBondContact O-N 2.89Å; L360-N364 PolarHBondContact O-N 3.04Å; L360-I365 HydrophobicContact CB-CB 4.44Å; L360-I365 HydrophobicContact CD2-CD1 3.71Å; L360-I365 WeakPolarHBondContact O-CA 3.44Å; L360-I365 WeakPolarHBondContact O-CB 3.33Å; L360-I365 PolarHBondContact O-N 3.13Å; L360-F366 HydrophobicContact CB-CD2 3.58Å; L360-F366 HydrophobicContact CB-CE2 3.78Å; L360-F366 HydrophobicContact CD1-CD2 4.29Å; L360-F366 HydrophobicContact CD1-CE2 3.59Å; L360-F366 HydrophobicContact CD1-CZ 4.42Å; L360-F366 HydrophobicContact CG-CE2 4.32Å; L360-F366 PolarHBondContact O-N 2.87Å
361E93.7Very high93.3Very high23 Ų23102.9 Ų102.911%0.10750%0.499CS..Hα-helixtrans-67.9-46.6169.5-78.6177.8-151.600112.1K357 Q358 R363 N364 F366 V368K357-E361 WeakPolarHBondContact CE-OE1 3.21Å; K357-E361 WeakPolarHBondContact CG-OE1 3.49Å; K357-E361 IonicContact NZ-OE1 2.68Å; K357-E361 PolarHBondContact NZ-OE1 3.22Å; K357-E361 WeakPolarHBondContact O-CG 3.33Å; K357-E361 PolarHBondContact O-N 3.36Å; Q358-E361 CarbonylContact O-C 3.55Å; Q358-E361 WeakPolarHBondContact O-CB 3.49Å; Q358-E361 PolarHBondContact O-N 3.17Å; Q358-E361 VanDerWaalsContact O-N 3.11Å; E361-R363 VanDerWaalsContact C-N 3.27Å; E361-R363 PolarHBondContact O-N 3.05Å; E361-N364 WeakPolarHBondContact O-CA 3.48Å; E361-N364 PolarHBondContact O-N 3.45Å; E361-F366 HydrophobicContact CG-CB 3.94Å; E361-V368 HydrophobicContact CB-CG2 3.62Å; E361-V368 HydrophobicContact CG-CG2 3.82Å
362D94.4Very high93.4Very high106 Ų106103.1 Ų103.157%0.56750%0.497SS*.Hα-helixtrans-63.7-33.9177.6-63.4-18.7000111.6Q358 N364Q358-D362 PolarHBondContact NE2-OD1 2.91Å; Q358-D362 WeakPolarHBondContact O-CB 3.2Å; Q358-D362 PolarHBondContact O-N 3.38Å; D362-N364 PolarHBondContact O-N 3.3Å; D362-N364 PolarHBondContact O-ND2 3.3Å
363R95.9Very high93.6Very high174 Ų17498.8 Ų98.866%0.65749%0.485SS*.THydrogen-bonded Turntrans-773.2170.7-71.6176.7-174.8-148.93.3113.9E359 E361 I365E359-R363 VanDerWaalsContact O-CB 3.28Å; E359-R363 WeakPolarHBondContact O-CB 3.31Å; E359-R363 WeakPolarHBondContact O-CG 3.42Å; E359-R363 PolarHBondContact O-N 3.5Å; E361-R363 VanDerWaalsContact C-N 3.27Å; E361-R363 PolarHBondContact O-N 3.05Å; R363-I365 HydrophobicContact CB-CD1 3.95Å; R363-I365 HydrophobicContact CB-CG1 4.1Å; R363-I365 PolarHBondContact O-N 3.36Å
364N92.1Very high93.8Very high142 Ų14299.7 Ų99.776%0.75948%0.481SS*.THydrogen-bonded Turntrans57.923.8-178.1-58.3-93.7000114.2L360 E361 D362L360-N364 PolarHBondContact O-N 3.04Å; E361-N364 WeakPolarHBondContact O-CA 3.48Å; E361-N364 PolarHBondContact O-N 3.45Å; D362-N364 PolarHBondContact O-N 3.3Å; D362-N364 PolarHBondContact O-ND2 3.3Å
365I93.9Very high94Very high103 Ų10396 Ų9653%0.52847%0.472SS..SBendtrans-77.8-34.5174.7-62.8168.1000109.9L360 R363L360-I365 HydrophobicContact CB-CB 4.44Å; L360-I365 HydrophobicContact CD2-CD1 3.71Å; L360-I365 WeakPolarHBondContact O-CA 3.44Å; L360-I365 WeakPolarHBondContact O-CB 3.33Å; L360-I365 PolarHBondContact O-N 3.13Å; R363-I365 HydrophobicContact CB-CD1 3.95Å; R363-I365 HydrophobicContact CB-CG1 4.1Å; R363-I365 PolarHBondContact O-N 3.36Å
366F89.8Confident94.1Very high96 Ų9697.9 Ų97.942%0.42148%0.476SS..SBendtrans-108.9129.6169.7-67-50.7000111.4L360 E361 V368L360-F366 HydrophobicContact CB-CD2 3.58Å; L360-F366 HydrophobicContact CB-CE2 3.78Å; L360-F366 HydrophobicContact CD1-CD2 4.29Å; L360-F366 HydrophobicContact CD1-CE2 3.59Å; L360-F366 HydrophobicContact CD1-CZ 4.42Å; L360-F366 HydrophobicContact CG-CE2 4.32Å; L360-F366 PolarHBondContact O-N 2.87Å; E361-F366 HydrophobicContact CG-CB 3.94Å; F366-V368 PolarHBondContact O-N 3.41Å
367P89.9Confident94.2Very high110 Ų11098.6 Ų98.671%0.71448%0.475SS*.  trans-62.3116.5170.3-23.234.4000111.6
368V90.2Very high94.4Very high85 Ų8598.4 Ų98.452%0.51547%0.471SS..  trans-77.2-25178.9-170.20000112.5E361 F366E361-V368 HydrophobicContact CB-CG2 3.62Å; E361-V368 HydrophobicContact CG-CG2 3.82Å; F366-V368 PolarHBondContact O-N 3.41Å
369R90.8Very high94.6Very high151 Ų15198.2 Ų98.257%0.5747%0.47SS*.SBendtrans-123.3155.2-176.1-65.5-171.1-179.487.55110.8E373R369-E373 HydrophobicContact CB-CB 4.22Å
370S94.7Very high94.8Very high58 Ų5898.8 Ų98.841%0.40647%0.472SS..  trans-61.6159.1172.266.20000112.1Q372 E373 R374S370-Q372 PolarHBondContact O-N 3.43Å; S370-E373 WeakPolarHBondContact CB-OE2 3.12Å; S370-E373 PolarHBondContact N-OE2 3.37Å; S370-E373 PolarHBondContact O-N 3.15Å; S370-E373 WeakPolarHBondContact OG-CB 3.34Å; S370-E373 VanDerWaalsContact OG-CD 3.29Å; S370-E373 VanDerWaalsContact OG-CG 3.22Å; S370-E373 WeakPolarHBondContact OG-CG 3.43Å; S370-E373 PolarHBondContact OG-N 3.48Å; S370-E373 PolarHBondContact OG-OE2 2.66Å; S370-R374 PolarHBondContact O-N 3.45Å
371D95.1Very high95Very high99 Ų99102.2 Ų102.253%0.52949%0.49SS..Hα-helixtrans-60-37.4174.9-71.3-50.6000112.3R374 Q375D371-R374 PolarHBondContact O-N 3.01Å; D371-R374 IonicContact OD1-CZ 3.68Å; D371-R374 IonicContact OD1-NH1 2.66Å; D371-R374 PolarHBondContact OD1-NH1 2.87Å; D371-R374 IonicContact OD1-NH2 3.96Å; D371-R374 PolarHBondContact OD1-NH2 3.35Å; D371-Q375 WeakPolarHBondContact O-CG 3.36Å; D371-Q375 PolarHBondContact O-N 2.85Å
372Q96.4Very high95.2Very high106 Ų106106 Ų10650%0.49551%0.508SS..Hα-helixtrans-62.1-53177.4-17960.127.200111.6S370 R374 Q375 E376S370-Q372 PolarHBondContact O-N 3.43Å; Q372-R374 PolarHBondContact O-N 3.42Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.76Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.49Å; Q372-E376 PolarHBondContact NE2-OE1 3.03Å; Q372-E376 WeakPolarHBondContact O-CG 3.42Å; Q372-E376 PolarHBondContact O-N 3.11Å
373E96.3Very high95.4Very high89 Ų89107.8 Ų107.842%0.41651%0.514SS..Hα-helixtrans-59.9-36.2176.8-69.3164.2119.500111.8R369 S370 E376 I377R369-E373 HydrophobicContact CB-CB 4.22Å; S370-E373 WeakPolarHBondContact CB-OE2 3.12Å; S370-E373 PolarHBondContact N-OE2 3.37Å; S370-E373 PolarHBondContact O-N 3.15Å; S370-E373 WeakPolarHBondContact OG-CB 3.34Å; S370-E373 VanDerWaalsContact OG-CD 3.29Å; S370-E373 VanDerWaalsContact OG-CG 3.22Å; S370-E373 WeakPolarHBondContact OG-CG 3.43Å; S370-E373 PolarHBondContact OG-N 3.48Å; S370-E373 PolarHBondContact OG-OE2 2.66Å; E373-E376 PolarHBondContact O-N 3.5Å; E373-I377 WeakPolarHBondContact O-CB 3.42Å; E373-I377 WeakPolarHBondContact O-CD1 3.36Å; E373-I377 WeakPolarHBondContact O-CG1 3.31Å; E373-I377 PolarHBondContact O-N 2.86Å
374R96.2Very high95.5Very high115 Ų115105.8 Ų105.843%0.43451%0.51SS..Hα-helixtrans-66.7-37176.1-168.4174.870.6-99.1-0.3111.9S370 D371 Q372 R378S370-R374 PolarHBondContact O-N 3.45Å; D371-R374 PolarHBondContact O-N 3.01Å; D371-R374 IonicContact OD1-CZ 3.68Å; D371-R374 IonicContact OD1-NH1 2.66Å; D371-R374 PolarHBondContact OD1-NH1 2.87Å; D371-R374 IonicContact OD1-NH2 3.96Å; D371-R374 PolarHBondContact OD1-NH2 3.35Å; Q372-R374 PolarHBondContact O-N 3.42Å; R374-R378 VanDerWaalsContact O-CB 3.29Å; R374-R378 WeakPolarHBondContact O-CB 3.48Å; R374-R378 PolarHBondContact O-N 3.14Å
375Q97.2Very high95.8Very high100 Ų100103.5 Ų103.547%0.46750%0.498SS..Hα-helixtrans-69.6-38.1173.7-70.8177.633.100112.2D371 Q372 R378 Q379D371-Q375 WeakPolarHBondContact O-CG 3.36Å; D371-Q375 PolarHBondContact O-N 2.85Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.76Å; Q375-R378 WeakPolarHBondContact O-CB 3.21Å; Q375-R378 PolarHBondContact O-N 3.37Å; Q375-Q379 WeakPolarHBondContact O-CG 3.4Å; Q375-Q379 PolarHBondContact O-N 3.29Å; Q375-Q379 PolarHBondContact O-NE2 3.48Å
376E97.6Very high96Very high84 Ų84101.3 Ų101.339%0.39350%0.495SS..Hα-helixtrans-67.3-45.2175.6-71.9172.6-163.600112Q372 E373 R378 Q379 Q380Q372-E376 WeakPolarHBondContact CG-OE1 3.49Å; Q372-E376 PolarHBondContact NE2-OE1 3.03Å; Q372-E376 WeakPolarHBondContact O-CG 3.42Å; Q372-E376 PolarHBondContact O-N 3.11Å; E373-E376 PolarHBondContact O-N 3.5Å; E376-R378 VanDerWaalsContact C-N 3.29Å; E376-R378 PolarHBondContact O-N 3.41Å; E376-Q379 PolarHBondContact O-N 3.47Å; E376-Q380 WeakPolarHBondContact O-CB 3.43Å; E376-Q380 WeakPolarHBondContact O-CG 3.27Å; E376-Q380 PolarHBondContact O-N 3.23Å
377I97.4Very high96.4Very high66 Ų66102.9 Ų102.934%0.33850%0.502SS..Hα-helixtrans-60-41.6174.1-70.4165.2000110.4E373 Q380 I381E373-I377 WeakPolarHBondContact O-CB 3.42Å; E373-I377 WeakPolarHBondContact O-CD1 3.36Å; E373-I377 WeakPolarHBondContact O-CG1 3.31Å; E373-I377 PolarHBondContact O-N 2.86Å; I377-Q380 PolarHBondContact O-N 3.38Å; I377-I381 HydrophobicContact CG2-CD1 3.77Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 VanDerWaalsContact O-CG1 3.25Å; I377-I381 WeakPolarHBondContact O-CG1 3.45Å; I377-I381 PolarHBondContact O-N 3.07Å
378R97.9Very high96.8Very high140 Ų140106.7 Ų106.753%0.52850%0.502SS..Hα-helixtrans-58.7-53.1174.7174.6-178-58.7-79.5-0.8111.6R374 Q375 E376 Q380 I381 E382R374-R378 VanDerWaalsContact O-CB 3.29Å; R374-R378 WeakPolarHBondContact O-CB 3.48Å; R374-R378 PolarHBondContact O-N 3.14Å; Q375-R378 WeakPolarHBondContact O-CB 3.21Å; Q375-R378 PolarHBondContact O-N 3.37Å; E376-R378 VanDerWaalsContact C-N 3.29Å; E376-R378 PolarHBondContact O-N 3.41Å; R378-Q380 VanDerWaalsContact C-N 3.32Å; R378-Q380 PolarHBondContact O-N 3.4Å; R378-I381 WeakPolarHBondContact O-CB 3.17Å; R378-I381 PolarHBondContact O-N 2.96Å; R378-I381 VanDerWaalsContact O-N 3.08Å; R378-E382 WeakPolarHBondContact CD-OE1 3.41Å; R378-E382 HydrophobicContact CG-CG 4.47Å; R378-E382 WeakPolarHBondContact CG-OE1 3.4Å; R378-E382 WeakPolarHBondContact O-CG 3.23Å; R378-E382 PolarHBondContact O-N 2.9Å
379Q98.4Very high97.2Very high103 Ų103107.4 Ų107.448%0.48150%0.502SS..Hα-helixtrans-59.6-41.2178-73.4171.789.900111.9Q375 E376 I381 E382 M383Q375-Q379 WeakPolarHBondContact O-CG 3.4Å; Q375-Q379 PolarHBondContact O-N 3.29Å; Q375-Q379 PolarHBondContact O-NE2 3.48Å; E376-Q379 PolarHBondContact O-N 3.47Å; Q379-I381 VanDerWaalsContact C-N 3.34Å; Q379-I381 PolarHBondContact O-N 2.96Å; Q379-E382 PolarHBondContact O-N 2.92Å; Q379-M383 WeakPolarHBondContact O-CB 3.4Å; Q379-M383 VanDerWaalsContact O-CG 3.26Å; Q379-M383 WeakPolarHBondContact O-CG 3.44Å; Q379-M383 PolarHBondContact O-N 2.8Å
380Q98.4Very high97.5Very high97 Ų97104.9 Ų104.945%0.45351%0.508SS..Hα-helixtrans-63-38174.6-72.8-176.632.600112.8E376 I377 R378 K384E376-Q380 WeakPolarHBondContact O-CB 3.43Å; E376-Q380 WeakPolarHBondContact O-CG 3.27Å; E376-Q380 PolarHBondContact O-N 3.23Å; I377-Q380 PolarHBondContact O-N 3.38Å; R378-Q380 VanDerWaalsContact C-N 3.32Å; R378-Q380 PolarHBondContact O-N 3.4Å; Q380-K384 VanDerWaalsContact O-CB 3.28Å; Q380-K384 WeakPolarHBondContact O-CB 3.29Å; Q380-K384 WeakPolarHBondContact O-CD 3.35Å; Q380-K384 WeakPolarHBondContact O-CG 3.22Å; Q380-K384 PolarHBondContact O-N 3.36Å
381I98.4Very high97.6Very high99 Ų99108.2 Ų108.251%0.50852%0.517SS..Hα-helixtrans-66.6-46.1174.7-71165.1000109.8I377 R378 Q379 K384 L385I377-I381 HydrophobicContact CG2-CD1 3.77Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 VanDerWaalsContact O-CG1 3.25Å; I377-I381 WeakPolarHBondContact O-CG1 3.45Å; I377-I381 PolarHBondContact O-N 3.07Å; R378-I381 WeakPolarHBondContact O-CB 3.17Å; R378-I381 PolarHBondContact O-N 2.96Å; R378-I381 VanDerWaalsContact O-N 3.08Å; Q379-I381 VanDerWaalsContact C-N 3.34Å; Q379-I381 PolarHBondContact O-N 2.96Å; I381-K384 PolarHBondContact O-N 2.92Å; I381-L385 WeakPolarHBondContact O-CB 3.45Å; I381-L385 PolarHBondContact O-N 3.45Å
382E98.6Very high97.7Very high103 Ų103112.7 Ų112.748%0.48153%0.526SS..Hα-helixtrans-59.5-48.5178.1-73163.9-175.300111.6R378 Q379 K384 L385 A386R378-E382 WeakPolarHBondContact CD-OE1 3.41Å; R378-E382 HydrophobicContact CG-CG 4.47Å; R378-E382 WeakPolarHBondContact CG-OE1 3.4Å; R378-E382 WeakPolarHBondContact O-CG 3.23Å; R378-E382 PolarHBondContact O-N 2.9Å; Q379-E382 PolarHBondContact O-N 2.92Å; E382-K384 PolarHBondContact O-N 2.84Å; E382-L385 PolarHBondContact O-N 3.45Å; E382-A386 VanDerWaalsContact O-CB 3.32Å; E382-A386 WeakPolarHBondContact O-CB 3.42Å; E382-A386 PolarHBondContact O-N 3.32Å
383M98.3Very high97.7Very high144 Ų144110.1 Ų110.171%0.70952%0.519SS*.Hα-helixtrans-60.5-44.7175-69.6173.773.800112.6Q379 K387Q379-M383 WeakPolarHBondContact O-CB 3.4Å; Q379-M383 VanDerWaalsContact O-CG 3.26Å; Q379-M383 WeakPolarHBondContact O-CG 3.44Å; Q379-M383 PolarHBondContact O-N 2.8Å; M383-K387 PolarHBondContact O-N 3.08Å; M383-K387 VanDerWaalsContact O-N 3.14Å
384K98.6Very high97.7Very high131 Ų131108.2 Ų108.257%0.5752%0.519SS*.Hα-helixtrans-65.8-41.2178-76.2167.6-175.6162.90111.4Q380 I381 E382 K387 R388Q380-K384 VanDerWaalsContact O-CB 3.28Å; Q380-K384 WeakPolarHBondContact O-CB 3.29Å; Q380-K384 WeakPolarHBondContact O-CD 3.35Å; Q380-K384 WeakPolarHBondContact O-CG 3.22Å; Q380-K384 PolarHBondContact O-N 3.36Å; I381-K384 PolarHBondContact O-N 2.92Å; E382-K384 PolarHBondContact O-N 2.84Å; K384-K387 PolarHBondContact O-N 3.42Å; K384-R388 WeakPolarHBondContact O-CG 3.43Å; K384-R388 PolarHBondContact O-N 3.02Å
385L98.4Very high97.6Very high94 Ų94106.7 Ų106.749%0.49252%0.522SS..Hα-helixtrans-66.9-47.9179-179.760.7000110.8I381 E382 K387 R388 L389I381-L385 WeakPolarHBondContact O-CB 3.45Å; I381-L385 PolarHBondContact O-N 3.45Å; E382-L385 PolarHBondContact O-N 3.45Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 3.38Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 PolarHBondContact O-N 2.92Å; L385-L389 HydrophobicContact CD1-CD1 4.02Å; L385-L389 HydrophobicContact CD1-CD2 4.46Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CD2-CD1 4.5Å; L385-L389 HydrophobicContact CG-CD1 3.85Å; L385-L389 HydrophobicContact CG-CG 4.24Å; L385-L389 WeakPolarHBondContact O-CB 3.14Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 3.3Å
386A98.2Very high97.4Very high58 Ų58108.9 Ų108.948%0.47953%0.532SS..Hα-helixtrans-54.9-45175.700000111.6E382 R388 L389 S390E382-A386 VanDerWaalsContact O-CB 3.32Å; E382-A386 WeakPolarHBondContact O-CB 3.42Å; E382-A386 PolarHBondContact O-N 3.32Å; A386-R388 PolarHBondContact O-N 3.28Å; A386-L389 PolarHBondContact O-N 2.97Å; A386-S390 PolarHBondContact O-N 2.8Å; A386-S390 PolarHBondContact O-OG 3.26Å
387K98.1Very high97.3Very high128 Ų128108.5 Ų108.556%0.55753%0.53SS*.Hα-helixtrans-64.7-35.2174.9-175.9173.3-179.7174.70113.6M383 K384 L385 S390 Q391M383-K387 PolarHBondContact O-N 3.08Å; M383-K387 VanDerWaalsContact O-N 3.14Å; K384-K387 PolarHBondContact O-N 3.42Å; L385-K387 VanDerWaalsContact C-N 3.29Å; L385-K387 PolarHBondContact O-N 3.38Å; K387-S390 PolarHBondContact O-OG 2.78Å; K387-Q391 WeakPolarHBondContact O-CB 3.35Å; K387-Q391 VanDerWaalsContact O-CG 3.29Å; K387-Q391 WeakPolarHBondContact O-CG 3.42Å; K387-Q391 PolarHBondContact O-N 3.02Å
388R98.1Very high97.3Very high191 Ų191107.8 Ų107.872%0.72153%0.527SS*.Hα-helixtrans-74.2-34.1176-72.8-62.8-170.798.40.5112.5K384 L385 A386 Q391 R392K384-R388 WeakPolarHBondContact O-CG 3.43Å; K384-R388 PolarHBondContact O-N 3.02Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 PolarHBondContact O-N 2.92Å; A386-R388 PolarHBondContact O-N 3.28Å; R388-Q391 CarbonylContact O-C 3.59Å; R388-Q391 PolarHBondContact O-N 3.08Å; R388-R392 PolarHBondContact O-N 3.29Å
389L97.5Very high97Very high100 Ų100103.6 Ų103.652%0.52451%0.513SS..Hα-helixtrans-72.7-38.2177.1-69.3175.1000111.9L385 A386 Q391 R392L385-L389 HydrophobicContact CD1-CD1 4.02Å; L385-L389 HydrophobicContact CD1-CD2 4.46Å; L385-L389 HydrophobicContact CD1-CG 3.98Å; L385-L389 HydrophobicContact CD2-CD1 4.5Å; L385-L389 HydrophobicContact CG-CD1 3.85Å; L385-L389 HydrophobicContact CG-CG 4.24Å; L385-L389 WeakPolarHBondContact O-CB 3.14Å; L385-L389 WeakPolarHBondContact O-CG 3.47Å; L385-L389 PolarHBondContact O-N 3.3Å; A386-L389 PolarHBondContact O-N 2.97Å; L389-Q391 PolarHBondContact O-N 2.96Å; L389-R392 VanDerWaalsContact O-CB 3.24Å; L389-R392 WeakPolarHBondContact O-CB 3.13Å; L389-R392 PolarHBondContact O-N 3.45Å
390S97.1Very high96.7Very high98 Ų98103.3 Ų103.369%0.68552%0.523SS*.Hα-helixtrans-70.3-20.1173.965.90000113.8A386 K387A386-S390 PolarHBondContact O-N 2.8Å; A386-S390 PolarHBondContact O-OG 3.26Å; K387-S390 PolarHBondContact O-OG 2.78Å
391Q96.9Very high96.6Very high127 Ų127105.3 Ų105.359%0.59353%0.526SS*.THydrogen-bonded Turntrans-102.615.9174.9-64-177-21.800113K387 R388 L389 P393K387-Q391 WeakPolarHBondContact O-CB 3.35Å; K387-Q391 VanDerWaalsContact O-CG 3.29Å; K387-Q391 WeakPolarHBondContact O-CG 3.42Å; K387-Q391 PolarHBondContact O-N 3.02Å; R388-Q391 CarbonylContact O-C 3.59Å; R388-Q391 PolarHBondContact O-N 3.08Å; L389-Q391 PolarHBondContact O-N 2.96Å; Q391-P393 WeakPolarHBondContact O-CD 3.41Å
392R97.2Very high96.3Very high193 Ų193106.4 Ų106.473%0.72853%0.533SS*.PPolyproline II helixtrans-70.4119.7-177.8-178.3178.6178.3179.2-0.6110.2R388 L389R388-R392 PolarHBondContact O-N 3.29Å; L389-R392 VanDerWaalsContact O-CB 3.24Å; L389-R392 WeakPolarHBondContact O-CB 3.13Å; L389-R392 PolarHBondContact O-N 3.45Å
393P97.1Very high96Very high53 Ų53107.3 Ų107.334%0.34454%0.54SS..PPolyproline II helixtrans-62151.7175.9-22.534.5000112.4Q391 E397 L398Q391-P393 WeakPolarHBondContact O-CD 3.41Å; P393-E397 HydrophobicContact CB-CB 4.26Å; P393-L398 HydrophobicContact CB-CD2 4.22Å; P393-L398 HydrophobicContact CB-CG 4.4Å
394A96.1Very high95.7Very high49 Ų49103 Ų10341%0.40552%0.52SS..PPolyproline II helixtrans-64160.5172.600000112E397 L398A394-E397 HydrophobicContact CB-CB 4.39Å; A394-E397 HydrophobicContact CB-CG 4.36Å; A394-E397 WeakPolarHBondContact O-CB 3.14Å; A394-E397 PolarHBondContact O-N 2.97Å; A394-L398 PolarHBondContact O-N 2.98Å
395V94.9Very high95.2Very high83 Ų83101 Ų10150%0.50351%0.511SS..Hα-helixtrans-62.4-44.9178.267.40000111.4E397 L398 E399 L404V395-E397 VanDerWaalsContact C-N 3.31Å; V395-E397 PolarHBondContact O-N 2.85Å; V395-L398 WeakPolarHBondContact O-CB 3.45Å; V395-L398 PolarHBondContact O-N 3.02Å; V395-E399 PolarHBondContact O-N 3.38Å; V395-L404 HydrophobicContact CG2-CD2 3.39Å
396E93.2Very high94.3Very high145 Ų145103.4 Ų103.468%0.67852%0.52SS*.Hα-helixtrans-62.5-33176.6-61.9167.9-162.400112.9L398 E399 S400E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.24Å; E396-E399 PolarHBondContact O-N 2.8Å; E396-S400 WeakPolarHBondContact O-CB 3.26Å; E396-S400 PolarHBondContact O-N 2.97Å; E396-S400 PolarHBondContact O-OG 3.33Å
397E95.1Very high92.9Very high77 Ų77111.3 Ų111.336%0.3654%0.537SS..Hα-helixtrans-67.4-31.2172.8-85.6-170.5-113.300112.6P393 A394 V395 S400 R401P393-E397 HydrophobicContact CB-CB 4.26Å; A394-E397 HydrophobicContact CB-CB 4.39Å; A394-E397 HydrophobicContact CB-CG 4.36Å; A394-E397 WeakPolarHBondContact O-CB 3.14Å; A394-E397 PolarHBondContact O-N 2.97Å; V395-E397 VanDerWaalsContact C-N 3.31Å; V395-E397 PolarHBondContact O-N 2.85Å; E397-S400 WeakPolarHBondContact CA-OG 3.46Å; E397-S400 PolarHBondContact O-OG 2.78Å; E397-R401 WeakPolarHBondContact O-CB 3.24Å; E397-R401 WeakPolarHBondContact O-CD 3.44Å; E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.31Å; E397-R401 IonicContact OE2-CZ 2.91Å; E397-R401 IonicContact OE2-NH1 3.5Å; E397-R401 PolarHBondContact OE2-NH1 3.01Å; E397-R401 IonicContact OE2-NH2 3.9Å; E397-R401 PolarHBondContact OE2-NH2 3.07Å
398L95.9Very high91.9Very high50 Ų50108.6 Ų108.626%0.26253%0.529SS..Hα-helixtrans-79.5-31.8175.9-62.3176.5000111.2P393 A394 V395 E396 N402 I403 L404P393-L398 HydrophobicContact CB-CD2 4.22Å; P393-L398 HydrophobicContact CB-CG 4.4Å; A394-L398 PolarHBondContact O-N 2.98Å; V395-L398 WeakPolarHBondContact O-CB 3.45Å; V395-L398 PolarHBondContact O-N 3.02Å; E396-L398 VanDerWaalsContact C-N 3.31Å; E396-L398 PolarHBondContact O-N 3.24Å; L398-N402 PolarHBondContact O-N 3.24Å; L398-I403 HydrophobicContact CB-CB 4.38Å; L398-I403 HydrophobicContact CD2-CB 4.34Å; L398-I403 HydrophobicContact CD2-CD1 4.01Å; L398-I403 HydrophobicContact CD2-CG2 4.29Å; L398-I403 PolarHBondContact O-N 3.37Å; L398-L404 HydrophobicContact CB-CB 3.81Å; L398-L404 PolarHBondContact O-N 2.71Å
399E91.9Very high91.1Very high52 Ų52104.5 Ų104.524%0.24352%0.521CS..Hα-helixtrans-68.4-50.4174.1-69.2175.1-169.300111.9V395 E396 R401 N402 L404 Q406V395-E399 PolarHBondContact O-N 3.38Å; E396-E399 PolarHBondContact O-N 2.8Å; E399-R401 PolarHBondContact O-N 2.96Å; E399-N402 WeakPolarHBondContact O-CA 3.46Å; E399-N402 PolarHBondContact O-N 3.09Å; E399-L404 WeakPolarHBondContact CA-O 3.46Å; E399-L404 HydrophobicContact CG-CB 4.14Å; E399-L404 HydrophobicContact CG-CD2 4.14Å; E399-L404 HydrophobicContact CG-CG 4.2Å; E399-Q406 VanDerWaalsContact CD-CG 3.5Å; E399-Q406 HydrophobicContact CG-CG 4.23Å; E399-Q406 VanDerWaalsContact OE2-CG 3.29Å; E399-Q406 WeakPolarHBondContact OE2-CG 3.17Å; E399-Q406 PolarHBondContact OE2-NE2 3.3Å
400S93.3Very high90.6Very high98 Ų98106.6 Ų106.669%0.68553%0.528SS*.Hα-helixtrans-62.1-28.2175.852.80000113.6E396 E397 N402E396-S400 WeakPolarHBondContact O-CB 3.26Å; E396-S400 PolarHBondContact O-N 2.97Å; E396-S400 PolarHBondContact O-OG 3.33Å; E397-S400 WeakPolarHBondContact CA-OG 3.46Å; E397-S400 PolarHBondContact O-OG 2.78Å; S400-N402 VanDerWaalsContact C-N 3.3Å
401R96.3Very high90.1Very high138 Ų138105.8 Ų105.852%0.52152%0.515SS..THydrogen-bonded Turntrans-84.43.8171.4-68.3176.1-172.1133.111.4114.1E397 E399 I403E397-R401 WeakPolarHBondContact O-CB 3.24Å; E397-R401 WeakPolarHBondContact O-CD 3.44Å; E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.31Å; E397-R401 IonicContact OE2-CZ 2.91Å; E397-R401 IonicContact OE2-NH1 3.5Å; E397-R401 PolarHBondContact OE2-NH1 3.01Å; E397-R401 IonicContact OE2-NH2 3.9Å; E397-R401 PolarHBondContact OE2-NH2 3.07Å; E399-R401 PolarHBondContact O-N 2.96Å; R401-I403 HydrophobicContact CB-CD1 3.89Å; R401-I403 HydrophobicContact CB-CG1 4.03Å; R401-I403 PolarHBondContact O-N 2.66Å
402N90.7Very high89.7Confident123 Ų123103.7 Ų103.766%0.65851%0.505SS*.THydrogen-bonded Turntrans5822.3-177-149.8-106.3000114.5L398 E399 S400L398-N402 PolarHBondContact O-N 3.24Å; E399-N402 WeakPolarHBondContact O-CA 3.46Å; E399-N402 PolarHBondContact O-N 3.09Å; S400-N402 VanDerWaalsContact C-N 3.3Å
403I93.7Very high89.2Confident121 Ų121100.2 Ų100.262%0.62150%0.498SS*.SBendtrans-84.7-39.4177.4-61.7170.8000110L398 R401L398-I403 HydrophobicContact CB-CB 4.38Å; L398-I403 HydrophobicContact CD2-CB 4.34Å; L398-I403 HydrophobicContact CD2-CD1 4.01Å; L398-I403 HydrophobicContact CD2-CG2 4.29Å; L398-I403 PolarHBondContact O-N 3.37Å; R401-I403 HydrophobicContact CB-CD1 3.89Å; R401-I403 HydrophobicContact CB-CG1 4.03Å; R401-I403 PolarHBondContact O-N 2.66Å
404L91.4Very high89.1Confident54 Ų54102.8 Ų102.828%0.28351%0.505SS..SBendtrans-107.2128.3172-176.663.6000108.4V395 L398 E399V395-L404 HydrophobicContact CG2-CD2 3.39Å; L398-L404 HydrophobicContact CB-CB 3.81Å; L398-L404 PolarHBondContact O-N 2.71Å; E399-L404 WeakPolarHBondContact CA-O 3.46Å; E399-L404 HydrophobicContact CG-CB 4.14Å; E399-L404 HydrophobicContact CG-CD2 4.14Å; E399-L404 HydrophobicContact CG-CG 4.2Å
405K87.9Confident88.9Confident89 Ų89105.6 Ų105.639%0.38751%0.51SS..  trans-88132.9168.6-72174166.8-70.20108.7R407 E412K405-R407 PolarHBondContact O-N 3.07Å; K405-E412 IonicContact NZ-OE1 2.68Å; K405-E412 PolarHBondContact NZ-OE1 3.49Å; K405-E412 IonicContact NZ-OE2 3.13Å; K405-E412 PolarHBondContact NZ-OE2 2.85Å
406Q79.2Confident88.9Confident145 Ų145110.8 Ų110.868%0.67852%0.52SS*.  trans-57.8119.9160.2-72-177.6-4.400106.8E399 N408E399-Q406 VanDerWaalsContact CD-CG 3.5Å; E399-Q406 HydrophobicContact CG-CG 4.23Å; E399-Q406 VanDerWaalsContact OE2-CG 3.29Å; E399-Q406 WeakPolarHBondContact OE2-CG 3.17Å; E399-Q406 PolarHBondContact OE2-NE2 3.3Å; Q406-N408 PolarHBondContact O-N 3.42Å
407R68.6Low89Confident223 Ų223110.9 Ų110.984%0.84251%0.514SS*.SBendtrans-71.790.1-168.1-76.8-172.4178.481.6-1.8111.3K405K405-R407 PolarHBondContact O-N 3.07Å
408N77.3Confident89.1Confident72 Ų72112.5 Ų112.539%0.38552%0.522SS..  trans-152.880.1156.6-158.1-26.1000111Q406 Q410 I411 E412Q406-N408 PolarHBondContact O-N 3.42Å; N408-Q410 PolarHBondContact O-N 2.94Å; N408-Q410 VanDerWaalsContact O-N 3.09Å; N408-Q410 PolarHBondContact OD1-N 2.95Å; N408-I411 HydrophobicContact CB-CB 4.06Å; N408-I411 HydrophobicContact CB-CD1 4.21Å; N408-I411 HydrophobicContact CB-CG1 4.21Å; N408-I411 WeakPolarHBondContact ND2-CD1 3.39Å; N408-I411 WeakPolarHBondContact ND2-CG1 3.46Å; N408-I411 PolarHBondContact O-N 3.28Å; N408-I411 VanDerWaalsContact O-N 3.07Å; N408-I411 PolarHBondContact OD1-N 2.98Å; N408-E412 PolarHBondContact O-N 3.43Å
409D81.9Confident89.2Confident104 Ų104115.3 Ų115.356%0.55654%0.536SS*.Hα-helixtrans-57-25.3178.9-63.6-9.9000112.4Q413D409-Q413 WeakPolarHBondContact O-CB 3.48Å; D409-Q413 WeakPolarHBondContact O-CG 3.47Å; D409-Q413 PolarHBondContact O-N 3.37Å; D409-Q413 VanDerWaalsContact O-N 3.08Å; D409-Q413 PolarHBondContact O-NE2 3.29Å
410Q86.3Confident89.5Confident144 Ų144120.4 Ų120.467%0.67356%0.557SS**Hα-helixtrans-73.6-44.8175.7-66.2-176.6-9.500111.8N408 Q413 E414N408-Q410 PolarHBondContact O-N 2.94Å; N408-Q410 VanDerWaalsContact O-N 3.09Å; N408-Q410 PolarHBondContact OD1-N 2.95Å; Q410-Q413 PolarHBondContact O-N 3.14Å; Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 PolarHBondContact O-N 3.38Å
411I87.4Confident89.7Confident82 Ų82122 Ų12242%0.42155%0.554SS.*Hα-helixtrans-63.6-44.1173.6-69.1179.1000110.4N408 Q413 E414 E415N408-I411 HydrophobicContact CB-CB 4.06Å; N408-I411 HydrophobicContact CB-CD1 4.21Å; N408-I411 HydrophobicContact CB-CG1 4.21Å; N408-I411 WeakPolarHBondContact ND2-CD1 3.39Å; N408-I411 WeakPolarHBondContact ND2-CG1 3.46Å; N408-I411 PolarHBondContact O-N 3.28Å; N408-I411 VanDerWaalsContact O-N 3.07Å; N408-I411 PolarHBondContact OD1-N 2.98Å; I411-Q413 VanDerWaalsContact C-N 3.26Å; I411-Q413 PolarHBondContact O-N 2.96Å; I411-E414 CarbonylContact O-C 3.59Å; I411-E414 WeakPolarHBondContact O-CA 3.48Å; I411-E414 WeakPolarHBondContact O-CB 3.38Å; I411-E414 PolarHBondContact O-N 2.98Å; I411-E415 HydrophobicContact CG2-CG 4.14Å; I411-E415 WeakPolarHBondContact O-CG 3.37Å; I411-E415 PolarHBondContact O-N 3.42Å
412E87.6Confident89.8Confident82 Ų82121.6 Ų121.638%0.38355%0.553SS.*Hα-helixtrans-60.7-37.5176.7-176.317816800111.7K405 N408 R416K405-E412 IonicContact NZ-OE1 2.68Å; K405-E412 PolarHBondContact NZ-OE1 3.49Å; K405-E412 IonicContact NZ-OE2 3.13Å; K405-E412 PolarHBondContact NZ-OE2 2.85Å; N408-E412 PolarHBondContact O-N 3.43Å; E412-R416 WeakPolarHBondContact O-CB 3.46Å; E412-R416 PolarHBondContact O-N 3.47Å
413Q88.2Confident90.1Very high121 Ų121120.4 Ų120.457%0.56555%0.545SS*.Hα-helixtrans-69.9-32.9173.4-75.2173.841.800113D409 Q410 I411 R417D409-Q413 WeakPolarHBondContact O-CB 3.48Å; D409-Q413 WeakPolarHBondContact O-CG 3.47Å; D409-Q413 PolarHBondContact O-N 3.37Å; D409-Q413 VanDerWaalsContact O-N 3.08Å; D409-Q413 PolarHBondContact O-NE2 3.29Å; Q410-Q413 PolarHBondContact O-N 3.14Å; I411-Q413 VanDerWaalsContact C-N 3.26Å; I411-Q413 PolarHBondContact O-N 2.96Å; Q413-R417 WeakPolarHBondContact O-CB 3.45Å; Q413-R417 WeakPolarHBondContact O-CG 3.38Å; Q413-R417 PolarHBondContact O-N 3.38Å; Q413-R417 PolarHBondContact O-NE 3.39Å
414E93.3Very high90.3Very high107 Ų107118.9 Ų118.950%0.554%0.539SS..Hα-helixtrans-68.3-53.7173.8-174.3135.2-105.900111.9Q410 I411 R416 R417 E418Q410-E414 WeakPolarHBondContact O-CB 3.47Å; Q410-E414 PolarHBondContact O-N 3.38Å; I411-E414 CarbonylContact O-C 3.59Å; I411-E414 WeakPolarHBondContact O-CA 3.48Å; I411-E414 WeakPolarHBondContact O-CB 3.38Å; I411-E414 PolarHBondContact O-N 2.98Å; E414-R416 PolarHBondContact O-N 2.94Å; E414-R417 CarbonylContact O-C 3.6Å; E414-R417 WeakPolarHBondContact O-CA 3.12Å; E414-R417 WeakPolarHBondContact O-CB 3.4Å; E414-R417 PolarHBondContact O-N 2.58Å; E414-R417 IonicContact OE1-CZ 2.78Å; E414-R417 IonicContact OE1-NH1 2.71Å; E414-R417 IonicContact OE1-NH2 3.24Å; E414-R417 PolarHBondContact OE1-NH2 3.09Å; E414-E418 PolarHBondContact O-N 3.34Å
415E93.6Very high90.6Very high108 Ų108122.3 Ų122.351%0.50555%0.548SS..Hα-helixtrans-53.2-43.9172.5-70.3-177.6168.100110.7I411 R417 E418 I419I411-E415 HydrophobicContact CG2-CG 4.14Å; I411-E415 WeakPolarHBondContact O-CG 3.37Å; I411-E415 PolarHBondContact O-N 3.42Å; E415-R417 PolarHBondContact O-N 3.1Å; E415-E418 PolarHBondContact O-N 2.9Å; E415-I419 VanDerWaalsContact O-CB 3.26Å; E415-I419 WeakPolarHBondContact O-CB 3.4Å; E415-I419 WeakPolarHBondContact O-CD1 3.36Å; E415-I419 WeakPolarHBondContact O-CG1 3.47Å; E415-I419 PolarHBondContact O-N 3.1Å
416R94.5Very high91Very high191 Ų191124.5 Ų124.572%0.72156%0.557SS**Hα-helixtrans-65.6-35.7177-171.1176.2-176.6-169.21.3112.9E412 E414 K420E412-R416 WeakPolarHBondContact O-CB 3.46Å; E412-R416 PolarHBondContact O-N 3.47Å; E414-R416 PolarHBondContact O-N 2.94Å; R416-K420 VanDerWaalsContact O-CB 3.27Å; R416-K420 WeakPolarHBondContact O-CB 3.35Å; R416-K420 PolarHBondContact O-N 3.17Å; R416-K420 VanDerWaalsContact O-N 3.11Å
417R95.9Very high91.8Very high147 Ų147122.2 Ų122.256%0.55555%0.549SS*.Hα-helixtrans-67.9-45.7172.8-78.3178.5-63.4137.55.5110.7Q413 E414 E415 K420 Q421Q413-R417 WeakPolarHBondContact O-CB 3.45Å; Q413-R417 WeakPolarHBondContact O-CG 3.38Å; Q413-R417 PolarHBondContact O-N 3.38Å; Q413-R417 PolarHBondContact O-NE 3.39Å; E414-R417 CarbonylContact O-C 3.6Å; E414-R417 WeakPolarHBondContact O-CA 3.12Å; E414-R417 WeakPolarHBondContact O-CB 3.4Å; E414-R417 PolarHBondContact O-N 2.58Å; E414-R417 IonicContact OE1-CZ 2.78Å; E414-R417 IonicContact OE1-NH1 2.71Å; E414-R417 IonicContact OE1-NH2 3.24Å; E414-R417 PolarHBondContact OE1-NH2 3.09Å; E415-R417 PolarHBondContact O-N 3.1Å; R417-K420 PolarHBondContact O-N 3Å; R417-Q421 WeakPolarHBondContact O-CB 3.38Å; R417-Q421 PolarHBondContact O-N 2.84Å
418E96.8Very high93.1Very high112 Ų112117.2 Ų117.252%0.52354%0.539SS..Hα-helixtrans-64.6-47.4179.1-161.7-146138.900111.4E414 E415 K420 Q421 R422E414-E418 PolarHBondContact O-N 3.34Å; E415-E418 PolarHBondContact O-N 2.9Å; E418-K420 VanDerWaalsContact C-N 3.29Å; E418-K420 PolarHBondContact O-N 3.18Å; E418-Q421 PolarHBondContact O-N 3.14Å; E418-Q421 VanDerWaalsContact O-N 3.14Å; E418-R422 WeakPolarHBondContact O-CB 3.18Å; E418-R422 PolarHBondContact O-N 3.23Å
419I97.1Very high93.9Very high108 Ų108120.7 Ų120.755%0.55455%0.553SS**Hα-helixtrans-57-43.8174.2-70.7164.4000110.4E415 L423E415-I419 VanDerWaalsContact O-CB 3.26Å; E415-I419 WeakPolarHBondContact O-CB 3.4Å; E415-I419 WeakPolarHBondContact O-CD1 3.36Å; E415-I419 WeakPolarHBondContact O-CG1 3.47Å; E415-I419 PolarHBondContact O-N 3.1Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 PolarHBondContact O-N 3.11Å
420K98.1Very high94.5Very high159 Ų159123.7 Ų123.769%0.69156%0.557SS**Hα-helixtrans-63.8-43.7176.4-175.3-176.2177.8-171.40111.8R416 R417 E418 N424R416-K420 VanDerWaalsContact O-CB 3.27Å; R416-K420 WeakPolarHBondContact O-CB 3.35Å; R416-K420 PolarHBondContact O-N 3.17Å; R416-K420 VanDerWaalsContact O-N 3.11Å; R417-K420 PolarHBondContact O-N 3Å; E418-K420 VanDerWaalsContact C-N 3.29Å; E418-K420 PolarHBondContact O-N 3.18Å; K420-N424 WeakPolarHBondContact O-CB 3.42Å; K420-N424 PolarHBondContact O-N 3.24Å
421Q97.9Very high94.8Very high131 Ų131119.4 Ų119.461%0.61254%0.541SS*.Hα-helixtrans-66.9-44.8178.7-168.1-171.829.100111.6R417 E418 N424 R425R417-Q421 WeakPolarHBondContact O-CB 3.38Å; R417-Q421 PolarHBondContact O-N 2.84Å; E418-Q421 PolarHBondContact O-N 3.14Å; E418-Q421 VanDerWaalsContact O-N 3.14Å; Q421-N424 PolarHBondContact O-N 2.97Å; Q421-R425 PolarHBondContact O-N 3.21Å
422R97.8Very high95Very high131 Ų131118.9 Ų118.949%0.49454%0.542SS..Hα-helixtrans-62.4-42.2175.7-174.4179.4-176.1-165.52.7111.6E418 K426E418-R422 WeakPolarHBondContact O-CB 3.18Å; E418-R422 PolarHBondContact O-N 3.23Å; R422-K426 WeakPolarHBondContact O-CG 3.5Å; R422-K426 PolarHBondContact O-N 3.18Å
423L98.1Very high95.1Very high97 Ų97115.9 Ų115.951%0.50853%0.529SS..Hα-helixtrans-65.5-44.6174.3178.861.4000111.3I419 R425 K426 L427I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 PolarHBondContact O-N 3.11Å; L423-R425 PolarHBondContact O-N 3.05Å; L423-K426 PolarHBondContact O-N 3.39Å; L423-L427 HydrophobicContact CD1-CD1 4.02Å; L423-L427 HydrophobicContact CD1-CG 4.04Å; L423-L427 HydrophobicContact CG-CD1 3.9Å; L423-L427 HydrophobicContact CG-CG 4.33Å; L423-L427 WeakPolarHBondContact O-CB 3.46Å; L423-L427 WeakPolarHBondContact O-CG 3.28Å; L423-L427 PolarHBondContact O-N 3.13Å
424N97.4Very high95.2Very high89 Ų89114 Ų11448%0.47652%0.523SS..Hα-helixtrans-59.7-47.4176.8-175.7-96.6000111.4K420 Q421 K426 L427 N428K420-N424 WeakPolarHBondContact O-CB 3.42Å; K420-N424 PolarHBondContact O-N 3.24Å; Q421-N424 PolarHBondContact O-N 2.97Å; N424-K426 VanDerWaalsContact C-N 3.33Å; N424-K426 PolarHBondContact O-N 3.44Å; N424-L427 PolarHBondContact O-N 2.86Å; N424-L427 VanDerWaalsContact O-N 3.13Å; N424-N428 PolarHBondContact O-N 3.03Å; N424-N428 PolarHBondContact O-ND2 3.19Å; N424-N428 PolarHBondContact O-OD1 2.88Å; N424-N428 PolarHBondContact OD1-ND2 2.84Å
425R97.3Very high95.1Very high127 Ų127111.8 Ų111.848%0.47951%0.513SS..Hα-helixtrans-55.1-46.1173.7-174.8169.969.8-119.99.4112.2Q421 L423 N428 Q429Q421-R425 PolarHBondContact O-N 3.21Å; L423-R425 PolarHBondContact O-N 3.05Å; R425-N428 PolarHBondContact O-N 3.16Å; R425-Q429 WeakPolarHBondContact O-CB 3.32Å; R425-Q429 WeakPolarHBondContact O-CG 3.36Å; R425-Q429 PolarHBondContact O-N 2.79Å; R425-Q429 VanDerWaalsContact O-N 3.08Å
426K97.4Very high95.1Very high134 Ų134108.5 Ų108.558%0.58350%0.499SS*.Hα-helixtrans-65.2-34.7176.7-78.8-171.3170.8-1660114R422 L423 N424R422-K426 WeakPolarHBondContact O-CG 3.5Å; R422-K426 PolarHBondContact O-N 3.18Å; L423-K426 PolarHBondContact O-N 3.39Å; N424-K426 VanDerWaalsContact C-N 3.33Å; N424-K426 PolarHBondContact O-N 3.44Å
427L95.8Very high94.9Very high98 Ų98105.1 Ų105.151%0.51349%0.486SS..Hα-helixtrans-76.8-31.8178.5-72174.2000112.4L423 N424 R430L423-L427 HydrophobicContact CD1-CD1 4.02Å; L423-L427 HydrophobicContact CD1-CG 4.04Å; L423-L427 HydrophobicContact CG-CD1 3.9Å; L423-L427 HydrophobicContact CG-CG 4.33Å; L423-L427 WeakPolarHBondContact O-CB 3.46Å; L423-L427 WeakPolarHBondContact O-CG 3.28Å; L423-L427 PolarHBondContact O-N 3.13Å; N424-L427 PolarHBondContact O-N 2.86Å; N424-L427 VanDerWaalsContact O-N 3.13Å; L427-R430 WeakPolarHBondContact O-CB 3.18Å
428N94.9Very high94.7Very high117 Ų117104.2 Ų104.263%0.62649%0.492SS*.Hα-helixtrans-72.4-35.2174.3-59.8-14.9000111.3N424 R425 R430N424-N428 PolarHBondContact O-N 3.03Å; N424-N428 PolarHBondContact O-ND2 3.19Å; N424-N428 PolarHBondContact O-OD1 2.88Å; N424-N428 PolarHBondContact OD1-ND2 2.84Å; R425-N428 PolarHBondContact O-N 3.16Å; N428-R430 PolarHBondContact O-N 3.31Å
429Q94.8Very high94.6Very high145 Ų145105.4 Ų105.468%0.67849%0.492SS*.THydrogen-bonded Turntrans-87.631.3174.9-64.4175.5-12.900112.5R425 P431R425-Q429 WeakPolarHBondContact O-CB 3.32Å; R425-Q429 WeakPolarHBondContact O-CG 3.36Å; R425-Q429 PolarHBondContact O-N 2.79Å; R425-Q429 VanDerWaalsContact O-N 3.08Å; Q429-P431 WeakPolarHBondContact O-CD 3.43Å
430R94.3Very high94.3Very high167 Ų167108.3 Ų108.363%0.6350%0.5SS*.PPolyproline II helixtrans-80.7121.5-178.4-177.5178.1-175.3-178.41.9110.1L427 N428L427-R430 WeakPolarHBondContact O-CB 3.18Å; N428-R430 PolarHBondContact O-N 3.31Å
431P93.8Very high93.9Very high54 Ų54105.8 Ų105.835%0.35149%0.493SS..PPolyproline II helixtrans-58.2147.3175.8-26.936.6000113.2Q429 E435 L436Q429-P431 WeakPolarHBondContact O-CD 3.43Å; P431-E435 HydrophobicContact CB-CB 4.42Å; P431-L436 HydrophobicContact CB-CD2 4.03Å; P431-L436 HydrophobicContact CB-CG 4.04Å; P431-L436 HydrophobicContact CG-CD2 4.47Å
432T91.7Very high93.4Very high72 Ų72101 Ų10144%0.44247%0.472SS..PPolyproline II helixtrans-70.5165.4170.759.50000112.3D434 E435 L436T432-D434 VanDerWaalsContact C-N 3.33Å; T432-E435 WeakPolarHBondContact CB-OE1 3.48Å; T432-E435 PolarHBondContact N-OE1 3.27Å; T432-E435 WeakPolarHBondContact OG1-CB 3.48Å; T432-E435 VanDerWaalsContact OG1-CG 3.23Å; T432-E435 WeakPolarHBondContact OG1-CG 3.39Å; T432-E435 PolarHBondContact OG1-N 3.31Å; T432-E435 PolarHBondContact OG1-OE1 3.19Å; T432-L436 WeakPolarHBondContact O-CG 3.44Å; T432-L436 PolarHBondContact O-N 3.27Å
433V89.8Confident92.6Very high18 Ų18101.4 Ų101.411%0.10948%0.482CS..Hα-helixtrans-68.3-35.1179.8-170.40000111.3L436 R437 L442 Y448V433-L436 PolarHBondContact O-N 2.81Å; V433-R437 WeakPolarHBondContact O-CG 3.28Å; V433-R437 PolarHBondContact O-N 3.16Å; V433-R437 VanDerWaalsContact O-N 3.11Å; V433-R437 PolarHBondContact O-NE 3.05Å; V433-L442 HydrophobicContact CG1-CD1 3.79Å; V433-Y448 HydrophobicContact CB-CD1 4.34Å; V433-Y448 HydrophobicContact CB-CE1 4.47Å; V433-Y448 HydrophobicContact CG1-CD1 3.65Å; V433-Y448 HydrophobicContact CG1-CD2 4.38Å; V433-Y448 HydrophobicContact CG1-CE1 4.25Å; V433-Y448 HydrophobicContact CG1-CG 3.74Å; V433-Y448 HydrophobicContact CG2-CD1 3.65Å; V433-Y448 HydrophobicContact CG2-CD2 4.26Å; V433-Y448 HydrophobicContact CG2-CE1 3.35Å; V433-Y448 HydrophobicContact CG2-CE2 3.97Å; V433-Y448 HydrophobicContact CG2-CG 4.11Å; V433-Y448 VanDerWaalsContact CG2-CZ 3.5Å
434D88.8Confident91.9Very high83 Ų83104.6 Ų104.644%0.44449%0.488SS..Hα-helixtrans-66-50.5175.7-57.7-69.5000110.8T432 L436 R437 D438T432-D434 VanDerWaalsContact C-N 3.33Å; D434-L436 PolarHBondContact O-N 3.11Å; D434-L436 VanDerWaalsContact O-N 3.12Å; D434-R437 CarbonylContact O-C 3.57Å; D434-R437 WeakPolarHBondContact O-CA 3.49Å; D434-R437 WeakPolarHBondContact O-CB 3.37Å; D434-R437 PolarHBondContact O-N 3.34Å; D434-R437 IonicContact OD1-CZ 3.79Å; D434-R437 IonicContact OD1-NE 2.92Å; D434-R437 IonicContact OD1-NH1 2.65Å; D434-R437 PolarHBondContact OD1-NH1 3.35Å; D434-R437 IonicContact OD1-NH2 3.11Å; D434-R437 PolarHBondContact OD1-NH2 3.2Å; D434-R437 IonicContact OD2-NH2 3.81Å; D434-D438 PolarHBondContact O-N 3.25Å
435E92.4Very high90.9Very high59 Ų59110 Ų11028%0.27651%0.507SS..Hα-helixtrans-54.3-35.9174.2-80.1172.9-98.900113.8P431 T432 R439P431-E435 HydrophobicContact CB-CB 4.42Å; T432-E435 WeakPolarHBondContact CB-OE1 3.48Å; T432-E435 PolarHBondContact N-OE1 3.27Å; T432-E435 WeakPolarHBondContact OG1-CB 3.48Å; T432-E435 VanDerWaalsContact OG1-CG 3.23Å; T432-E435 WeakPolarHBondContact OG1-CG 3.39Å; T432-E435 PolarHBondContact OG1-N 3.31Å; T432-E435 PolarHBondContact OG1-OE1 3.19Å; E435-R439 VanDerWaalsContact O-CB 3.31Å; E435-R439 WeakPolarHBondContact O-CB 3.36Å; E435-R439 WeakPolarHBondContact O-CG 3.41Å; E435-R439 PolarHBondContact O-N 3.19Å; E435-R439 IonicContact OE2-CZ 4Å; E435-R439 VanDerWaalsContact OE2-CZ 3.24Å; E435-R439 IonicContact OE2-NH1 2.66Å; E435-R439 PolarHBondContact OE2-NH1 3.01Å; E435-R439 IonicContact OE2-NH2 3.46Å; E435-R439 PolarHBondContact OE2-NH2 3.35Å
436L92.9Very high90.1Very high40 Ų40107.1 Ų107.121%0.20951%0.507CS..Hα-helixtrans-75.3-26.4177.3-68.9175000112.5P431 T432 V433 D434 K440 I441 L442P431-L436 HydrophobicContact CB-CD2 4.03Å; P431-L436 HydrophobicContact CB-CG 4.04Å; P431-L436 HydrophobicContact CG-CD2 4.47Å; T432-L436 WeakPolarHBondContact O-CG 3.44Å; T432-L436 PolarHBondContact O-N 3.27Å; V433-L436 PolarHBondContact O-N 2.81Å; D434-L436 PolarHBondContact O-N 3.11Å; D434-L436 VanDerWaalsContact O-N 3.12Å; L436-K440 PolarHBondContact O-N 2.84Å; L436-I441 HydrophobicContact CB-CB 4.49Å; L436-I441 HydrophobicContact CD2-CB 4.29Å; L436-I441 HydrophobicContact CD2-CD1 3.75Å; L436-I441 HydrophobicContact CD2-CG2 4.29Å; L436-I441 WeakPolarHBondContact O-CA 3.06Å; L436-I441 WeakPolarHBondContact O-CB 3.29Å; L436-I441 PolarHBondContact O-N 2.85Å; L436-L442 HydrophobicContact CB-CD1 3.66Å; L436-L442 HydrophobicContact CB-CG 3.88Å; L436-L442 HydrophobicContact CD1-CD1 4.09Å; L436-L442 PolarHBondContact O-N 3.1Å
437R89.4Confident89.5Confident119 Ų119103.5 Ų103.545%0.44949%0.494SS..Hα-helixtrans-74.2-44169.9-77.5178-87.2157.3-9.7111V433 D434 R439 K440 L442V433-R437 WeakPolarHBondContact O-CG 3.28Å; V433-R437 PolarHBondContact O-N 3.16Å; V433-R437 VanDerWaalsContact O-N 3.11Å; V433-R437 PolarHBondContact O-NE 3.05Å; D434-R437 CarbonylContact O-C 3.57Å; D434-R437 WeakPolarHBondContact O-CA 3.49Å; D434-R437 WeakPolarHBondContact O-CB 3.37Å; D434-R437 PolarHBondContact O-N 3.34Å; D434-R437 IonicContact OD1-CZ 3.79Å; D434-R437 IonicContact OD1-NE 2.92Å; D434-R437 IonicContact OD1-NH1 2.65Å; D434-R437 PolarHBondContact OD1-NH1 3.35Å; D434-R437 IonicContact OD1-NH2 3.11Å; D434-R437 PolarHBondContact OD1-NH2 3.2Å; D434-R437 IonicContact OD2-NH2 3.81Å; R437-R439 PolarHBondContact O-N 3.11Å; R437-K440 WeakPolarHBondContact O-CA 3.46Å; R437-K440 PolarHBondContact O-N 3.4Å; R437-L442 HydrophobicContact CG-CB 3.94Å
438D92.4Very high88.8Confident129 Ų129103.5 Ų103.569%0.6949%0.488SS*.Hα-helixtrans-61.7-42.2177.2-65.1-20.8000111.9D434 K440D434-D438 PolarHBondContact O-N 3.25Å; D438-K440 PolarHBondContact O-N 3.37Å
439R94.3Very high87.8Confident137 Ų137103.2 Ų103.252%0.51749%0.49SS..THydrogen-bonded Turntrans-72.62.9172-66.7174.6-169.51277.9113.7E435 R437 I441E435-R439 VanDerWaalsContact O-CB 3.31Å; E435-R439 WeakPolarHBondContact O-CB 3.36Å; E435-R439 WeakPolarHBondContact O-CG 3.41Å; E435-R439 PolarHBondContact O-N 3.19Å; E435-R439 IonicContact OE2-CZ 4Å; E435-R439 VanDerWaalsContact OE2-CZ 3.24Å; E435-R439 IonicContact OE2-NH1 2.66Å; E435-R439 PolarHBondContact OE2-NH1 3.01Å; E435-R439 IonicContact OE2-NH2 3.46Å; E435-R439 PolarHBondContact OE2-NH2 3.35Å; R437-R439 PolarHBondContact O-N 3.11Å; R439-I441 HydrophobicContact CB-CD1 3.86Å; R439-I441 HydrophobicContact CB-CG1 4.08Å; R439-I441 PolarHBondContact O-N 2.89Å
440K90.6Very high87Confident168 Ų168102.4 Ų102.473%0.7349%0.486SS*.THydrogen-bonded Turntrans55.132.8-179-55.3177.7-176.3175.80113.8L436 R437 D438 I443L436-K440 PolarHBondContact O-N 2.84Å; R437-K440 WeakPolarHBondContact O-CA 3.46Å; R437-K440 PolarHBondContact O-N 3.4Å; D438-K440 PolarHBondContact O-N 3.37Å; K440-I443 WeakPolarHBondContact O-CG1 3.38Å
441I90.1Very high85.8Confident106 Ų106101.2 Ų101.254%0.54450%0.497SS..SBendtrans-87.6-39.2175.4-62.6168.1000110L436 R439L436-I441 HydrophobicContact CB-CB 4.49Å; L436-I441 HydrophobicContact CD2-CB 4.29Å; L436-I441 HydrophobicContact CD2-CD1 3.75Å; L436-I441 HydrophobicContact CD2-CG2 4.29Å; L436-I441 WeakPolarHBondContact O-CA 3.06Å; L436-I441 WeakPolarHBondContact O-CB 3.29Å; L436-I441 PolarHBondContact O-N 2.85Å; R439-I441 HydrophobicContact CB-CD1 3.86Å; R439-I441 HydrophobicContact CB-CG1 4.08Å; R439-I441 PolarHBondContact O-N 2.89Å
442L87.4Confident85.2Confident30 Ų30102.8 Ų102.816%0.15752%0.515CS..SBendtrans-9983.2171.5-66.4174.4000109.3V433 L436 R437 D447 Y448V433-L442 HydrophobicContact CG1-CD1 3.79Å; L436-L442 HydrophobicContact CB-CD1 3.66Å; L436-L442 HydrophobicContact CB-CG 3.88Å; L436-L442 HydrophobicContact CD1-CD1 4.09Å; L436-L442 PolarHBondContact O-N 3.1Å; R437-L442 HydrophobicContact CG-CB 3.94Å; L442-D447 HydrophobicContact CD2-CB 3.78Å; L442-Y448 HydrophobicContact CD1-CD2 4.28Å; L442-Y448 HydrophobicContact CD1-CG 4.31Å
443I82Confident84.5Confident140 Ų140109.4 Ų109.472%0.71854%0.537SS*.  trans-77.5-31.5-170.7-58.5176.1000111.9K440K440-I443 WeakPolarHBondContact O-CG1 3.38Å
444R83.4Confident84.1Confident165 Ų165112.1 Ų112.162%0.62356%0.561SS**SBendtrans-107.6146.5-179.7-54.9175.5-64.6-133.7-2.7111.5S446 D447R444-S446 PolarHBondContact O-N 3.42Å; R444-D447 WeakPolarHBondContact CB-OD2 3.17Å; R444-D447 IonicContact CZ-OD1 2.71Å; R444-D447 VanDerWaalsContact CZ-OD1 3.24Å; R444-D447 PolarHBondContact N-OD2 3.1Å; R444-D447 IonicContact NE-OD1 2.71Å; R444-D447 PolarHBondContact NE-OD1 2.99Å; R444-D447 IonicContact NE-OD2 2.6Å; R444-D447 PolarHBondContact NE-OD2 2.99Å; R444-D447 IonicContact NH2-OD1 3.17Å; R444-D447 PolarHBondContact NH2-OD1 2.8Å; R444-D447 IonicContact NH2-OD2 2.83Å; R444-D447 PolarHBondContact O-N 3.28Å
445F75.4Confident83.7Confident201 Ų201116.4 Ų116.488%0.88258%0.579SS**THydrogen-bonded Turntrans-57.6-18.2176.577.6-88.5000114.5
446S81.4Confident83.1Confident67 Ų67121.3 Ų121.347%0.46961%0.607SS.*THydrogen-bonded Turntrans-99.6-3.5179.8630000114.4R444 Y448R444-S446 PolarHBondContact O-N 3.42Å; S446-Y448 PolarHBondContact O-N 3.15Å
447D84.4Confident82.6Confident58 Ų58126.7 Ų126.731%0.3163%0.626SS.*SBendtrans-74.3-16.5-178.6-63.4-26.8000112.2L442 R444L442-D447 HydrophobicContact CD2-CB 3.78Å; R444-D447 WeakPolarHBondContact CB-OD2 3.17Å; R444-D447 IonicContact CZ-OD1 2.71Å; R444-D447 VanDerWaalsContact CZ-OD1 3.24Å; R444-D447 PolarHBondContact N-OD2 3.1Å; R444-D447 IonicContact NE-OD1 2.71Å; R444-D447 PolarHBondContact NE-OD1 2.99Å; R444-D447 IonicContact NE-OD2 2.6Å; R444-D447 PolarHBondContact NE-OD2 2.99Å; R444-D447 IonicContact NH2-OD1 3.17Å; R444-D447 PolarHBondContact NH2-OD1 2.8Å; R444-D447 IonicContact NH2-OD2 2.83Å; R444-D447 PolarHBondContact O-N 3.28Å
448Y79.9Confident82.2Confident99 Ų99126.1 Ų126.139%0.38863%0.631SS.*  trans-142.8139.6170.9-162.8-79.6000110.3V433 L442 S446 E450V433-Y448 HydrophobicContact CB-CD1 4.34Å; V433-Y448 HydrophobicContact CB-CE1 4.47Å; V433-Y448 HydrophobicContact CG1-CD1 3.65Å; V433-Y448 HydrophobicContact CG1-CD2 4.38Å; V433-Y448 HydrophobicContact CG1-CE1 4.25Å; V433-Y448 HydrophobicContact CG1-CG 3.74Å; V433-Y448 HydrophobicContact CG2-CD1 3.65Å; V433-Y448 HydrophobicContact CG2-CD2 4.26Å; V433-Y448 HydrophobicContact CG2-CE1 3.35Å; V433-Y448 HydrophobicContact CG2-CE2 3.97Å; V433-Y448 HydrophobicContact CG2-CG 4.11Å; V433-Y448 VanDerWaalsContact CG2-CZ 3.5Å; L442-Y448 HydrophobicContact CD1-CD2 4.28Å; L442-Y448 HydrophobicContact CD1-CG 4.31Å; S446-Y448 PolarHBondContact O-N 3.15Å; Y448-E450 HydrophobicContact CD1-CG 4.1Å; Y448-E450 HydrophobicContact CE1-CG 3.7Å
449V75.6Confident81.7Confident111 Ų111127.8 Ų127.867%0.67363%0.628SS**  trans-132.7123.2176.3-178.50000108.9
450E76.8Confident81Confident128 Ų128131.9 Ų131.960%0.59864%0.644SS**  trans-82.4133.5176-72.9177.6-167.900111.3Y448Y448-E450 HydrophobicContact CD1-CG 4.1Å; Y448-E450 HydrophobicContact CE1-CG 3.7Å
451V70.3Confident80.4Confident141 Ų141126.2 Ų126.286%0.85563%0.628SS**  trans-108.186174.5-175.90000108.6
452A79.4Confident79.9Confident88 Ų88126.9 Ų126.973%0.72763%0.632SS**  trans-71.4148.9172.600000111.3A454A452-A454 PolarHBondContact O-N 2.67Å
453K78.3Confident79.6Confident210 Ų210129.9 Ų129.991%0.91364%0.644SS**  trans-71.9112.8167.8-71-179.7-179.41740108.6
454A81.6Confident79.5Confident75 Ų75127.4 Ų127.462%0.6264%0.637SS**  trans-62.6147.5169.200000110.3A452 D456A452-A454 PolarHBondContact O-N 2.67Å; A454-D456 PolarHBondContact O-N 2.78Å
455Q80.6Confident79.2Confident173 Ų173127.8 Ų127.881%0.80864%0.639SS**  trans-67.2121.4169.6-108.8162.5-17.200109.5Y457Q455-Y457 VanDerWaalsContact O-CD1 3.27Å; Q455-Y457 WeakPolarHBondContact O-CD1 3.34Å; Q455-Y457 PolarHBondContact O-N 3.22Å
456D79.5Confident79.5Confident162 Ų162122.8 Ų122.887%0.86663%0.625SS**  trans-76.373176-78.4-32.6000110.3A454A454-D456 PolarHBondContact O-N 2.78Å
457Y81.3Confident79.6Confident153 Ų153129 Ų12960%0.664%0.638SS**  trans-76.1141.5167.663.4-90.6000110.5Q455 R459Q455-Y457 VanDerWaalsContact O-CD1 3.27Å; Q455-Y457 WeakPolarHBondContact O-CD1 3.34Å; Q455-Y457 PolarHBondContact O-N 3.22Å; Y457-R459 HydrophobicContact CD2-CG 3.96Å; Y457-R459 HydrophobicContact CE2-CG 3.57Å; Y457-R459 PolarHBondContact O-N 2.91Å; Y457-R459 PolarHBondContact OH-NE 3.38Å
458D81.5Confident79.8Confident107 Ų107128.7 Ų128.757%0.57264%0.636SS**  trans-72.599.6-180-173.83.1000111.3R460 A461D458-R460 PolarHBondContact O-N 3.02Å; D458-R460 WeakPolarHBondContact OD1-CA 3.39Å; D458-R460 WeakPolarHBondContact OD1-CB 3.4Å; D458-R460 PolarHBondContact OD1-N 3.49Å; D458-A461 HydrophobicContact CB-CB 4.15Å; D458-A461 WeakPolarHBondContact O-CB 3.36Å; D458-A461 PolarHBondContact O-N 3Å
459R81.3Confident80.3Confident164 Ų164126.4 Ų126.462%0.61963%0.634SS**THydrogen-bonded Turntrans-63.6-8.5176-60.9-171.3177.61134.5114Y457Y457-R459 HydrophobicContact CD2-CG 3.96Å; Y457-R459 HydrophobicContact CE2-CG 3.57Å; Y457-R459 PolarHBondContact O-N 2.91Å; Y457-R459 PolarHBondContact OH-NE 3.38Å
460R80.2Confident81.1Confident224 Ų224125.2 Ų125.285%0.84564%0.637SS**THydrogen-bonded Turntrans-109.4-3.3-178.8-51.4-177.977.7-135.85.2113.3D458D458-R460 PolarHBondContact O-N 3.02Å; D458-R460 WeakPolarHBondContact OD1-CA 3.39Å; D458-R460 WeakPolarHBondContact OD1-CB 3.4Å; D458-R460 PolarHBondContact OD1-N 3.49Å
461A78.9Confident81.8Confident48 Ų48122.3 Ų122.340%0.39763%0.634SS.*SBendtrans-60.3162.5173.400000112D458D458-A461 HydrophobicContact CB-CB 4.15Å; D458-A461 WeakPolarHBondContact O-CB 3.36Å; D458-A461 PolarHBondContact O-N 3Å
462D78.4Confident82.8Confident120 Ų120118.9 Ų118.964%0.64261%0.611SS**  trans-61.9145.3174.3-165.511.4000110.3P464D462-P464 VanDerWaalsContact O-CD 3.28Å; D462-P464 WeakPolarHBondContact O-CD 3.41Å
463K82.3Confident83.5Confident93 Ų93119.1 Ų119.140%0.40460%0.596SS.*  trans-112.989.3-167.7-69.6165.2-169.4162.90106.2W465 T466K463-W465 HydrophobicContact CB-CD2 4.04Å; K463-W465 HydrophobicContact CB-CE3 4.41Å; K463-W465 HydrophobicContact CB-CH2 4.08Å; K463-W465 HydrophobicContact CB-CZ2 3.67Å; K463-W465 HydrophobicContact CB-CZ3 4.42Å; K463-W465 HydrophobicContact CD-CZ2 4.02Å; K463-W465 HydrophobicContact CG-CH2 3.84Å; K463-W465 HydrophobicContact CG-CZ2 3.51Å; K463-W465 PolarHBondContact O-N 2.87Å; K463-T466 WeakPolarHBondContact CB-OG1 3.48Å; K463-T466 VanDerWaalsContact O-CB 3.3Å; K463-T466 WeakPolarHBondContact O-CB 3.35Å; K463-T466 PolarHBondContact O-N 3.3Å; K463-T466 PolarHBondContact O-OG1 3.26Å
464P78.3Confident84.1Confident88 Ų88110.9 Ų110.957%0.57157%0.567SS**G310 helixtrans-57.8-30.8-169.920.5-32.7000112.6D462 T466 R467D462-P464 VanDerWaalsContact O-CD 3.28Å; D462-P464 WeakPolarHBondContact O-CD 3.41Å; P464-T466 PolarHBondContact O-N 2.78Å; P464-T466 VanDerWaalsContact O-N 3.13Å; P464-R467 PolarHBondContact O-N 3.35Å
465W77.6Confident84.6Confident174 Ų174109.9 Ų109.966%0.65956%0.559SS**G310 helixtrans-58.8-23.3173.861.685.4000114.5K463 R467 L468K463-W465 HydrophobicContact CB-CD2 4.04Å; K463-W465 HydrophobicContact CB-CE3 4.41Å; K463-W465 HydrophobicContact CB-CH2 4.08Å; K463-W465 HydrophobicContact CB-CZ2 3.67Å; K463-W465 HydrophobicContact CB-CZ3 4.42Å; K463-W465 HydrophobicContact CD-CZ2 4.02Å; K463-W465 HydrophobicContact CG-CH2 3.84Å; K463-W465 HydrophobicContact CG-CZ2 3.51Å; K463-W465 PolarHBondContact O-N 2.87Å; W465-R467 VanDerWaalsContact C-N 3.26Å; W465-R467 PolarHBondContact O-N 3.4Å; W465-L468 HydrophobicContact CB-CD1 4.08Å; W465-L468 WeakPolarHBondContact O-CD1 3.4Å; W465-L468 WeakPolarHBondContact O-CG 3.32Å
466T81.1Confident85.2Confident95 Ų95104.8 Ų104.858%0.58354%0.536SS*.G310 helixtrans-73.5-19.7176.6-25.70000112.3K463 P464K463-T466 WeakPolarHBondContact CB-OG1 3.48Å; K463-T466 VanDerWaalsContact O-CB 3.3Å; K463-T466 WeakPolarHBondContact O-CB 3.35Å; K463-T466 PolarHBondContact O-N 3.3Å; K463-T466 PolarHBondContact O-OG1 3.26Å; P464-T466 PolarHBondContact O-N 2.78Å; P464-T466 VanDerWaalsContact O-N 3.13Å
467R85.1Confident85.9Confident199 Ų199102 Ų10275%0.75151%0.513SS*.G310 helixtrans-102.12.8-178.5-63-178.565.2155.20.1113.9P464 W465 S469P464-R467 PolarHBondContact O-N 3.35Å; W465-R467 VanDerWaalsContact C-N 3.26Å; W465-R467 PolarHBondContact O-N 3.4Å; R467-S469 PolarHBondContact O-N 3.36Å
468L88.2Confident86.5Confident50 Ų50101.3 Ų101.326%0.26251%0.514SS..  trans-57.4130.2179.1-70.5167.6000111.9W465 D472 K473 I476W465-L468 HydrophobicContact CB-CD1 4.08Å; W465-L468 WeakPolarHBondContact O-CD1 3.4Å; W465-L468 WeakPolarHBondContact O-CG 3.32Å; L468-D472 HydrophobicContact CB-CB 4.26Å; L468-D472 HydrophobicContact CD2-CB 3.69Å; L468-K473 HydrophobicContact CB-CD 4.42Å; L468-K473 HydrophobicContact CB-CG 4Å; L468-K473 WeakPolarHBondContact O-CE 3.46Å; L468-K473 PolarHBondContact O-NZ 3.35Å; L468-I476 HydrophobicContact CD1-CD1 3.74Å; L468-I476 HydrophobicContact CD2-CD1 3.95Å; L468-I476 HydrophobicContact CG-CD1 4.49Å
469S90.9Very high87.1Confident51 Ų51102.5 Ų102.536%0.35752%0.516SS..  trans-66.4168.9173.9870000111.5R467 A471 D472 K473R467-S469 PolarHBondContact O-N 3.36Å; S469-A471 VanDerWaalsContact C-N 3.26Å; S469-A471 PolarHBondContact O-N 2.85Å; S469-A471 PolarHBondContact OG-N 3.21Å; S469-D472 VanDerWaalsContact CB-OD2 3.3Å; S469-D472 WeakPolarHBondContact CB-OD2 3.22Å; S469-D472 PolarHBondContact N-OD2 3.32Å; S469-D472 PolarHBondContact O-N 2.6Å; S469-D472 PolarHBondContact OG-N 3.13Å; S469-D472 PolarHBondContact OG-OD1 3.21Å; S469-D472 PolarHBondContact OG-OD2 3.02Å; S469-D472 VanDerWaalsContact OG-OD2 3.06Å; S469-K473 WeakPolarHBondContact O-CB 3.25Å; S469-K473 WeakPolarHBondContact O-CD 3.47Å; S469-K473 WeakPolarHBondContact O-CG 3.36Å; S469-K473 PolarHBondContact O-N 3Å; S469-K473 VanDerWaalsContact O-N 3.07Å
470A91.3Very high87.7Confident87 Ų8798.3 Ų98.372%0.71951%0.505SS*.Hα-helixtrans-63.8-34.6173.100000111.8A474A470-A474 PolarHBondContact O-N 3.28Å
471A91.1Very high88.4Confident67 Ų6789 Ų8955%0.55447%0.472SS*.Hα-helixtrans-67.7-46176.200000111.3S469 K473 A474 A475S469-A471 VanDerWaalsContact C-N 3.26Å; S469-A471 PolarHBondContact O-N 2.85Å; S469-A471 PolarHBondContact OG-N 3.21Å; A471-K473 VanDerWaalsContact C-N 3.29Å; A471-K473 PolarHBondContact O-N 2.71Å; A471-A474 WeakPolarHBondContact O-CB 3.35Å; A471-A474 PolarHBondContact O-N 2.83Å; A471-A475 PolarHBondContact O-N 2.96Å
472D92.9Very high89Confident69 Ų6991.9 Ų91.937%0.36948%0.478SS..Hα-helixtrans-62.2-41.3178.8-40.7-23.3000110.3L468 S469 A474 A475 I476L468-D472 HydrophobicContact CB-CB 4.26Å; L468-D472 HydrophobicContact CD2-CB 3.69Å; S469-D472 VanDerWaalsContact CB-OD2 3.3Å; S469-D472 WeakPolarHBondContact CB-OD2 3.22Å; S469-D472 PolarHBondContact N-OD2 3.32Å; S469-D472 PolarHBondContact O-N 2.6Å; S469-D472 PolarHBondContact OG-N 3.13Å; S469-D472 PolarHBondContact OG-OD1 3.21Å; S469-D472 PolarHBondContact OG-OD2 3.02Å; S469-D472 VanDerWaalsContact OG-OD2 3.06Å; D472-A474 VanDerWaalsContact C-N 3.31Å; D472-A474 PolarHBondContact O-N 3.27Å; D472-A475 PolarHBondContact O-N 3.31Å; D472-I476 WeakPolarHBondContact O-CB 3.49Å; D472-I476 WeakPolarHBondContact O-CD1 3.38Å; D472-I476 WeakPolarHBondContact O-CG1 3.24Å; D472-I476 PolarHBondContact O-N 3.36Å
473K92.4Very high89.7Confident93 Ų9390.7 Ų90.740%0.40447%0.467SS..Hα-helixtrans-62.8-35.3174.8-76164.2176.8145.10112.5L468 S469 A471 R477L468-K473 HydrophobicContact CB-CD 4.42Å; L468-K473 HydrophobicContact CB-CG 4Å; L468-K473 WeakPolarHBondContact O-CE 3.46Å; L468-K473 PolarHBondContact O-NZ 3.35Å; S469-K473 WeakPolarHBondContact O-CB 3.25Å; S469-K473 WeakPolarHBondContact O-CD 3.47Å; S469-K473 WeakPolarHBondContact O-CG 3.36Å; S469-K473 PolarHBondContact O-N 3Å; S469-K473 VanDerWaalsContact O-N 3.07Å; A471-K473 VanDerWaalsContact C-N 3.29Å; A471-K473 PolarHBondContact O-N 2.71Å; K473-R477 WeakPolarHBondContact O-CG 3.19Å; K473-R477 PolarHBondContact O-N 2.82Å
474A91.5Very high90.2Very high36 Ų3688.4 Ų88.430%0.29846%0.457SS..Hα-helixtrans-73.6-41.917500000111.7A470 A471 D472 R477 K478A470-A474 PolarHBondContact O-N 3.28Å; A471-A474 WeakPolarHBondContact O-CB 3.35Å; A471-A474 PolarHBondContact O-N 2.83Å; D472-A474 VanDerWaalsContact C-N 3.31Å; D472-A474 PolarHBondContact O-N 3.27Å; A474-R477 WeakPolarHBondContact O-CB 3.29Å; A474-R477 PolarHBondContact O-N 3.48Å; A474-K478 PolarHBondContact O-N 2.68Å
475A92.9Very high90.6Very high55 Ų5586.6 Ų86.646%0.45545%0.447SS..Hα-helixtrans-58.9-49.8174.900000111.5A471 D472 R477 K478 E479A471-A475 PolarHBondContact O-N 2.96Å; D472-A475 PolarHBondContact O-N 3.31Å; A475-R477 VanDerWaalsContact C-N 3.31Å; A475-R477 PolarHBondContact O-N 3.4Å; A475-K478 WeakPolarHBondContact O-CB 3.48Å; A475-K478 PolarHBondContact O-N 3.28Å; A475-K478 VanDerWaalsContact O-N 3.07Å; A475-E479 WeakPolarHBondContact O-CB 3.36Å; A475-E479 PolarHBondContact O-N 2.86Å
476I92.1Very high91Very high65 Ų6585.2 Ų85.233%0.33345%0.452SS..Hα-helixtrans-59.8-38.7176.2-68.1162.5000111.4L468 D472 L480L468-I476 HydrophobicContact CD1-CD1 3.74Å; L468-I476 HydrophobicContact CD2-CD1 3.95Å; L468-I476 HydrophobicContact CG-CD1 4.49Å; D472-I476 WeakPolarHBondContact O-CB 3.49Å; D472-I476 WeakPolarHBondContact O-CD1 3.38Å; D472-I476 WeakPolarHBondContact O-CG1 3.24Å; D472-I476 PolarHBondContact O-N 3.36Å; I476-L480 HydrophobicContact CG2-CD1 3.85Å; I476-L480 HydrophobicContact CG2-CG 4.31Å; I476-L480 VanDerWaalsContact O-CB 3.27Å; I476-L480 WeakPolarHBondContact O-CB 3.17Å; I476-L480 WeakPolarHBondContact O-CG 3.33Å; I476-L480 PolarHBondContact O-N 3.42Å
477R94Very high91.3Very high103 Ų10387.5 Ų87.539%0.38946%0.456SS..Hα-helixtrans-65.4-39.7174.6-73.9171-163.5173.84.5112.4K473 A474 A475 N481 H501 R502K473-R477 WeakPolarHBondContact O-CG 3.19Å; K473-R477 PolarHBondContact O-N 2.82Å; A474-R477 WeakPolarHBondContact O-CB 3.29Å; A474-R477 PolarHBondContact O-N 3.48Å; A475-R477 VanDerWaalsContact C-N 3.31Å; A475-R477 PolarHBondContact O-N 3.4Å; R477-N481 WeakPolarHBondContact O-CB 3.46Å; R477-N481 PolarHBondContact O-N 3.39Å; R477-N481 PolarHBondContact O-ND2 3.22Å; R477-H501 HydrophobicContact CB-CB 3.9Å; R477-H501 HydrophobicContact CG-CB 3.88Å; R477-R502 WeakPolarHBondContact CD-O 3.5Å
478K94.1Very high91.4Very high140 Ų14081.5 Ų81.561%0.60944%0.438SS*.Hα-helixtrans-64-51.7176.7-173.4-166.3169.7-162.10110A474 A475 L480 N481 E482A474-K478 PolarHBondContact O-N 2.68Å; A475-K478 WeakPolarHBondContact O-CB 3.48Å; A475-K478 PolarHBondContact O-N 3.28Å; A475-K478 VanDerWaalsContact O-N 3.07Å; K478-L480 PolarHBondContact O-N 3.03Å; K478-N481 WeakPolarHBondContact O-CA 3.28Å; K478-N481 WeakPolarHBondContact O-CB 3.32Å; K478-N481 PolarHBondContact O-N 3.38Å; K478-E482 WeakPolarHBondContact O-CB 3.49Å; K478-E482 PolarHBondContact O-N 2.85Å
479E94.7Very high91.3Very high131 Ų13188.5 Ų88.561%0.61247%0.469SS*.Hα-helixtrans-56.8-46.9177.3-173.8-177.5-179.400111.8A475 N481 E482 F483A475-E479 WeakPolarHBondContact O-CB 3.36Å; A475-E479 PolarHBondContact O-N 2.86Å; E479-N481 VanDerWaalsContact C-N 3.29Å; E479-N481 PolarHBondContact O-N 3.08Å; E479-E482 PolarHBondContact O-N 3.33Å; E479-F483 WeakPolarHBondContact O-CB 3.46Å; E479-F483 PolarHBondContact O-N 3.41Å
480L94.3Very high91.1Very high76 Ų7688.5 Ų88.540%0.39847%0.466SS..Hα-helixtrans-63.1-32.4174.9-74.4172.1000113.4I476 K478 K484I476-L480 HydrophobicContact CG2-CD1 3.85Å; I476-L480 HydrophobicContact CG2-CG 4.31Å; I476-L480 VanDerWaalsContact O-CB 3.27Å; I476-L480 WeakPolarHBondContact O-CB 3.17Å; I476-L480 WeakPolarHBondContact O-CG 3.33Å; I476-L480 PolarHBondContact O-N 3.42Å; K478-L480 PolarHBondContact O-N 3.03Å; L480-K484 WeakPolarHBondContact O-CB 3.07Å; L480-K484 WeakPolarHBondContact O-CD 3.44Å; L480-K484 WeakPolarHBondContact O-CG 3.29Å; L480-K484 PolarHBondContact O-N 3.02Å; L480-K484 VanDerWaalsContact O-N 3.17Å
481N93.6Very high90.9Very high29 Ų2991.6 Ų91.616%0.15547%0.466CS..Hα-helixtrans-73.3-40.7174.3-77-11.3000111.6R477 K478 E479 K484 S485 F500 H501R477-N481 WeakPolarHBondContact O-CB 3.46Å; R477-N481 PolarHBondContact O-N 3.39Å; R477-N481 PolarHBondContact O-ND2 3.22Å; K478-N481 WeakPolarHBondContact O-CA 3.28Å; K478-N481 WeakPolarHBondContact O-CB 3.32Å; K478-N481 PolarHBondContact O-N 3.38Å; E479-N481 VanDerWaalsContact C-N 3.29Å; E479-N481 PolarHBondContact O-N 3.08Å; N481-K484 PolarHBondContact O-N 3.35Å; N481-S485 WeakPolarHBondContact O-CB 3.22Å; N481-S485 PolarHBondContact O-N 2.92Å; N481-S485 PolarHBondContact O-OG 3.48Å; N481-F500 HydrophobicContact CB-CD1 3.92Å; N481-F500 WeakPolarHBondContact O-CE1 3.49Å; N481-F500 WeakPolarHBondContact OD1-CA 3.34Å; N481-H501 PolarHBondContact ND2-O 3.3Å; N481-H501 PolarHBondContact OD1-CD2 2.91Å; N481-H501 PolarHBondContact OD1-N 3.03Å
482E93.3Very high90.7Very high109 Ų10993.9 Ų93.951%0.50948%0.478SS..Hα-helixtrans-61.2-51.9177.8-164153-175.400109.7K478 E479 K484 S485 N486K478-E482 WeakPolarHBondContact O-CB 3.49Å; K478-E482 PolarHBondContact O-N 2.85Å; E479-E482 PolarHBondContact O-N 3.33Å; E482-K484 PolarHBondContact O-N 3.19Å; E482-S485 PolarHBondContact O-N 3.3Å; E482-S485 PolarHBondContact O-OG 2.78Å; E482-N486 VanDerWaalsContact O-CB 3.3Å; E482-N486 WeakPolarHBondContact O-CB 3.39Å; E482-N486 PolarHBondContact O-N 3.44Å
483F92.7Very high90.5Very high94 Ų9494.7 Ų94.741%0.41249%0.489SS..Hα-helixtrans-51.9-51.7171.5-175-88.9000112.4E479 S485 N486 E487 M488E479-F483 WeakPolarHBondContact O-CB 3.46Å; E479-F483 PolarHBondContact O-N 3.41Å; F483-S485 PolarHBondContact O-N 3.49Å; F483-N486 PolarHBondContact O-N 3.14Å; F483-E487 HydrophobicContact CD2-CB 3.82Å; F483-E487 HydrophobicContact CD2-CG 4.01Å; F483-E487 VanDerWaalsContact CD2-OE2 3.22Å; F483-E487 WeakPolarHBondContact CD2-OE2 3.34Å; F483-E487 HydrophobicContact CE2-CB 4Å; F483-E487 HydrophobicContact CE2-CG 3.73Å; F483-E487 WeakPolarHBondContact CE2-OE2 3.37Å; F483-E487 HydrophobicContact CG-CB 4.34Å; F483-E487 HydrophobicContact CZ-CG 4.43Å; F483-E487 PolarHBondContact O-N 3.48Å; F483-M488 HydrophobicContact CD1-CB 4.16Å; F483-M488 HydrophobicContact CE1-CB 3.96Å; F483-M488 HydrophobicContact CE1-CG 4.46Å; F483-M488 PolarHBondContact O-N 2.85Å
484K91.7Very high90.4Very high45 Ų4592.6 Ų92.620%0.19649%0.486CS..Hα-helixtrans-61.6-24.1178-78.3170.4-179.7177.90114.5L480 N481 E482 M488 T498 R499 F500 H501L480-K484 WeakPolarHBondContact O-CB 3.07Å; L480-K484 WeakPolarHBondContact O-CD 3.44Å; L480-K484 WeakPolarHBondContact O-CG 3.29Å; L480-K484 PolarHBondContact O-N 3.02Å; L480-K484 VanDerWaalsContact O-N 3.17Å; N481-K484 PolarHBondContact O-N 3.35Å; E482-K484 PolarHBondContact O-N 3.19Å; K484-M488 HydrophobicContact CB-CE 4.12Å; K484-M488 HydrophobicContact CG-CE 3.91Å; K484-M488 HydrophobicContact CG-SD 4.4Å; K484-T498 HydrophobicContact CB-CG2 4.06Å; K484-T498 HydrophobicContact CD-CG2 4.45Å; K484-T498 HydrophobicContact CG-CG2 4.44Å; K484-R499 PolarHBondContact NZ-O 3.31Å; K484-F500 HydrophobicContact CB-CD1 4.28Å; K484-F500 HydrophobicContact CB-CE1 3.75Å; K484-H501 PolarHBondContact NZ-CD2 2.79Å; K484-H501 PolarHBondContact NZ-NE2 3.4Å
485S86.7Confident90.2Very high51 Ų5196.1 Ų96.136%0.35749%0.494SS..Hα-helixtrans-93-30-176.869.90000113.4N481 E482 F483 K495N481-S485 WeakPolarHBondContact O-CB 3.22Å; N481-S485 PolarHBondContact O-N 2.92Å; N481-S485 PolarHBondContact O-OG 3.48Å; E482-S485 PolarHBondContact O-N 3.3Å; E482-S485 PolarHBondContact O-OG 2.78Å; F483-S485 PolarHBondContact O-N 3.49Å; S485-K495 PolarHBondContact O-NZ 3.29Å
486N86.1Confident90Very high144 Ų144100.7 Ų100.777%0.7751%0.506SS*.Hα-helixtrans-127-33.1-160.5-147.572.9000114.4E482 F483E482-N486 VanDerWaalsContact O-CB 3.3Å; E482-N486 WeakPolarHBondContact O-CB 3.39Å; E482-N486 PolarHBondContact O-N 3.44Å; F483-N486 PolarHBondContact O-N 3.14Å
487E88.6Confident89.9Confident144 Ų144103.3 Ų103.367%0.67352%0.52SS*.THydrogen-bonded Turntrans-109.9-33.4-176.6-169.9174.5166.400112.8F483 E489F483-E487 HydrophobicContact CD2-CB 3.82Å; F483-E487 HydrophobicContact CD2-CG 4.01Å; F483-E487 VanDerWaalsContact CD2-OE2 3.22Å; F483-E487 WeakPolarHBondContact CD2-OE2 3.34Å; F483-E487 HydrophobicContact CE2-CB 4Å; F483-E487 HydrophobicContact CE2-CG 3.73Å; F483-E487 WeakPolarHBondContact CE2-OE2 3.37Å; F483-E487 HydrophobicContact CG-CB 4.34Å; F483-E487 HydrophobicContact CZ-CG 4.43Å; F483-E487 PolarHBondContact O-N 3.48Å; E487-E489 PolarHBondContact O-N 3.27Å
488M85.9Confident89.7Confident73 Ų7399.6 Ų99.636%0.3651%0.509SS..SBendtrans-75.5104175.7-169175.673.600110.6F483 K484 V490 T498F483-M488 HydrophobicContact CD1-CB 4.16Å; F483-M488 HydrophobicContact CE1-CB 3.96Å; F483-M488 HydrophobicContact CE1-CG 4.46Å; F483-M488 PolarHBondContact O-N 2.85Å; K484-M488 HydrophobicContact CB-CE 4.12Å; K484-M488 HydrophobicContact CG-CE 3.91Å; K484-M488 HydrophobicContact CG-SD 4.4Å; M488-V490 HydrophobicContact CE-CG2 3.76Å; M488-V490 HydrophobicContact CG-CG2 4.2Å; M488-V490 PolarHBondContact O-N 3.07Å; M488-T498 HydrophobicContact CE-CG2 3.98Å
489E85.9Confident89.6Confident196 Ų196103.3 Ų103.392%0.91652%0.519SS*.  trans-67.9120.3176.3-168.2171.4-162.600111.1E487E487-E489 PolarHBondContact O-N 3.27Å
490V87Confident89.5Confident51 Ų51102 Ų10231%0.30951%0.512SS..  trans-133.7133.7179-176.70000108.4M488 S492M488-V490 HydrophobicContact CE-CG2 3.76Å; M488-V490 HydrophobicContact CG-CG2 4.2Å; M488-V490 PolarHBondContact O-N 3.07Å; V490-S492 PolarHBondContact O-N 2.65Å
491H86.8Confident89.4Confident153 Ų153102 Ų10271%0.70851%0.509SS*.  trans-52.4137.7176-68-54.4000112S493 S494 K495H491-S493 VanDerWaalsContact C-N 3.28Å; H491-S493 PolarHBondContact O-N 3.23Å; H491-S494 PolarHBondContact O-N 3.43Å; H491-K495 PolarHBondContact O-N 3.38Å; H491-K495 VanDerWaalsContact O-N 3.13Å
492S87.8Confident89.1Confident114 Ų114110.9 Ų110.980%0.79754%0.541SS*.THydrogen-bonded Turntrans-53.8-40.7-172.252.10000113.7V490 S494V490-S492 PolarHBondContact O-N 2.65Å; S492-S494 VanDerWaalsContact C-N 3.33Å; S492-S494 PolarHBondContact O-N 2.88Å
493S88.8Confident88Confident87 Ų87112.9 Ų112.961%0.60856%0.563SS**THydrogen-bonded Turntrans-64.8-32.1176.453.90000113.4H491 H496H491-S493 VanDerWaalsContact C-N 3.28Å; H491-S493 PolarHBondContact O-N 3.23Å; S493-H496 PolarHBondContact O-CE1 2.88Å; S493-H496 PolarHBondContact O-ND1 3.39Å
494S90.2Very high87.8Confident48 Ų48113.9 Ų113.934%0.33657%0.571SS.*THydrogen-bonded Turntrans-92.8-10.4-177.5-56.20000114.2H491 S492 H496 L497H491-S494 PolarHBondContact O-N 3.43Å; S492-S494 VanDerWaalsContact C-N 3.33Å; S492-S494 PolarHBondContact O-N 2.88Å; S494-H496 PolarHBondContact O-N 2.97Å; S494-L497 WeakPolarHBondContact O-CB 3.48Å; S494-L497 PolarHBondContact O-N 2.68Å
495K87.5Confident87.6Confident111 Ų111117.5 Ų117.548%0.48359%0.591SS.*G310 helixtrans-56.1-27.9-174.5-168.2164.9-173.7164.10113.8S485 H491 L497 T498S485-K495 PolarHBondContact O-NZ 3.29Å; H491-K495 PolarHBondContact O-N 3.38Å; H491-K495 VanDerWaalsContact O-N 3.13Å; K495-L497 VanDerWaalsContact C-N 3.26Å; K495-L497 PolarHBondContact O-N 3.34Å; K495-T498 WeakPolarHBondContact O-CB 3.26Å; K495-T498 PolarHBondContact O-N 3.18Å; K495-T498 PolarHBondContact O-OG1 2.96Å
496H87.6Confident87.6Confident151 Ų151121.2 Ų121.270%0.69960%0.604SS**G310 helixtrans-69.2-17.3176.774-87.2000114.6S493 S494 T498S493-H496 PolarHBondContact O-CE1 2.88Å; S493-H496 PolarHBondContact O-ND1 3.39Å; S494-H496 PolarHBondContact O-N 2.97Å; H496-T498 VanDerWaalsContact C-N 3.33Å
497L91.3Very high87.7Confident120 Ų120119.8 Ų119.863%0.62859%0.594SS**G310 helixtrans-83.7-9177-60.7170.3000112.7S494 K495 R499S494-L497 WeakPolarHBondContact O-CB 3.48Å; S494-L497 PolarHBondContact O-N 2.68Å; K495-L497 VanDerWaalsContact C-N 3.26Å; K495-L497 PolarHBondContact O-N 3.34Å; L497-R499 PolarHBondContact O-N 3.06Å
498T89.7Confident87.6Confident25 Ų25118.3 Ų118.315%0.15359%0.589CS.*  trans-68.1114.1-177.9-57.20000111K484 M488 K495 H496 F500K484-T498 HydrophobicContact CB-CG2 4.06Å; K484-T498 HydrophobicContact CD-CG2 4.45Å; K484-T498 HydrophobicContact CG-CG2 4.44Å; M488-T498 HydrophobicContact CE-CG2 3.98Å; K495-T498 WeakPolarHBondContact O-CB 3.26Å; K495-T498 PolarHBondContact O-N 3.18Å; K495-T498 PolarHBondContact O-OG1 2.96Å; H496-T498 VanDerWaalsContact C-N 3.33Å; T498-F500 HydrophobicContact CG2-CE1 4.24Å; T498-F500 HydrophobicContact CG2-CE2 4.02Å; T498-F500 HydrophobicContact CG2-CZ 3.78Å; T498-F500 WeakPolarHBondContact O-CD2 3.45Å; T498-F500 WeakPolarHBondContact O-CE2 3.45Å; T498-F500 PolarHBondContact O-N 2.87Å
499R92.5Very high87.8Confident217 Ų217121.3 Ų121.382%0.81960%0.604SS**  trans-85.4109.7-179.8-67.7-176.665.3162.80.4112K484 L497K484-R499 PolarHBondContact NZ-O 3.31Å; L497-R499 PolarHBondContact O-N 3.06Å
500F91.8Very high87.9Confident104 Ų104116 Ų11646%0.45658%0.582SS.*PPolyproline II helixtrans-81.8148.6172-62.4-78.5000112N481 K484 T498N481-F500 HydrophobicContact CB-CD1 3.92Å; N481-F500 WeakPolarHBondContact O-CE1 3.49Å; N481-F500 WeakPolarHBondContact OD1-CA 3.34Å; K484-F500 HydrophobicContact CB-CD1 4.28Å; K484-F500 HydrophobicContact CB-CE1 3.75Å; T498-F500 HydrophobicContact CG2-CE1 4.24Å; T498-F500 HydrophobicContact CG2-CE2 4.02Å; T498-F500 HydrophobicContact CG2-CZ 3.78Å; T498-F500 WeakPolarHBondContact O-CD2 3.45Å; T498-F500 WeakPolarHBondContact O-CE2 3.45Å; T498-F500 PolarHBondContact O-N 2.87Å
501H92Very high88Confident75 Ų75121 Ų12135%0.34760%0.603SS.*PPolyproline II helixtrans-73149.8169-59.6-81.2000109.6R477 N481 K484R477-H501 HydrophobicContact CB-CB 3.9Å; R477-H501 HydrophobicContact CG-CB 3.88Å; N481-H501 PolarHBondContact ND2-O 3.3Å; N481-H501 PolarHBondContact OD1-CD2 2.91Å; N481-H501 PolarHBondContact OD1-N 3.03Å; K484-H501 PolarHBondContact NZ-CD2 2.79Å; K484-H501 PolarHBondContact NZ-NE2 3.4Å
502R87.2Confident88.1Confident216 Ų216118.3 Ų118.382%0.81559%0.594SS**PPolyproline II helixtrans-70.5141.7171.5-66.6-174.9177.2-166.3-2.2109.6R477R477-R502 WeakPolarHBondContact CD-O 3.5Å
503P70.5Confident88.1Confident152 Ų152118.7 Ų118.799%0.98758%0.576SS**  trans-47.50168.1-26.235.3000111.8

Retrieved 503 of 503 residues in 120.3 ms (Link to these results)