A0A3Q0KK87_SCHMA Loading...

SmHox8

AlphaFold DB , UniProt , Accession A0A3Q0KK87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 738 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low37.7Very low218 Ų218154.7 Ų154.7100%1.07485%0.848SS**  098.90-50.5-36.1-169.600107.7
2D40.6Very low37.7Very low144 Ų144154.7 Ų154.777%0.7785%0.846SS**  trans47.5101131.4-32.4-47.6000116.1
3N33.6Very low37.6Very low145 Ų145155.7 Ų155.778%0.77585%0.85SS**  cis6482.213.7-165.117.1000115.3
4R38.8Very low37.6Very low210 Ų210155.8 Ų155.879%0.79285%0.848SS**  179.1138.2127.7-101.3175.6178.8-139.6-2.9116.3
5L42.9Very low37.6Very low160 Ų160158.1 Ų158.184%0.83885%0.847SS**  trans65.1134.8145.3-59167.2000120
6G37.7Very low37.6Very low80 Ų80156.5 Ų156.583%0.82585%0.848SS**  trans16924.3175.500000117.3N8G6-N8 PolarHBondContact O-N 3.16Å
7L36.8Very low37.6Very low167 Ų167160.9 Ų160.987%0.87485%0.85SS**  trans-72125.3174.5-71.9168.3000110.6
8N36.9Very low37.6Very low157 Ų157158.2 Ų158.284%0.8485%0.846SS**  trans178.5168.7139.1-94.3-30.7000113.9G6G6-N8 PolarHBondContact O-N 3.16Å
9S34.4Very low37.5Very low117 Ų117158.8 Ų158.882%0.81885%0.848SS**  trans52.176.1163.260.70000118.4
10A37.8Very low37.4Very low101 Ų101156.7 Ų156.784%0.83585%0.846SS**  trans-118.853.8153.700000109.9
11F35.6Very low37.3Very low203 Ų203154 Ų15489%0.8984%0.84SS**  trans-147.738.5-169.6-114.5-70.1000114.5
12D37.3Very low37.2Very low154 Ų154149.3 Ų149.382%0.82483%0.827SS**  trans-147.8102169.8-103.6-45.4000109.9
13N37.2Very low37Very low168 Ų168149.9 Ų149.990%0.89883%0.828SS**  trans-169.832.3168.3-106.7-33.8000114.7
14L37.4Very low37.4Very low157 Ų157149 Ų14982%0.82283%0.828SS**SBendtrans-137.531.7178.5-89.8-176.6000115.4
15F38Very low37.1Very low190 Ų190145.3 Ų145.383%0.83382%0.824SS**  trans-140.3127162.4-86.7-79000111.3R17F15-R17 PolarHBondContact O-N 3.26Å
16P37.3Very low36.7Very low133 Ų133143.9 Ų143.986%0.86483%0.825SS**  trans-72.294.3167.830.3-32.2000108.9
17R38.4Very low36.9Very low232 Ų232145 Ų14588%0.87582%0.82SS**  trans-75.7136.1165.8-76.4-170.8172.7-141.71.7109.3F15F15-R17 PolarHBondContact O-N 3.26Å
18S37.4Very low37Very low111 Ų111143 Ų14378%0.77681%0.806SS**  trans-57.5135.5173.150.30000111.7S20S18-S20 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact O-N 3.16Å
19L35.8Very low37.2Very low171 Ų171141.6 Ų141.690%0.89580%0.803SS**SBendtrans-66.2109.2166.5-74.3167.4000109.8
20S34.4Very low37.3Very low115 Ų115143.5 Ų143.580%0.80480%0.803SS**  trans-164.593.1162.5-101.50000108S18S18-S20 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact O-N 3.16Å
21S35.1Very low37.5Very low101 Ų101142.1 Ų142.171%0.70679%0.785SS**  trans-139.868.4-172.262.10000113.3
22C37.3Very low37.6Very low120 Ų120140.4 Ų140.481%0.81178%0.777SS**  trans-150.483.7157.551.50000106.7
23I37.3Very low37.6Very low155 Ų155144.5 Ų144.580%0.79578%0.781SS**  52.791.579.9-52.3177.1000111.9
24T40.9Very low37.6Very low127 Ų127140.4 Ų140.478%0.77977%0.766SS**  trans-158.813213327.10000110.6
25N34Very low37.6Very low132 Ų132138.1 Ų138.171%0.70675%0.751SS**  trans43.5107.3153.9-60.2-8.5000120.9S27N25-S27 PolarHBondContact O-N 2.72Å; N25-S27 VanDerWaalsContact O-N 3.09Å
26P34.2Very low37.6Very low131 Ų131141 Ų14185%0.85176%0.756SS**SBendtrans-80.282.1164.834.2-33000111.3
27S40.8Very low37.7Very low102 Ų102142.4 Ų142.471%0.71376%0.757SS**  trans-140.520.1175.4690000114.3N25N25-S27 PolarHBondContact O-N 2.72Å; N25-S27 VanDerWaalsContact O-N 3.09Å
28H40.2Very low37.7Very low127 Ų127135.4 Ų135.459%0.58874%0.743SS**  trans-147.548-175-158.5-86000112.6
29V39.8Very low37.7Very low127 Ų127137.8 Ų137.877%0.7775%0.747SS**  trans-12537.5-173.6-157.80000112.6
30D36.3Very low37.7Very low156 Ų156137.1 Ų137.183%0.83475%0.745SS**SBendtrans-126.5-15.7171.1-83.7-60000114.1
31T43.6Very low37.8Very low72 Ų72138.5 Ų138.544%0.44274%0.743SS.*SBendtrans-79.6-41.8-176-38.50000113.6R33 S34T31-R33 PolarHBondContact O-N 2.92Å; T31-S34 PolarHBondContact O-N 2.96Å
32F36.6Very low37.7Very low168 Ų168141 Ų14174%0.73775%0.748SS**THydrogen-bonded Turntrans-76.315.4-166.8-91.8-74.4000116.3
33R37.9Very low37.5Very low240 Ų240143.4 Ų143.491%0.90675%0.753SS**THydrogen-bonded Turntrans-113.12.1177.5-150.8171.2-177.3178.70.3114.6T31T31-R33 PolarHBondContact O-N 2.92Å
34S37.1Very low37.3Very low82 Ų82143 Ų14357%0.57375%0.753SS**THydrogen-bonded Turntrans-104.3-32.5-180-58.60000113.4T31 W36T31-S34 PolarHBondContact O-N 2.96Å; S34-W36 PolarHBondContact O-N 2.76Å
35E37.5Very low36.9Very low108 Ų108142.3 Ų142.351%0.50575%0.753SS.*G310 helixtrans-73.7-32-167.7-62.7175.6134.700113.7N37 S38E35-N37 PolarHBondContact O-N 3.29Å; E35-S38 PolarHBondContact O-N 2.91Å; E35-S38 VanDerWaalsContact O-N 3.08Å
36W37.5Very low36.8Very low252 Ų252143.7 Ų143.796%0.95576%0.76SS**G310 helixtrans-71.10.2-178.2-133.266000114.8S34S34-W36 PolarHBondContact O-N 2.76Å
37N39Very low36.8Very low162 Ų162144.6 Ų144.687%0.86676%0.764SS**G310 helixtrans-117.73.1172.3-101.2-25.6000113.5E35E35-N37 PolarHBondContact O-N 3.29Å
38S38.6Very low36.3Very low85 Ų85145 Ų14559%0.59477%0.767SS**THydrogen-bonded Turntrans-103.9-17.1178-63.20000113.7E35 N40E35-S38 PolarHBondContact O-N 2.91Å; E35-S38 VanDerWaalsContact O-N 3.08Å; S38-N40 PolarHBondContact O-N 2.71Å; S38-N40 VanDerWaalsContact O-N 3.12Å
39N37.6Very low36.2Very low161 Ų161145 Ų14586%0.86178%0.776SS**THydrogen-bonded Turntrans-81.816.3-170.8-117.821.2000115.8
40N36.3Very low36.1Very low157 Ų157146.6 Ų146.684%0.8478%0.775SS**THydrogen-bonded Turntrans-124.419.4179.3-132.72.3000113.4S38S38-N40 PolarHBondContact O-N 2.71Å; S38-N40 VanDerWaalsContact O-N 3.12Å
41N35.8Very low36Very low143 Ų143146.1 Ų146.177%0.76577%0.772SS**SBendtrans-152.380.7172.3-90.6-57.8000110.1
42N33.2Very low35.8Very low155 Ų155147.6 Ų147.683%0.82979%0.792SS**  trans-175.258.7156.1-97.4-22.1000113.4N44N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.44Å
43N33Very low35.9Very low170 Ų170148.5 Ų148.591%0.90980%0.798SS**  trans-92.866.8161.8-98.1-17.1000110.3
44N33.5Very low36Very low147 Ų147141.7 Ų141.779%0.78679%0.785SS**  trans-165.9162.2161.4-115.4-45.4000112.9N42N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.44Å
45S32.3Very low36Very low112 Ų112144.3 Ų144.378%0.78379%0.793SS**  trans5985.6175.857.70000117.4
46N31.8Very low36Very low160 Ų160144.8 Ų144.886%0.85680%0.799SS**  trans-119.3108.4152-116.2-24.5000109
47T35.5Very low36.1Very low151 Ų151138.4 Ų138.493%0.92678%0.783SS**  trans169.1141.7135.631.70000109.5
48S30.3Very low35.9Very low111 Ų111138.3 Ų138.378%0.77678%0.783SS**  trans-126.2136.7-172.8174.20000111
49T37.4Very low36Very low127 Ų127137.5 Ų137.578%0.77979%0.788SS**  trans-156.5109.3151.429.10000112.9
50Q38Very low35.9Very low160 Ų160137.2 Ų137.275%0.74879%0.787SS**  64.3124128.3-66.3-168.621.500123.4
51N34.5Very low36Very low145 Ų145134.4 Ų134.478%0.77578%0.779SS**  trans90.1151.1132.7-63.3-15.7000122.5
52A38.4Very low36.1Very low104 Ų104134.6 Ų134.686%0.8678%0.779SS**  trans80.2118.2167.700000119.6
53Q38.9Very low36.4Very low187 Ų187134.1 Ų134.187%0.87477%0.772SS**  trans-89.3-174.2167.8-64.4-172.3-72.500111
54P40.8Very low36.6Very low97 Ų97132.4 Ų132.463%0.6376%0.762SS**  -137-164.4-57.540-23.1000112.8
55N35.6Very low36.8Very low136 Ų136130.4 Ų130.473%0.72776%0.755SS**  trans87.3142.9144.4-92.51.9000122.8
56N37.9Very low37Very low118 Ų118132.3 Ų132.363%0.63176%0.757SS**  trans82107144.2-70.4-1.2000122.4
57N39.2Very low37.1Very low118 Ų118131.7 Ų131.763%0.63175%0.754SS**  89.5116.6116.2-65.3-8.6000122.4
58N35.5Very low37.3Very low160 Ų160129.7 Ų129.786%0.85674%0.743SS**  74.9141.6129.6-57.1-13.5000120.8
59G40.5Very low37.5Very low69 Ų69131.3 Ų131.371%0.71174%0.739SS**  trans134.170.2177.700000112.2
60N35.5Very low37.5Very low155 Ų155132.1 Ų132.183%0.82974%0.737SS**  41112.290.5-75.5-9.1000115.2
61S38Very low37.3Very low98 Ų98131.9 Ų131.969%0.68574%0.736SS**  162.8136104.7-85.30000115.3
62L38.2Very low37.4Very low146 Ų146130.1 Ų130.176%0.76474%0.735SS**  trans66.6141.6136.3-61.4174.5000118.9
63Q39.2Very low37Very low146 Ų146132.9 Ų132.968%0.68274%0.735SS**  cis-169175-10.3-144.6-179.723.600110.9
64L37.4Very low37.1Very low134 Ų134130.5 Ų130.570%0.70273%0.734SS**  trans69.4138.8153.4-64.4165.2000118.9
65T37.3Very low36.7Very low104 Ų104133.3 Ų133.364%0.63874%0.738SS**  cis-167.9170.3-27.82.80000111.8
66N37.6Very low36.8Very low152 Ų152135.1 Ų135.181%0.81375%0.747SS**  trans80.1100.8153.1-62.5-12.4000120.2
67N32.7Very low36.4Very low147 Ų147135.6 Ų135.679%0.78675%0.75SS**  trans-91166150.6-154.6-13.6000108.1
68P40.7Very low36.1Very low109 Ų109137.9 Ų137.971%0.70876%0.761SS**  -155.6157.595.439.2-20.9000118
69Q34.6Very low35.9Very low146 Ų146141.3 Ų141.368%0.68276%0.762SS**  trans32142.8138.9-55.9-16513.100120.9
70L37.5Very low35.7Very low144 Ų144146.6 Ų146.675%0.75477%0.768SS**  -163.5161.267.5-81.5158000114.2
71H33.1Very low35.6Very low154 Ų154145 Ų14571%0.71377%0.766SS**  trans-32.9163.2163.1-4487000116.5
72S37.6Very low35.2Very low109 Ų109145.3 Ų145.376%0.76277%0.768SS**  cis-157.817033.257.70000115.7
73N29.4Very low35Very low162 Ų162145.6 Ų145.687%0.86677%0.77SS**  trans-84.6145170.9-62.5-60.3000112
74T41.1Very low34.4Very low136 Ų136143 Ų14383%0.83477%0.768SS**  trans-143.9121150.8-33.90000110.7
75Q31.7Very low34.2Very low156 Ų156142.6 Ų142.673%0.72977%0.771SS**  trans-79.5149.2163-61.2-178.411.700109.5
76L37.8Very low33.7Very low175 Ų175142.6 Ų142.692%0.91677%0.774SS**  trans-141.2130.3136.2-83.9-172.7000110.9
77N29Very low33.6Very low128 Ų128142.2 Ų142.268%0.68477%0.772SS**  trans-78.8145.9166.3-84.4-92.9000109.9
78L34.8Very low33.6Very low166 Ų166140.7 Ų140.787%0.86976%0.764SS**  trans-16896.3141.1-125.166000107
79R31.2Very low33.2Very low231 Ų231142.4 Ų142.487%0.87276%0.763SS**  75.6115.572-165.3-179.5-166.2-140.24.2112.4
80Q35.3Very low33.3Very low181 Ų181143.9 Ų143.985%0.84677%0.767SS**  trans-61.8163.9174.6-65.3-179-17.300112.3
81P33.9Very low33.1Very low120 Ų120141.1 Ų141.178%0.77976%0.76SS**  -139.6161.4109.839.2-29.2000115.3
82S28.9Very low33.1Very low105 Ų105141.3 Ų141.373%0.73477%0.766SS**  trans-90.4128.6168.852.70000112.3
83L33.5Very low33.1Very low152 Ų152141.9 Ų141.980%0.79677%0.767SS**  trans-156.6135.7151.9-80.9113.1000106.6
84S27.1Very low33.1Very low93 Ų93140.3 Ų140.365%0.6576%0.764SS**  cis78.685.731.483.60000115.6
85T33.7Very low32.7Very low125 Ų125141.6 Ų141.677%0.76776%0.764SS**  trans-177.9104.8154.2-72.20000105
86C27Very low32.5Very low104 Ų104139.4 Ų139.470%0.70377%0.766SS**  88.7144.663.4-68.20000113.8
87N34.4Very low32.3Very low144 Ų144137.4 Ų137.477%0.7776%0.761SS**  trans78.2138.7173.1-45.2-11.3000116.6
88N33.4Very low32.2Very low114 Ų114136.5 Ų136.561%0.6176%0.764SS**  cis-156.5152.2-14-117.921.2000110.4
89E32.6Very low31.9Very low145 Ų145134.2 Ų134.268%0.67876%0.762SS**  trans51.4141.8143.9-58163.9136.900120.3
90F35.7Very low32.1Very low177 Ų177128.6 Ų128.678%0.77676%0.758SS**  cis-142.813728.1-118-83.2000113.4
91S34.6Very low31.7Very low87 Ų87132 Ų13261%0.60876%0.763SS**  trans47.9119.7146.563.80000123.5
92N32.8Very low31.7Very low157 Ų157130.6 Ų130.684%0.8476%0.762SS**  trans105.8142.4131.6-65.2-9.3000119.8
93P37.1Very low32Very low121 Ų121132.9 Ų132.979%0.78677%0.766SS**  trans-116.7161.9-131.140.4-32.3000116.3
94T30.1Very low32Very low129 Ų129132.3 Ų132.379%0.79177%0.769SS**  trans-72.7141.8172.250.40000113.7
95I32.7Very low32.3Very low164 Ų164135.8 Ų135.884%0.84178%0.779SS**  trans-126.5122.1134.2-62.9-176.9000107.5V97I95-V97 HydrophobicContact CG2-CG2 4.31Å
96S27.9Very low32.2Very low109 Ų109134.1 Ų134.176%0.76278%0.778SS**  trans-95130.2174.448.20000110.4
97V32.4Very low32.3Very low134 Ų134133.5 Ų133.581%0.81278%0.78SS**  trans-130.6130.1165.8-176.70000109I95I95-V97 HydrophobicContact CG2-CG2 4.31Å
98S27.7Very low32.3Very low109 Ų109131.4 Ų131.476%0.76278%0.783SS**  trans-92.7144-174.2-57.60000112.4
99S28.6Very low32.1Very low118 Ų118135.2 Ų135.283%0.82579%0.794SS**  trans75.1172.3155.7-155.70000118.6
100S34.8Very low32.3Very low113 Ų113138.3 Ų138.379%0.7981%0.806SS**  trans81.4135.2168.8-59.60000118.4
101R27.1Very low32.1Very low252 Ų252133.5 Ų133.595%0.95180%0.799SS**  trans-96.8118.5-179.8-62151.265.4-174.94108.9
102A34.3Very low32.1Very low90 Ų90137.5 Ų137.574%0.74481%0.813SS**  trans-154.4126.2164.800000113.3
103N33.9Very low31.9Very low153 Ų153134.7 Ų134.782%0.81881%0.806SS**  trans14.2107.3145.4-51.9-10.9000118.4L105N103-L105 PolarHBondContact O-N 3.44Å
104V34.2Very low31.8Very low141 Ų141136.6 Ų136.686%0.85581%0.809SS**  trans-82.794.3155.4-179.30000108.7
105L34.3Very low31.8Very low165 Ų165136.5 Ų136.586%0.86481%0.808SS**  trans-119.687.6156.4-83.4174.8000107.2N103N103-L105 PolarHBondContact O-N 3.44Å
106A31.7Very low31.9Very low91 Ų91135 Ų13575%0.75280%0.802SS**  trans-85.2122.2173.400000109.2
107A28.8Very low32Very low91 Ų91135.9 Ų135.975%0.75280%0.803SS**  trans-73.3133.7171.900000110.1
108A33.9Very low32.1Very low100 Ų100135.8 Ų135.883%0.82680%0.798SS**  trans-115.878.1170.700000109.3F110A108-F110 PolarHBondContact O-N 2.86Å
109F28.6Very low32.3Very low193 Ų193138.4 Ų138.485%0.84680%0.798SS**  trans-69.3108.5160.6-83.5-89.8000108.3
110F37.1Very low32.4Very low211 Ų211138.3 Ų138.393%0.92579%0.792SS**  trans-141138.7149.6-96.6-71.9000109.8A108A108-F110 PolarHBondContact O-N 2.86Å
111A32.2Very low32.3Very low75 Ų75139.6 Ų139.662%0.6279%0.791SS**  trans-75.2153.3-173.700000111.9
112N34.7Very low32.4Very low171 Ų171132.3 Ų132.391%0.91478%0.778SS**  trans-138.396.1133.2-95.2-45.5000108.1
113S28.4Very low32.3Very low99 Ų99135.7 Ų135.769%0.69278%0.779SS**  trans-64.4133.5160.5-54.80000108.5
114L33.8Very low32Very low161 Ų161134.1 Ų134.184%0.84377%0.769SS**  trans-155.786.1131.2-133.272.6000109.6
115T31.2Very low32Very low127 Ų127136.6 Ų136.678%0.77976%0.764SS**  trans-71.1130.4153.7470000108.1
116D33.4Very low32.1Very low133 Ų133136.7 Ų136.771%0.71176%0.76SS**  trans-143.6116157.5-121-40.8000110.6
117T30.1Very low32.3Very low126 Ų126139.7 Ų139.777%0.77376%0.764SS**  trans-124.995.6-179.751.10000109.3
118N34.8Very low32.8Very low132 Ų132141.3 Ų141.371%0.70677%0.766SS**  trans-139.1113.7167.2-75.2-65.6000107.1
119Q32.2Very low32.9Very low165 Ų165139.2 Ų139.277%0.77175%0.754SS**  70.611071.9-73.7-1569.500114.9
120T31.8Very low33.4Very low115 Ų115139.9 Ų139.971%0.70676%0.757SS**  trans71.6154.3150.667.40000120.2
121N31.3Very low33.5Very low141 Ų141134 Ų13475%0.75474%0.742SS**  trans58.2100.1160.4-59.5-14.2000117.1
122S29.1Very low33.7Very low98 Ų98137 Ų13769%0.68575%0.748SS**  82142.367.374.90000115.1
123Q32.1Very low33.7Very low162 Ų162134.9 Ų134.976%0.75774%0.742SS**  trans81.5102.6165.6-58.6-86.6-46.800118.2
124I29.5Very low34Very low120 Ų120139.1 Ų139.162%0.61575%0.748SS**  67.6149116.8-32.8-168000117.7
125Y34.1Very low34.1Very low192 Ų192136.6 Ų136.675%0.75374%0.739SS**  trans78.6139.4171.4-63.7-90000116.3
126Q35.1Very low34.3Very low168 Ų168133.8 Ų133.879%0.78574%0.735SS**  cis-158.2160.3-27.4-134.5177.613.200109
127N35.5Very low34.4Very low153 Ų153132.7 Ų132.782%0.81874%0.738SS**  trans-117140.5-177.5-141.5-8.5000110
128P39.1Very low34.8Very low125 Ų125134.1 Ų134.181%0.81274%0.738SS**  -146164.4120.237.2-22.3000113.7
129G37.7Very low34.7Very low56 Ų56133.5 Ų133.558%0.57774%0.735SS**  cis174.3-1582.100000111.9
130F37.9Very low34.6Very low207 Ų207132.1 Ų132.191%0.90873%0.731SS**  trans69.4132.9-177.1-55.8-76.6000115
131S38.9Very low34.7Very low87 Ų87133 Ų13361%0.60874%0.737SS**  cis157.7141.2-10.544.50000104.6
132N36.7Very low34.7Very low138 Ų138131.3 Ų131.374%0.73874%0.736SS**  cis-158.7153.712.1-96.3-18.8000110.5
133T35.7Very low34.9Very low128 Ų128132.3 Ų132.379%0.78574%0.743SS**  trans56.2144.6148.856.60000119.5
134F34.1Very low34.8Very low188 Ų188132.6 Ų132.683%0.82575%0.75SS**  cis-168150.521.8-156.8-110.1000107.9
135T36.4Very low35Very low108 Ų108136.4 Ų136.466%0.66376%0.762SS**  cis-161.9152.8-29.835.10000107.9
136G35.7Very low34.9Very low67 Ų67132.6 Ų132.669%0.69176%0.763SS**  trans107.9107.8172.100000112.8
137S35.3Very low34.9Very low110 Ų110132 Ų13277%0.76977%0.765SS**  7212958.8-58.40000112.7
138M36.9Very low34.7Very low156 Ų156132.1 Ų132.177%0.76877%0.766SS**  cis-167.2162.3-2.3-98.9-170.5-68.300107
139N32.9Very low34.6Very low119 Ų119133.5 Ų133.564%0.63677%0.765SS**  cis-161.5165-5.4-119.7-5.1000112.4
140I31Very low34.7Very low136 Ų136138.6 Ų138.670%0.69777%0.774SS**  trans13.3126.4135.8-44.4167.4000116
141T34.4Very low34.3Very low134 Ų134135.2 Ų135.282%0.82277%0.765SS**  -162.9153.965.2-37.30000113.1
142S30.1Very low34.4Very low106 Ų106138.6 Ų138.674%0.74178%0.775SS**  trans-97.1154.8172.454.60000113.5
143S34.1Very low34.2Very low119 Ų119138.5 Ų138.583%0.83277%0.774SS**  trans-171.5135.8137.242.60000112.5
144N29.5Very low34.3Very low168 Ų168138.2 Ų138.290%0.89878%0.777SS**  trans-84139.8165.2-74.3-32.8000109.3
145K34.6Very low34.4Very low199 Ų199135.9 Ų135.987%0.86577%0.773SS**  trans-151113.2156.5-130.4170.6-173.6175.30111.8
146S30.5Very low34.5Very low112 Ų112138.8 Ų138.878%0.78379%0.785SS**  trans-71147.4163.742.80000110.1
147N36.7Very low34.6Very low156 Ų156141.7 Ų141.783%0.83478%0.784SS**  trans-155.7137161.3-98.4-26.8000109.1
148N30.9Very low34.6Very low156 Ų156145.8 Ų145.883%0.83479%0.791SS**  trans-65.7155.4159.8-81.4-45.6000109.8
149I37.2Very low34.6Very low153 Ų153144.7 Ų144.779%0.78579%0.788SS**  -178.6141.4125.9-95.8155.2000112
150H38.3Very low34.8Very low164 Ų164145.8 Ų145.876%0.75979%0.794SS**  trans26.6101.7165-59.1-40000121.9
151N29.8Very low35.1Very low135 Ų135147.4 Ų147.472%0.72280%0.804SS**  10.8107.5108.7-178.328.7000117.2
152I40.9Very low35.3Very low159 Ų159147.9 Ų147.982%0.81580%0.802SS**  trans-134131.2149.8-63.7-177000107.4
153N32.4Very low35.5Very low136 Ų136149.8 Ų149.873%0.72780%0.804SS**  trans-73.7135.4178-71.5-34.4000112
154S38.5Very low35.7Very low121 Ų121150 Ų15085%0.84680%0.799SS**  trans-137128.9142.6-81.40000107.8
155N36.1Very low35.8Very low139 Ų139152 Ų15274%0.74380%0.796SS**  trans-74.5144.1174-58.9-52.9000109.5
156D37.9Very low35.8Very low169 Ų169149.2 Ų149.290%0.90479%0.79SS**  trans-148.6134.8131.7-102.7-38.3000109.6
157N37.9Very low36.1Very low128 Ų128151 Ų15168%0.68479%0.788SS**  trans-99.8130.1-178.2-77.1-70.8000110
158H36.8Very low36.2Very low196 Ų196153 Ų15391%0.90779%0.789SS**  trans-151.188.2143-101.8-60.7000111.5
159N37.1Very low36.4Very low133 Ų133153.1 Ų153.171%0.71179%0.787SS**  trans-76.7133.9153.8-73-39.3000108.5
160N35.9Very low36.3Very low143 Ų143153 Ų15377%0.76579%0.788SS**  159.695.3126.8-81.9-8.6000111.3
161D37.5Very low36.1Very low170 Ų170150.6 Ų150.691%0.90979%0.79SS**SBendtrans-137.855.7156.3-96.8-43.8000109.2
162N38.4Very low36.3Very low144 Ų144153.5 Ų153.577%0.7780%0.796SS**SBendtrans-151.8146.5168.2-89.1-64000108.6
163N35.5Very low35.9Very low146 Ų146157.3 Ų157.378%0.78180%0.8SS**  trans56.384.3175.1-64.9-21.2000117
164V36.5Very low35.9Very low122 Ų122156.3 Ų156.374%0.73980%0.804SS**  trans-109.575.1148.7-173.80000109.4N166V164-N166 VanDerWaalsContact C-N 3.29Å; V164-N166 HydrophobicContact CG1-CB 4.06Å; V164-N166 PolarHBondContact O-N 2.88Å
165Y33.4Very low35.6Very low210 Ų210159.5 Ų159.582%0.82480%0.797SS**  trans-64.995.3155-105.4-85.7000107.3M167Y165-M167 VanDerWaalsContact C-N 3.28Å; Y165-M167 PolarHBondContact O-N 3.01Å
166N34.6Very low35.3Very low141 Ų141158.6 Ų158.675%0.75480%0.802SS**  trans-8078.1-173.4-137.7-19.8000110.3V164 K168V164-N166 VanDerWaalsContact C-N 3.29Å; V164-N166 HydrophobicContact CG1-CB 4.06Å; V164-N166 PolarHBondContact O-N 2.88Å; N166-K168 PolarHBondContact O-N 2.77Å
167M36.6Very low35.3Very low150 Ų150156 Ų15674%0.73979%0.785SS**  trans-61.492.1174.9-81.2-170.4-77.500110.6Y165 M169Y165-M167 VanDerWaalsContact C-N 3.28Å; Y165-M167 PolarHBondContact O-N 3.01Å; M167-M169 PolarHBondContact O-N 2.79Å
168K37.8Very low35.3Very low197 Ų197159.2 Ų159.286%0.85779%0.789SS**  trans-82.568.1176.7-157.2169.8-171.7176.30110.9N166 N170N166-K168 PolarHBondContact O-N 2.77Å; K168-N170 PolarHBondContact O-N 3.27Å
169M35Very low35.3Very low159 Ų159157.7 Ų157.778%0.78379%0.787SS**  trans-55.7116.3169.9-76.7-71.4-172.800110.2M167M167-M169 PolarHBondContact O-N 2.79Å
170N35.7Very low35.2Very low151 Ų151157.5 Ų157.581%0.80778%0.782SS**  trans-163.9154.4160.6-109.4-35.9000111.8K168K168-N170 PolarHBondContact O-N 3.27Å
171S34.7Very low35.4Very low114 Ų114160.4 Ų160.480%0.79779%0.788SS**  trans5987.9178.6-68.10000116.8
172F32.8Very low35.3Very low196 Ų196157.2 Ų157.286%0.8677%0.771SS**  trans-47.9135.6150.4-73.5-105.7000111.5
173R33.4Very low35.3Very low239 Ų239157.8 Ų157.890%0.90277%0.772SS**  trans-158.489143.9-115169.5-168.5-93.3-1.2111.2R175R173-R175 PolarHBondContact O-N 3.42Å
174S31.1Very low35.3Very low115 Ų115154.7 Ų154.780%0.80478%0.775SS**  trans-65126168.6-47.70000109.9
175R32.3Very low35.3Very low187 Ų187153.6 Ų153.671%0.70677%0.772SS**  trans-148.872.9164.5-162.5165.9-175.314414.1111.3R173 E177R173-R175 PolarHBondContact O-N 3.42Å; R175-E177 HydrophobicContact CG-CG 4.02Å; R175-E177 IonicContact CZ-OE1 2.79Å; R175-E177 IonicContact CZ-OE2 3.3Å; R175-E177 IonicContact NE-OE1 3.91Å; R175-E177 PolarHBondContact NE-OE1 2.96Å; R175-E177 IonicContact NE-OE2 3.01Å; R175-E177 PolarHBondContact NE-OE2 3.41Å; R175-E177 IonicContact NH2-OE1 3.75Å; R175-E177 PolarHBondContact NH2-OE1 3.2Å; R175-E177 IonicContact NH2-OE2 3.79Å; R175-E177 PolarHBondContact NH2-OE2 2.98Å; R175-E177 PolarHBondContact O-N 3.49Å
176S30.9Very low35.3Very low121 Ų121150.6 Ų150.685%0.84677%0.771SS**  trans-74.2109.2159.9520000108.5
177E36.7Very low35.5Very low115 Ų115150 Ų15054%0.53777%0.772SS.*  trans-130.2125.5173.7-81-175.4160.600111.7R175R175-E177 HydrophobicContact CG-CG 4.02Å; R175-E177 IonicContact CZ-OE1 2.79Å; R175-E177 IonicContact CZ-OE2 3.3Å; R175-E177 IonicContact NE-OE1 3.91Å; R175-E177 PolarHBondContact NE-OE1 2.96Å; R175-E177 IonicContact NE-OE2 3.01Å; R175-E177 PolarHBondContact NE-OE2 3.41Å; R175-E177 IonicContact NH2-OE1 3.75Å; R175-E177 PolarHBondContact NH2-OE1 3.2Å; R175-E177 IonicContact NH2-OE2 3.79Å; R175-E177 PolarHBondContact NH2-OE2 2.98Å; R175-E177 PolarHBondContact O-N 3.49Å
178Y38.3Very low35.6Very low194 Ų194147.3 Ų147.376%0.76177%0.769SS**  trans28.4112.1147.7-59.6-86.1000119
179N37.2Very low35.7Very low164 Ų164146.7 Ų146.788%0.87777%0.768SS**  -140100.7106.9-95-46.5000109.6
180H35.2Very low35.8Very low129 Ų129144.7 Ų144.760%0.59777%0.767SS**  trans-107.2113.4174.8179.781.7000107.4D182H180-D182 IonicContact CD2-OD2 4Å; H180-D182 IonicContact CE1-OD2 2.76Å; H180-D182 WeakPolarHBondContact NE2-CB 3.28Å; H180-D182 IonicContact NE2-OD2 2.76Å; H180-D182 PolarHBondContact NE2-OD2 3.48Å
181F39.5Very low36Very low204 Ų204145.3 Ų145.390%0.89577%0.769SS**  trans-125137.3167.3-104.4-81.2000108.3
182D35.4Very low35.8Very low104 Ų104147 Ų14756%0.55677%0.769SS**  trans-136.9161.5-148.5-155.3-7.5000111.5H180H180-D182 IonicContact CD2-OD2 4Å; H180-D182 IonicContact CE1-OD2 2.76Å; H180-D182 WeakPolarHBondContact NE2-CB 3.28Å; H180-D182 IonicContact NE2-OD2 2.76Å; H180-D182 PolarHBondContact NE2-OD2 3.48Å
183I38.1Very low36Very low156 Ų156144.9 Ų144.980%0.877%0.766SS**  trans64.4115.7167.6-54155.5000115.7
184G35.5Very low36.2Very low81 Ų81142.4 Ų142.484%0.83576%0.762SS**  trans-175.262.2176.500000114.6
185S37.9Very low36.4Very low98 Ų98141.6 Ų141.669%0.68576%0.756SS**  trans-80134.6-165.557.80000117.1
186N32.7Very low36.5Very low147 Ų147139.7 Ų139.779%0.78676%0.76SS**  trans75.2164.3142.3-61-21.6000121.6
187T39.7Very low36.6Very low128 Ų128139.4 Ų139.479%0.78576%0.758SS**  trans82.384.1162.455.40000121.1
188S37.9Very low36.7Very low95 Ų95141.3 Ų141.366%0.66478%0.778SS**  62.8120.411565.20000123.8
189H40.4Very low36.7Very low184 Ų184139.7 Ų139.785%0.85278%0.777SS**  trans76.6142.1145.3-66.9-58.2000121.4
190P37.1Very low36.8Very low117 Ų117141.6 Ų141.676%0.7678%0.778SS**  trans-101.9152.2179.739.5-33.6000113.7
191I39.3Very low37.1Very low164 Ų164140.6 Ų140.684%0.84178%0.782SS**  trans-144.4138.7160.3-52.3-178.4000107.6
192D31.4Very low37.1Very low149 Ų149138.7 Ų138.780%0.79778%0.781SS**  trans-67168172.3-59.7-79.5000112.9
193L36.8Very low37.8Very low151 Ų151139.8 Ų139.879%0.79179%0.794SS**  trans164.1113.3135.2-84.8164.4000111.7
194F36.1Very low37.8Very low187 Ų187135.8 Ų135.882%0.8279%0.791SS**  trans41.1120145.6-68.5-90.8000123.8
195S36.9Very low38.4Very low98 Ų98138.9 Ų138.969%0.68579%0.794SS**  91.8148.9121.5-66.80000123.4
196N34Very low38.3Very low148 Ų148141 Ų14179%0.79180%0.798SS**  trans77.784.5157.3-65.1-5.2000120.3
197S33.2Very low38.8Very low115 Ų115142.1 Ų142.180%0.80480%0.8SS**  29.4121.4121.3-49.90000120.5
198T38.2Very low38.8Very low154 Ų154139.2 Ų139.295%0.94579%0.785SS**  trans-151.4160.11343.10000110.1
199H38.1Very low38.8Very low161 Ų161141.5 Ų141.575%0.74579%0.789SS**  trans-140.5132.5-161.3178.3-58.1000109.8
200F38.5Very low38.7Very low204 Ų204139.4 Ų139.490%0.89579%0.785SS**  trans-172.3164.4161.8-93.7-48.4000110.9
201P41.7Very low38.8Very low107 Ų107139.8 Ų139.870%0.69579%0.785SS**  trans-136.4-163.2-132.940.9-18.8000115.6
202L39.8Very low38.8Very low164 Ų164137.2 Ų137.286%0.85978%0.777SS**  trans-66.2151.9179.4-68.7160.4000114.7
203P49.7Very low39.1Very low128 Ų128137.4 Ų137.483%0.83178%0.777SS**  trans-85.1165.4163.836.9-34.5000112.1
204G38.4Very low38.9Very low72 Ų72135.1 Ų135.174%0.74277%0.773SS**  trans-166.2173.7174.200000114.8
205T48.7Very low38.7Very low146 Ų146134 Ų13490%0.89678%0.776SS**  trans-139.6120.8175.246.40000107.6
206N36.3Very low38.8Very low143 Ų143136.2 Ų136.277%0.76579%0.785SS**  cis92.59523.6-164.418.7000115.4
207M42.5Very low38.9Very low170 Ų170136 Ų13684%0.83778%0.782SS**  trans-166.783.2157.3-89.2-86.193.800105.3
208S38.8Very low39Very low66 Ų66137.5 Ų137.546%0.46278%0.782SS.*  84.5104.981.567.40000114.9
209N39.2Very low38.8Very low143 Ų143134.9 Ų134.977%0.76577%0.77SS**  176.8115.5119.7-85.5-24.6000113.3
210N37Very low38.8Very low141 Ų141132.1 Ų132.175%0.75477%0.768SS**  trans23139.6139.6-39.5-27.5000118.8
211T40.1Very low38.7Very low124 Ų124128.6 Ų128.676%0.76176%0.759SS**  cis-169107.947-44.80000108.1
212T38.8Very low38.4Very low110 Ų110130 Ų13068%0.67576%0.761SS**  89.3110.896.3-60.70000116.9
213I37.7Very low38.3Very low154 Ų154129.9 Ų129.979%0.7976%0.756SS**  trans50.4139.6133.3-59.5177.4000119.7
214S33.7Very low37.7Very low103 Ų103131.5 Ų131.572%0.7276%0.756SS**  cis-172.6166.1-16.3-89.70000109.2
215N32.1Very low37.8Very low164 Ų164131.4 Ų131.488%0.87776%0.755SS**  trans-62142.1173.7-60.6-27.3000113.5
216T37.6Very low37.8Very low143 Ų143130.7 Ų130.788%0.87775%0.753SS**  trans-150.1150.8151.2-58.50000110.4
217I37.2Very low38Very low144 Ų144128.9 Ų128.974%0.73875%0.752SS**  trans-90135.4-176-58.1151.4000110.2
218N35.4Very low37.8Very low147 Ų147127.8 Ų127.879%0.78675%0.749SS**  175.2141.9124.9-99.1-65000116.4
219S32.7Very low37.7Very low99 Ų99129.1 Ų129.169%0.69276%0.758SS**  trans-5.3142.8150.1-47.90000122.3
220S38.6Very low37.7Very low102 Ų102129.4 Ų129.471%0.71376%0.759SS**  trans114.9139.7130.180.50000120
221N36.8Very low37.7Very low131 Ų131129.9 Ų129.970%0.70176%0.756SS**  trans63.7104147.2-62-21000121.9
222N34.3Very low37.4Very low137 Ų137130.6 Ų130.673%0.73376%0.755SS**  66.6141.2119.2-64.5-27000123
223Q37.7Very low37.1Very low161 Ų161132.2 Ų132.275%0.75276%0.758SS**  trans89.6136.5137.1-98.2-179.173.800121.6
224L37.5Very low36.9Very low162 Ų162130.2 Ų130.285%0.84876%0.758SS**  trans71.2140.4158.2-56.8158.8000117
225G40.1Very low36.9Very low69 Ų69131.1 Ų131.171%0.71176%0.764SS**  cis-168.3171.4-4.400000113.3
226P50.6Low37.2Very low132 Ų132127 Ų12786%0.85775%0.753SS**  trans-128.2170.1-15742.6-29.3000118
227S40.1Very low37.2Very low105 Ų105128.2 Ų128.273%0.73475%0.748SS**  trans-172.8150.6160.859.50000108.5
228N37.6Very low37.2Very low147 Ų147126.7 Ų126.779%0.78674%0.741SS**  cis-148.7163.5-4.3-99.8-20.3000107.3
229S37.3Very low37.2Very low93 Ų93126 Ų12665%0.6574%0.738SS**  66121.856.5-123.80000113
230L38.1Very low37.5Very low149 Ų149127.9 Ų127.978%0.7874%0.74SS**  cis-144.8143.724.5-78.2166.4000109.9
231H36.9Very low37.1Very low151 Ų151129.6 Ų129.670%0.69974%0.741SS**  100.4125.759-125.4-113.5000114.1
232L35.2Very low37.2Very low140 Ų140127.3 Ų127.373%0.73374%0.741SS**  trans67.8166.9158.2-58.5168.4000119.1
233I32.6Very low37.2Very low143 Ų143127.9 Ų127.973%0.73374%0.744SS**  -166.3166.2-52-122.1-179.3000107.9
234S33.6Very low37.1Very low113 Ų113124.9 Ų124.979%0.7974%0.736SS**  trans75.2116.7165-73.90000121.8
235S32.7Very low36.9Very low121 Ų121125.5 Ų125.585%0.84674%0.735SS**  trans-41.5154.6153-36.30000117.3
236A39.2Very low36.4Very low79 Ų79127.6 Ų127.665%0.65374%0.738SS**  -178.9139.4119.800000114.1
237H37.9Very low36Very low167 Ų167125.4 Ų125.477%0.77372%0.724SS**  trans60.8158.6152.3-62.2-28.7000119.3
238N37.2Very low35.8Very low112 Ų112131.2 Ų131.260%0.59973%0.732SS**  cis-148.8133.2-21.5-104-21.6000106.2
239N34Very low35.4Very low134 Ų134130.5 Ų130.572%0.71773%0.728SS**  59.4136.587.3-91.1-23.1000116.6
240N38.7Very low35.4Very low137 Ų137135.2 Ų135.273%0.73374%0.737SS**  trans92.7146.8162.8-58.9-50000119.3
241N31.4Very low35.1Very low138 Ų138132.4 Ų132.474%0.73873%0.729SS**  cis-175165.9-36.5-126.6-44.5000109.9
242A39.2Very low35Very low83 Ų83131.9 Ų131.969%0.68673%0.732SS**  trans64.6161.5164.700000115.4
243N33.8Very low35Very low150 Ų150133.1 Ų133.180%0.80273%0.734SS**  cis-158.6166.8-3.5-129.413.1000108.2
244V35.2Very low35.2Very low97 Ų97129.8 Ų129.859%0.58872%0.722SS**  cis-156.5162.10.776.60000111
245E33.9Very low35.1Very low176 Ų176127.8 Ų127.882%0.82271%0.707SS**  trans33.5120152.9-76.2155-172.600124.1
246S29.2Very low35.2Very low112 Ų112130.8 Ų130.878%0.78371%0.707SS**  trans-88.5-172.3139.2-145.70000108.7
247P43.3Very low35Very low87 Ų87133.3 Ų133.357%0.56571%0.709SS**  cis-133.9-164.2-8.242.3-24.3000113
248Y34Very low34.8Very low226 Ų226129 Ų12989%0.88671%0.71SS**  -164.2146.7122.3-115.8-75.8000113.6
249N30.8Very low34.6Very low132 Ų132128.1 Ų128.171%0.70672%0.718SS**  trans-100.7154.5-173.3-67.9-76.8000114.1
250K36.4Very low34.6Very low193 Ų193131.3 Ų131.384%0.83973%0.725SS**  174119129.1-96.5160.5-176.2177.80111.7
251S32.1Very low34.5Very low89 Ų89132.2 Ų132.262%0.62273%0.725SS**  67.4130.688.480.60000113.5
252N35.4Very low34.6Very low140 Ų140131.4 Ų131.475%0.74973%0.727SS**  cis-166.2171.917.2-96-11000108.4
253Q35.2Very low34.4Very low167 Ų167135 Ų13578%0.7873%0.734SS**  cis-162.5171.7-10.2-97.9-89.1-46.100108.6
254P35.8Very low34.3Very low73 Ų73134.2 Ų134.247%0.47473%0.734SS.*  trans-124.1172.2-157.342.4-31.2000118.9
255C32.5Very low34.2Very low71 Ų71135 Ų13548%0.4874%0.744SS.*  trans64.5159.3153.870.60000118.8H722C255-H722 VanDerWaalsContact CB-CE1 3.42Å; C255-H722 WeakPolarHBondContact CB-CE1 3.32Å; C255-H722 VanDerWaalsContact CB-NE2 3.32Å; C255-H722 WeakPolarHBondContact CB-NE2 3.42Å
256E34.7Very low34.2Very low183 Ų183133.3 Ų133.386%0.85574%0.741SS**  cis-136.8150.349.4-66-174.1113.300118.7
257I34.1Very low34.3Very low133 Ų133138.8 Ų138.868%0.68275%0.746SS**  trans-19.9145.9151.9-63.4147.9000118.6
258G34.2Very low33.9Very low77 Ų77139.8 Ų139.879%0.79476%0.755SS**  trans179.384.6158.800000117
259A32.2Very low33.9Very low93 Ų93134.3 Ų134.377%0.76975%0.747SS**  trans-99124-179.700000113.7
260F34.5Very low34.2Very low201 Ų201135.2 Ų135.288%0.88275%0.75SS**  trans-151.5128.9166.9-99.1-76.1000114.2
261H36.9Very low33.9Very low156 Ų156133.1 Ų133.172%0.72275%0.748SS**  trans46130.7151.7-98.7-103.8000122.5L263H261-L263 PolarHBondContact O-N 2.74Å
262P33.4Very low34.2Very low120 Ų120136.7 Ų136.778%0.77976%0.76SS**PPolyproline II helixtrans-75117.3164.931.6-31.9000110.7
263L34.8Very low34Very low159 Ų159137 Ų13783%0.83276%0.76SS**PPolyproline II helixtrans-85.6132.9173.2-74.8176.4000111.9H261H261-L263 PolarHBondContact O-N 2.74Å
264V31Very low33.8Very low134 Ų134136.3 Ų136.381%0.81276%0.762SS**PPolyproline II helixtrans-77.3120.8170.7175.90000108.8
265S35Very low33.6Very low112 Ų112138.3 Ų138.378%0.78378%0.778SS**  trans-118.482.5175.6-72.30000111.9
266N33Very low33.5Very low142 Ų142140.6 Ų140.676%0.75979%0.794SS**  trans32.4113.5145.2-58.1-23000119.7
267Y30.8Very low33.5Very low226 Ų226139.8 Ų139.889%0.88679%0.794SS**  trans-62.3141.4148.6-95.6-101.1000110.9
268S34.5Very low33.7Very low108 Ų108144.6 Ų144.676%0.75580%0.804SS**  trans-101110.9160.5-69.10000109.8
269P35.7Very low33.5Very low112 Ų112151.4 Ų151.473%0.72781%0.807SS**  trans-89.5108.3176.832.8-30.4000111
270I36.2Very low34Very low150 Ų150152.6 Ų152.677%0.76981%0.807SS**  trans-96.8107.4169.3-62.5-178.7000109
271N30.9Very low34Very low150 Ų150150 Ų15080%0.80280%0.801SS**  trans-73.8127.1165.4-69.4-62.7000109.4
272L37.8Very low33.8Very low164 Ų164152.1 Ų152.186%0.85980%0.803SS**  trans-136.6110.3158.4-96.5169000109.5
273L31.9Very low34.1Very low145 Ų145156 Ų15676%0.75981%0.81SS**  trans-80.9156.7169.4-76.7159.9000110
274N29.5Very low33.9Very low153 Ų153152.3 Ų152.382%0.81880%0.798SS**  trans63.8121171.9-50.5-31.2000113.8
275S32.9Very low34.1Very low116 Ų116152.4 Ų152.481%0.81180%0.799SS**  -174165.861.842.20000111.9
276S29.1Very low34.2Very low118 Ų118151.4 Ų151.483%0.82579%0.792SS**  trans-69.2131.6-179.3-47.70000113.3
277I35.8Very low34.2Very low166 Ų166151.8 Ų151.885%0.85179%0.794SS**  trans-144.3153.5152.9-98.7137.9000110.5
278R36.9Very low34.7Very low234 Ų234149.3 Ų149.388%0.88380%0.795SS**PPolyproline II helixtrans-86146.7-159.1-50.2164.4-165.4-159.91.5112.1
279Y30.9Very low34.8Very low220 Ų220150.2 Ų150.286%0.86380%0.796SS**PPolyproline II helixtrans-85.5134.2151.8-77.9-88.2000109.4
280P43.4Very low34.8Very low119 Ų119152.8 Ų152.877%0.77380%0.804SS**PPolyproline II helixtrans-78.6150.2169.832.2-33.1000111.6
281L34.1Very low34.8Very low145 Ų145150.2 Ų150.276%0.75980%0.804SS**PPolyproline II helixtrans-88.2155.9174.5-104.671.4000112.1
282R32.4Very low35.2Very low201 Ų201146.8 Ų146.876%0.75881%0.805SS**  trans22.8134.9144.1-57.3178.7178.4-134.71.5119.1
283H39Very low35.1Very low201 Ų201144.4 Ų144.493%0.93180%0.802SS**  -134.1160.7121.3-79.3-63.3000110.6
284S30.1Very low35.5Very low83 Ų83147 Ų14758%0.5881%0.81SS**  trans-158.1166.6-171.552.80000109.2
285T36.6Very low35.8Very low135 Ų135150.2 Ų150.283%0.82881%0.811SS**  trans70.5148.1-177.273.50000113.9
286S36.8Very low36.1Very low92 Ų92151.8 Ų151.864%0.64381%0.808SS**  cis-167.9157.1-16.642.70000109.6
287D33.1Very low36.5Very low149 Ų149152.1 Ų152.180%0.79780%0.801SS**  trans26.8132.3149.7-45.9-38.3000121.7
288I40Very low36.8Very low174 Ų174150 Ų15089%0.89280%0.796SS**  -163.5140.5127.8-101.7150.7000110.1
289T36.7Very low36.9Very low128 Ų128143.7 Ų143.779%0.78579%0.788SS**  trans-99.4141.7177.449.30000111.7
290N35.6Very low37.3Very low166 Ų166140.6 Ų140.689%0.88879%0.786SS**  trans-163.9168.3132.1-127.8-44.9000114.2
291A36.7Very low37.6Very low95 Ų95139.9 Ų139.979%0.78578%0.782SS**  trans-93.7163.7-173.300000114.4
292G40.2Very low37.7Very low79 Ų79142 Ų14281%0.81479%0.785SS**  trans-171.4103.6171.900000112.7
293S35.7Very low38.2Very low113 Ų113138.6 Ų138.679%0.7978%0.781SS**  trans-86.1146.1-177-52.50000113.5
294Q40.6Very low38.1Very low199 Ų199135 Ų13593%0.9377%0.769SS**  -166.2169.4127.2-109.1157.499.300113.7
295R34.4Very low38.5Very low222 Ų222138.5 Ų138.584%0.83877%0.774SS**  trans-111.7168.4-176.2-61.2177.9171.8-153.2-0.6110.8
296I40.5Very low38.7Very low148 Ų148139.6 Ų139.676%0.75977%0.769SS**  173.3120.3124.5-87.6153000109.4
297D36.3Very low38.7Very low125 Ų125141.4 Ų141.467%0.66877%0.772SS**  trans20.9155.9131.9-34.4-52.1000120.4
298T41.9Very low38.9Very low122 Ų122138.7 Ų138.775%0.74876%0.762SS**  cis-156.1155.234.153.10000115.9
299S40.5Very low38.7Very low102 Ų102137.8 Ų137.871%0.71376%0.759SS**  trans55.3106.5141.864.80000124.6
300N39.5Very low38.8Very low155 Ų155137.7 Ų137.783%0.82976%0.764SS**  26167.899-85.910.4000122
301P48.9Very low38.9Very low104 Ų104136.3 Ų136.368%0.67576%0.762SS**  cis-143.6178.6-25.738.7-20.9000115.5
302F37Very low38.9Very low190 Ų190137 Ų13783%0.83376%0.761SS**  -168.6162.5129.5-128.2-122.8000116.3
303L41.1Very low38.7Very low128 Ų128140.5 Ų140.567%0.6776%0.76SS**  trans-47.1154.2-168.3-52.5171.6000118.7
304D37.5Very low38.7Very low127 Ų127140.6 Ų140.668%0.67976%0.756SS**  cis104.4146.26.9-155.412.7000117.7
305F39.2Very low38.3Very low155 Ų155139.3 Ų139.368%0.6876%0.755SS**  trans67.3146.2-176-58.7-83.9000116.8
306H40.6Very low38.5Very low158 Ų158134.9 Ų134.973%0.73175%0.753SS**  cis-156.3174.26.8-123.1-59.4000106.6
307N35.7Very low38.2Very low130 Ų130133.2 Ų133.270%0.69576%0.755SS**  cis-159.81621.6-166.154.5000109.1
308P39.3Very low38Very low93 Ų93135.7 Ų135.760%0.60476%0.764SS**  trans-112.9-179-16841.9-34.3000117.6
309N35.2Very low37.7Very low155 Ų155135.7 Ų135.783%0.82976%0.764SS**  trans101.992.5159.3-61-19.1000119.9
310S37.4Very low37.4Very low126 Ų126138.1 Ų138.188%0.88177%0.769SS**  trans-156.4134.8136.249.30000112.6
311T39.7Very low37Very low137 Ų137135 Ų13584%0.8476%0.759SS**  trans-61.8138.1-172.147.20000116.6
312S35.6Very low36.2Very low109 Ų109139 Ų13976%0.76277%0.769SS**  178.4139.6107.350.70000115.7
313L35.8Very low36.1Very low153 Ų153137.6 Ų137.680%0.80177%0.768SS**  trans54.8104.7146.6-62.7171.5000122.2
314T35.9Very low35.7Very low115 Ų115139 Ų13971%0.70678%0.776SS**  trans55.5101.1131.359.10000120.7
315N32.4Very low35.6Very low171 Ų171140.5 Ų140.591%0.91478%0.784SS**  trans-151.2133.9130.3-103.2-42.3000109.2
316T39.2Very low35.5Very low130 Ų130139.5 Ų139.580%0.79879%0.791SS**  trans-131.6158.1-170.936.40000113.4
317S33.1Very low35.4Very low113 Ų113137.6 Ų137.679%0.7979%0.791SS**  trans57.294.8170.857.50000117.4
318M32.6Very low35.5Very low176 Ų176137.9 Ų137.987%0.86779%0.792SS**  trans-75.2167132.9-6917863.600109.8
319V35.5Very low35.4Very low123 Ų123137.1 Ų137.175%0.74579%0.789SS**  trans70.392.3165.5-162.40000117
320N33.8Very low35.7Very low152 Ų152136.2 Ų136.281%0.81378%0.783SS**  -155.6117.4129.9-80.9-44.1000104.2
321S31.8Very low36Very low89 Ų89135.7 Ų135.762%0.62277%0.771SS**  60.1121.159.275.70000114
322E31.1Very low36Very low188 Ų188134.3 Ų134.388%0.87976%0.758SS**  trans73.9171.3175.3-50.5-168.1155.800116.9
323I35.6Very low36.4Very low161 Ų161136.1 Ų136.183%0.82675%0.754SS**  trans60.972.8-174.6-40.5177.2000115.2
324N33.3Very low37Very low157 Ų157132.8 Ų132.884%0.8474%0.741SS**  trans-159.743.5155.3-111.3-41.2000114.3
325N34.7Very low37.5Very low159 Ų159131.8 Ų131.885%0.8573%0.73SS**SBendtrans-147.191.5176.8-90.3-46.2000111.1
326T36.6Very low38.2Very low134 Ų134127.7 Ų127.782%0.82271%0.708SS**SBendtrans-179.7-28.7156.713.70000114.5
327V39.5Very low38.4Very low119 Ų119124.6 Ų124.672%0.72169%0.692SS**G310 helixtrans-84.1-32.2-161-172.90000114.7S329V327-S329 VanDerWaalsContact C-N 3.34Å; V327-S329 PolarHBondContact O-N 2.73Å
328N37.8Very low39.1Very low136 Ų136124.7 Ų124.773%0.72768%0.679SS**G310 helixtrans-87.319-165.5-64.6-11.3000116.1N332N328-N332 PolarHBondContact O-ND2 3.07Å
329S37Very low39.7Very low76 Ų76120.9 Ų120.953%0.53166%0.658SS.*G310 helixtrans-104.9-19.9-167.8-155.60000115.9V327V327-S329 VanDerWaalsContact C-N 3.34Å; V327-S329 PolarHBondContact O-N 2.73Å
330L40.7Very low40.4Very low136 Ų136121.2 Ų121.271%0.71265%0.65SS**SBendtrans-90.1-45.8-173.4-98.964.3000114N332 Q333L330-N332 PolarHBondContact O-N 2.9Å; L330-Q333 PolarHBondContact O-N 3.35Å
331D44.5Very low41Very low115 Ų115116.4 Ų116.462%0.61563%0.628SS**Hα-helixtrans-71.5-29-168.6-59.6-51.2000114.2Q333 T334 I335D331-Q333 VanDerWaalsContact C-N 3.31Å; D331-Q333 PolarHBondContact O-N 3.08Å; D331-T334 PolarHBondContact O-N 3.34Å; D331-I335 PolarHBondContact O-N 2.76Å
332N40.3Very low41.8Very low108 Ų108117 Ų11758%0.57862%0.624SS**Hα-helixtrans-66-29.9-177.9-74.3-54.3000113.3N328 L330 D336N328-N332 PolarHBondContact O-ND2 3.07Å; L330-N332 PolarHBondContact O-N 2.9Å; N332-D336 PolarHBondContact O-N 2.72Å
333Q43.3Very low42.4Very low147 Ų147115.2 Ų115.269%0.68761%0.61SS**Hα-helixtrans-73-35.9179.2-60.8-168.62100111.8L330 D331 D336 S337L330-Q333 PolarHBondContact O-N 3.35Å; D331-Q333 VanDerWaalsContact C-N 3.31Å; D331-Q333 PolarHBondContact O-N 3.08Å; Q333-D336 PolarHBondContact O-N 3.02Å; Q333-S337 PolarHBondContact O-N 3.47Å; Q333-S337 VanDerWaalsContact O-N 3.11Å
334T47.7Very low42.9Very low84 Ų84114.3 Ų114.352%0.51560%0.6SS.*Hα-helixtrans-63.5-44.4177.8-50.80000111.1D331 S337 H338D331-T334 PolarHBondContact O-N 3.34Å; T334-S337 PolarHBondContact O-N 2.85Å; T334-S337 PolarHBondContact O-OG 3.26Å; T334-H338 PolarHBondContact O-N 3.36Å
335I47.7Very low43.4Very low94 Ų94113.4 Ų113.448%0.48259%0.591SS.*Hα-helixtrans-62.5-47.2178.8-63.3168.4000110.8D331 S337 H338 F339D331-I335 PolarHBondContact O-N 2.76Å; I335-S337 VanDerWaalsContact C-N 3.25Å; I335-S337 PolarHBondContact O-N 2.98Å; I335-H338 PolarHBondContact O-N 3.11Å; I335-H338 VanDerWaalsContact O-N 3.12Å; I335-F339 HydrophobicContact CG2-CD2 3.96Å; I335-F339 HydrophobicContact CG2-CE2 4.08Å; I335-F339 PolarHBondContact O-N 3.36Å
336D45.7Very low43.6Very low84 Ų84112.9 Ų112.945%0.44958%0.581SS.*Hα-helixtrans-65.2-29.3-179.3-155.341000112.2N332 Q333 K340N332-D336 PolarHBondContact O-N 2.72Å; Q333-D336 PolarHBondContact O-N 3.02Å; D336-K340 PolarHBondContact O-N 2.99Å; D336-K340 VanDerWaalsContact O-N 3.11Å; D336-K340 IonicContact OD2-NZ 2.77Å; D336-K340 PolarHBondContact OD2-NZ 2.96Å
337S44.8Very low44.3Very low65 Ų65109.7 Ų109.746%0.45556%0.562SS.*Hα-helixtrans-66.9-41.817285.30000112.6Q333 T334 I335 K340 S341Q333-S337 PolarHBondContact O-N 3.47Å; Q333-S337 VanDerWaalsContact O-N 3.11Å; T334-S337 PolarHBondContact O-N 2.85Å; T334-S337 PolarHBondContact O-OG 3.26Å; I335-S337 VanDerWaalsContact C-N 3.25Å; I335-S337 PolarHBondContact O-N 2.98Å; S337-K340 PolarHBondContact O-N 3.46Å; S337-S341 PolarHBondContact O-N 3.16Å; S337-S341 PolarHBondContact O-OG 2.69Å
338H47Very low44.6Very low115 Ų115108.9 Ų108.953%0.53255%0.554SS.*Hα-helixtrans-69-32.5176.3-96.1-95.1000112.8T334 I335 S341 N342T334-H338 PolarHBondContact O-N 3.36Å; I335-H338 PolarHBondContact O-N 3.11Å; I335-H338 VanDerWaalsContact O-N 3.12Å; H338-S341 PolarHBondContact O-OG 3.47Å; H338-N342 WeakPolarHBondContact O-CB 3.45Å; H338-N342 PolarHBondContact O-N 3.37Å; H338-N342 PolarHBondContact O-ND2 3.43Å
339F44.8Very low45.2Very low97 Ų97110.6 Ų110.643%0.42556%0.555SS.*Hα-helixtrans-68.3-43.1172-92.2-82.9000112.1I335 Y343 Q530I335-F339 HydrophobicContact CG2-CD2 3.96Å; I335-F339 HydrophobicContact CG2-CE2 4.08Å; I335-F339 PolarHBondContact O-N 3.36Å; F339-Y343 WeakPolarHBondContact O-CB 3.48Å; F339-Y343 PolarHBondContact O-N 3.43Å; F339-Q530 VanDerWaalsContact CZ-OE1 3.31Å
340K51.6Low45.6Very low130 Ų130110.8 Ų110.857%0.56555%0.553SS**Hα-helixtrans-66.6-37.6177.7-83.7164.4-179.61390113.6D336 S337 K344D336-K340 PolarHBondContact O-N 2.99Å; D336-K340 VanDerWaalsContact O-N 3.11Å; D336-K340 IonicContact OD2-NZ 2.77Å; D336-K340 PolarHBondContact OD2-NZ 2.96Å; S337-K340 PolarHBondContact O-N 3.46Å; K340-K344 PolarHBondContact O-N 3.28Å; K340-K344 VanDerWaalsContact O-N 3.14Å
341S46.5Very low45.6Very low50 Ų50106.8 Ų106.835%0.3554%0.539SS..Hα-helixtrans-68.1-47.9177.163.20000111.7S337 H338 Y343 K344 H345S337-S341 PolarHBondContact O-N 3.16Å; S337-S341 PolarHBondContact O-OG 2.69Å; H338-S341 PolarHBondContact O-OG 3.47Å; S341-Y343 PolarHBondContact O-N 3.4Å; S341-K344 PolarHBondContact O-N 3.47Å; S341-H345 PolarHBondContact O-CD2 3.25Å; S341-H345 VanDerWaalsContact O-CD2 3.32Å; S341-H345 PolarHBondContact O-N 3.22Å
342N47.2Very low45.5Very low103 Ų103104.1 Ų104.155%0.55153%0.533SS*.Hα-helixtrans-62.1-41178.2-77.9-53.5000112.6H338 H345 F346H338-N342 WeakPolarHBondContact O-CB 3.45Å; H338-N342 PolarHBondContact O-N 3.37Å; H338-N342 PolarHBondContact O-ND2 3.43Å; N342-H345 PolarHBondContact O-N 3.17Å; N342-F346 PolarHBondContact O-N 3.39Å
343Y43.1Very low45.4Very low149 Ų149101.4 Ų101.458%0.58453%0.526SS*.Hα-helixtrans-62.8-42.8174.5-113.2-81.3000112.3F339 S341 H345 F346 T347F339-Y343 WeakPolarHBondContact O-CB 3.48Å; F339-Y343 PolarHBondContact O-N 3.43Å; S341-Y343 PolarHBondContact O-N 3.4Å; Y343-H345 PolarHBondContact O-N 3.15Å; Y343-F346 PolarHBondContact O-N 3.11Å; Y343-T347 PolarHBondContact O-N 3.25Å; Y343-T347 PolarHBondContact O-OG1 3.22Å
344K46.7Very low45.2Very low142 Ų14296.8 Ų96.862%0.61751%0.512SS*.Hα-helixtrans-61.1-42.1174.7-84.2-173.5172.6-174.90112.5K340 S341 F346 T347 N348K340-K344 PolarHBondContact O-N 3.28Å; K340-K344 VanDerWaalsContact O-N 3.14Å; S341-K344 PolarHBondContact O-N 3.47Å; K344-F346 VanDerWaalsContact C-N 3.34Å; K344-F346 PolarHBondContact O-N 3.3Å; K344-T347 PolarHBondContact O-OG1 3.07Å; K344-T347 VanDerWaalsContact O-OG1 3.13Å; K344-N348 WeakPolarHBondContact O-CB 3.26Å; K344-N348 PolarHBondContact O-N 3.45Å; K344-N348 PolarHBondContact O-OD1 3.03Å
345H43.3Very low45.1Very low139 Ų13996.7 Ų96.764%0.64451%0.512SS*.Hα-helixtrans-64.6-37.9176.9-84.1-73.8000112.3S341 N342 Y343 K349S341-H345 PolarHBondContact O-CD2 3.25Å; S341-H345 VanDerWaalsContact O-CD2 3.32Å; S341-H345 PolarHBondContact O-N 3.22Å; N342-H345 PolarHBondContact O-N 3.17Å; Y343-H345 PolarHBondContact O-N 3.15Å; H345-K349 PolarHBondContact O-N 2.89Å
346F39.7Very low44.9Very low147 Ų14795 Ų9565%0.64551%0.511SS*.Hα-helixtrans-66-51.7174.9-167.4-94000111.7N342 Y343 K344 N348 K349 T350N342-F346 PolarHBondContact O-N 3.39Å; Y343-F346 PolarHBondContact O-N 3.11Å; K344-F346 VanDerWaalsContact C-N 3.34Å; K344-F346 PolarHBondContact O-N 3.3Å; F346-N348 VanDerWaalsContact C-N 3.3Å; F346-N348 PolarHBondContact O-N 3.27Å; F346-K349 PolarHBondContact O-N 3.32Å; F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 3.21Å
347T51.8Low44.8Very low68 Ų6897.4 Ų97.442%0.41752%0.522SS..Hα-helixtrans-61.4-38.6179.354.80000112.3Y343 K344 T350 A351Y343-T347 PolarHBondContact O-N 3.25Å; Y343-T347 PolarHBondContact O-OG1 3.22Å; K344-T347 PolarHBondContact O-OG1 3.07Å; K344-T347 VanDerWaalsContact O-OG1 3.13Å; T347-T350 PolarHBondContact O-N 3.37Å; T347-A351 VanDerWaalsContact O-CB 3.26Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 3.09Å
348N46.5Very low44.5Very low102 Ų102101.2 Ų101.255%0.54553%0.532SS..Hα-helixtrans-71.9-34.8180-698.1000112.1K344 F346 A352K344-N348 WeakPolarHBondContact O-CB 3.26Å; K344-N348 PolarHBondContact O-N 3.45Å; K344-N348 PolarHBondContact O-OD1 3.03Å; F346-N348 VanDerWaalsContact C-N 3.3Å; F346-N348 PolarHBondContact O-N 3.27Å; N348-A352 WeakPolarHBondContact O-CB 3.44Å; N348-A352 PolarHBondContact O-N 3.3Å
349K48.7Very low44.1Very low172 Ų172100.6 Ų100.675%0.74854%0.537SS*.Hα-helixtrans-66.7-40.8171.5-105.9-177174.4178.90112H345 F346 A353H345-K349 PolarHBondContact O-N 2.89Å; F346-K349 PolarHBondContact O-N 3.32Å; K349-A353 WeakPolarHBondContact O-CB 3.4Å; K349-A353 PolarHBondContact O-N 3.36Å
350T45.3Very low43.7Very low80 Ų80100.2 Ų100.249%0.49155%0.551SS.*Hα-helixtrans-67.5-41.2175.9-54.10000112F346 T347 A353 A354F346-T350 PolarHBondContact O-N 3.15Å; F346-T350 PolarHBondContact O-OG1 3.21Å; T347-T350 PolarHBondContact O-N 3.37Å; T350-A353 PolarHBondContact O-N 3.5Å; T350-A354 PolarHBondContact O-N 2.69Å
351A40.8Very low42.8Very low51 Ų5198.7 Ų98.742%0.42156%0.557SS.*Hα-helixtrans-66.4-42.5176.100000112.1T347 A353 A354 V355T347-A351 VanDerWaalsContact O-CB 3.26Å; T347-A351 WeakPolarHBondContact O-CB 3.46Å; T347-A351 PolarHBondContact O-N 3.09Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.5Å; A351-A354 PolarHBondContact O-N 3.09Å; A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 2.71Å
352A42.6Very low42.2Very low60 Ų60102.3 Ų102.350%0.49658%0.577SS.*Hα-helixtrans-62.4-39.5174.400000112N348 A356N348-A352 WeakPolarHBondContact O-CB 3.44Å; N348-A352 PolarHBondContact O-N 3.3Å; A352-A356 VanDerWaalsContact O-CB 3.26Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.14Å
353A38.9Very low41.5Very low51 Ų51100.1 Ų100.142%0.42158%0.579SS.*Hα-helixtrans-66.5-35.3173.900000112.9K349 T350 A351 M357K349-A353 WeakPolarHBondContact O-CB 3.4Å; K349-A353 PolarHBondContact O-N 3.36Å; T350-A353 PolarHBondContact O-N 3.5Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.5Å; A353-M357 WeakPolarHBondContact O-CG 3.42Å; A353-M357 PolarHBondContact O-N 3.47Å
354A38.8Very low40.8Very low49 Ų4996.8 Ų96.841%0.40559%0.589SS.*Hα-helixtrans-67.8-48.9174.100000111.7T350 A351 A356 M357 E358T350-A354 PolarHBondContact O-N 2.69Å; A351-A354 PolarHBondContact O-N 3.09Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 3.37Å; A354-M357 PolarHBondContact O-N 3.24Å; A354-E358 PolarHBondContact O-N 2.72Å
355V44.6Very low40.2Very low83 Ų8398.2 Ų98.250%0.50360%0.601SS.*Hα-helixtrans-62.5-34.6177.5172.60000111.7A351 E358 T359A351-V355 WeakPolarHBondContact O-CG2 3.49Å; A351-V355 PolarHBondContact O-N 2.71Å; V355-E358 PolarHBondContact O-N 3.32Å; V355-T359 HydrophobicContact CG1-CG2 4.49Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.45Å; V355-T359 PolarHBondContact O-N 3.11Å; V355-T359 PolarHBondContact O-OG1 3.26Å
356A44.3Very low39.6Very low57 Ų5799.6 Ų99.647%0.47161%0.613SS.*Hα-helixtrans-67.3-31172.500000113.4A352 A354 A360A352-A356 VanDerWaalsContact O-CB 3.26Å; A352-A356 WeakPolarHBondContact O-CB 3.42Å; A352-A356 PolarHBondContact O-N 3.14Å; A354-A356 VanDerWaalsContact C-N 3.28Å; A354-A356 PolarHBondContact O-N 3.37Å; A356-A360 VanDerWaalsContact O-CB 3.29Å; A356-A360 WeakPolarHBondContact O-CB 3.49Å; A356-A360 PolarHBondContact O-N 3.46Å
357M42.8Very low39.4Very low135 Ų13599.9 Ų99.967%0.66562%0.619SS**Hα-helixtrans-79.2-32.9173.4-73.3-171.8-70.200112.7A353 A354 S361A353-M357 WeakPolarHBondContact O-CG 3.42Å; A353-M357 PolarHBondContact O-N 3.47Å; A354-M357 PolarHBondContact O-N 3.24Å; M357-S361 PolarHBondContact O-N 3.12Å
358E40.3Very low38.4Very low145 Ų145101.6 Ų101.668%0.67864%0.641SS**Hα-helixtrans-72.1-38.2178.5-161.2159.4-144.500111.7A354 V355 V362A354-E358 PolarHBondContact O-N 2.72Å; V355-E358 PolarHBondContact O-N 3.32Å; E358-V362 PolarHBondContact O-N 3.08Å
359T37.4Very low37.5Very low102 Ų10299.5 Ų99.563%0.62664%0.643SS**Hα-helixtrans-76.6-17.8175.550.20000114.6V355V355-T359 HydrophobicContact CG1-CG2 4.49Å; V355-T359 WeakPolarHBondContact O-CB 3.44Å; V355-T359 WeakPolarHBondContact O-CG2 3.45Å; V355-T359 PolarHBondContact O-N 3.11Å; V355-T359 PolarHBondContact O-OG1 3.26Å
360A36Very low36.8Very low89 Ų89101.8 Ų101.874%0.73665%0.648SS**Hα-helixtrans-90.2-10.3176.800000114.2A356A356-A360 VanDerWaalsContact O-CB 3.29Å; A356-A360 WeakPolarHBondContact O-CB 3.49Å; A356-A360 PolarHBondContact O-N 3.46Å
361S34Very low36.5Very low99 Ų99104.8 Ų104.869%0.69266%0.661SS**Hα-helixtrans-118.2-19.3-173.3-167.20000114.9M357M357-S361 PolarHBondContact O-N 3.12Å
362V33.7Very low35.9Very low126 Ų126110.1 Ų110.176%0.76468%0.683SS**SBendtrans-13981-179.1-169.70000110E358E358-V362 PolarHBondContact O-N 3.08Å
363G31.6Very low35.7Very low57 Ų57111.5 Ų111.559%0.58869%0.694SS**  trans-148.159.3-168.800000114.8M365G363-M365 PolarHBondContact O-N 2.92Å; G363-M365 VanDerWaalsContact O-N 3.11Å
364G30.2Very low35.3Very low78 Ų78114.9 Ų114.980%0.80471%0.714SS**  trans-65.8106.4174.900000112N366G364-N366 PolarHBondContact O-N 2.79Å
365M34.1Very low35.5Very low173 Ų173120 Ų12085%0.85273%0.734SS**  trans-72.979.6-176.5-70.7-176.1-76.200113.1G363 I367G363-M365 PolarHBondContact O-N 2.92Å; G363-M365 VanDerWaalsContact O-N 3.11Å; M365-I367 PolarHBondContact O-N 2.86Å
366N30.2Very low35.1Very low168 Ų168122.1 Ų122.190%0.89874%0.743SS**  trans-76.874.9163-90.5-29.8000110.7G364G364-N366 PolarHBondContact O-N 2.79Å
367I34.8Very low34.7Very low152 Ų152124.8 Ų124.878%0.77975%0.748SS**  trans-101.1104.6160.4-63.2-179000107.1M365M365-I367 PolarHBondContact O-N 2.86Å
368A30.8Very low34.6Very low105 Ų105123.7 Ų123.787%0.86875%0.749SS**  trans-77.4122.1-179.600000111.1
369G28.4Very low34.7Very low57 Ų57119.5 Ų119.559%0.58874%0.735SS**  trans155.6143.2172.200000113
370Y34.2Very low35.4Very low221 Ų221120 Ų12087%0.86774%0.741SS**  trans67.169.5167.8-50-72.3000117.7
371N37.1Very low36Very low142 Ų142119.9 Ų119.976%0.75973%0.725SS**  39.9109.8124.9-54.9-13.1000119.5
372N29Very low36.5Very low164 Ų164120 Ų12088%0.87772%0.715SS**  trans57.373.4133.7-56.2-13.5000118.8
373A37.8Very low37.4Very low88 Ų88119.8 Ų119.873%0.72771%0.709SS**  trans-140.4100.9152.500000110.9L375A373-L375 PolarHBondContact O-N 3Å
374S31.7Very low38.5Very low122 Ų122124.1 Ų124.185%0.85371%0.708SS**  trans-78.795.5-179.954.50000111.7
375L41.9Very low39.2Very low156 Ų156126 Ų12682%0.81770%0.695SS**  trans-95.198.2173-70.3177.5000110.9A373 I377A373-L375 PolarHBondContact O-N 3Å; L375-I377 PolarHBondContact O-N 3.38Å
376N37.5Very low39.8Very low128 Ų128124.3 Ų124.368%0.68469%0.687SS**  trans-75.2100179.2-179.922.5000111.6T378N376-T378 VanDerWaalsContact C-N 3.32Å; N376-T378 PolarHBondContact ND2-OG1 3.44Å; N376-T378 VanDerWaalsContact ND2-OG1 3.12Å; N376-T378 PolarHBondContact O-N 2.97Å; N376-T378 VanDerWaalsContact O-N 3.08Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.32Å; N376-T378 PolarHBondContact OD1-OG1 2.99Å
377I35.7Very low40.6Very low113 Ų113118.3 Ų118.358%0.57967%0.665SS**  trans-85.174.2177.7-54.9-179.8000110L375 M382L375-I377 PolarHBondContact O-N 3.38Å; I377-M382 HydrophobicContact CB-CE 4.39Å; I377-M382 HydrophobicContact CG1-CE 4.03Å; I377-M382 HydrophobicContact CG2-CE 3.93Å
378T40.7Very low41.3Very low112 Ų112115.7 Ų115.769%0.68765%0.649SS**  trans-122.570.5169.751.60000111.2N376N376-T378 VanDerWaalsContact C-N 3.32Å; N376-T378 PolarHBondContact ND2-OG1 3.44Å; N376-T378 VanDerWaalsContact ND2-OG1 3.12Å; N376-T378 PolarHBondContact O-N 2.97Å; N376-T378 VanDerWaalsContact O-N 3.08Å; N376-T378 WeakPolarHBondContact OD1-CG2 3.32Å; N376-T378 PolarHBondContact OD1-OG1 2.99Å
379S41.4Very low41.9Very low57 Ų57117.1 Ų117.140%0.39964%0.642SS.*  trans-148.4124.9165.3179.20000110.5E381 M382S379-E381 PolarHBondContact O-N 2.98Å; S379-E381 VanDerWaalsContact O-N 3.11Å; S379-M382 PolarHBondContact O-N 3.32Å
380P52Low42.5Very low113 Ų113121.1 Ų121.173%0.73465%0.648SS**Hα-helixtrans-57.2-24.8-179.9-2836.2000115.1I383 R384P380-I383 PolarHBondContact O-N 3.18Å; P380-R384 PolarHBondContact O-N 3.36Å
381E49.5Very low43Very low86 Ų86115.7 Ų115.740%0.40264%0.638SS.*Hα-helixtrans-72.5-28.6-179.2-79.1-71.2-165.200113.9S379 I383 R384 H385S379-E381 PolarHBondContact O-N 2.98Å; S379-E381 VanDerWaalsContact O-N 3.11Å; E381-I383 VanDerWaalsContact C-N 3.31Å; E381-I383 PolarHBondContact O-N 3.49Å; E381-R384 VanDerWaalsContact CD-NH2 3.32Å; E381-R384 WeakPolarHBondContact O-CB 3.5Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 IonicContact OE1-CZ 2.76Å; E381-R384 IonicContact OE1-NE 2.71Å; E381-R384 IonicContact OE1-NH2 3.22Å; E381-R384 PolarHBondContact OE1-NH2 3.4Å; E381-R384 IonicContact OE2-CZ 3.4Å; E381-R384 IonicContact OE2-NE 2.91Å; E381-R384 PolarHBondContact OE2-NE 3.18Å; E381-R384 IonicContact OE2-NH2 3.29Å; E381-R384 PolarHBondContact OE2-NH2 3.11Å; E381-R384 VanDerWaalsContact OE2-NH2 3.09Å; E381-H385 PolarHBondContact O-N 3.01Å
382M44.6Very low43.2Very low101 Ų101115 Ų11550%0.49864%0.638SS.*Hα-helixtrans-70.3-31.3176.6-65.7-139.5-61.900112I377 S379 R384 H385 M386I377-M382 HydrophobicContact CB-CE 4.39Å; I377-M382 HydrophobicContact CG1-CE 4.03Å; I377-M382 HydrophobicContact CG2-CE 3.93Å; S379-M382 PolarHBondContact O-N 3.32Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-H385 PolarHBondContact O-N 3.41Å; M382-M386 PolarHBondContact O-N 3.23Å
383I52.5Low43.9Very low123 Ų123111.7 Ų111.763%0.63162%0.624SS**Hα-helixtrans-64.7-38.1170.9-60.5175.3000109.9P380 E381 M386 G387P380-I383 PolarHBondContact O-N 3.18Å; E381-I383 VanDerWaalsContact C-N 3.31Å; E381-I383 PolarHBondContact O-N 3.49Å; I383-M386 PolarHBondContact O-N 3.46Å; I383-G387 PolarHBondContact O-N 2.93Å
384R53.5Low44.1Very low148 Ų148111.1 Ų111.156%0.55862%0.615SS**Hα-helixtrans-68.3-38.9178.8-149163.267.7113.8-4.5112.4P380 E381 M382 Q388P380-R384 PolarHBondContact O-N 3.36Å; E381-R384 VanDerWaalsContact CD-NH2 3.32Å; E381-R384 WeakPolarHBondContact O-CB 3.5Å; E381-R384 PolarHBondContact O-N 2.95Å; E381-R384 VanDerWaalsContact O-N 3.14Å; E381-R384 IonicContact OE1-CZ 2.76Å; E381-R384 IonicContact OE1-NE 2.71Å; E381-R384 IonicContact OE1-NH2 3.22Å; E381-R384 PolarHBondContact OE1-NH2 3.4Å; E381-R384 IonicContact OE2-CZ 3.4Å; E381-R384 IonicContact OE2-NE 2.91Å; E381-R384 PolarHBondContact OE2-NE 3.18Å; E381-R384 IonicContact OE2-NH2 3.29Å; E381-R384 PolarHBondContact OE2-NH2 3.11Å; E381-R384 VanDerWaalsContact OE2-NH2 3.09Å; M382-R384 VanDerWaalsContact C-N 3.29Å; R384-Q388 WeakPolarHBondContact O-CG 3.28Å; R384-Q388 PolarHBondContact O-N 3.01Å
385H46.4Very low45.2Very low116 Ų116109.6 Ų109.654%0.53760%0.604SS.*Hα-helixtrans-72.3-35.8173.3-86.3-70.8000114E381 M382 Q388 N389E381-H385 PolarHBondContact O-N 3.01Å; M382-H385 PolarHBondContact O-N 3.41Å; H385-Q388 PolarHBondContact ND1-OE1 2.89Å; H385-Q388 PolarHBondContact O-N 3Å; H385-N389 PolarHBondContact O-N 3.39Å
386M45.5Very low46.1Very low138 Ų138107.5 Ų107.568%0.6859%0.594SS**Hα-helixtrans-66.5-37.8170.9-88.3-177.1159.700112.4M382 I383 Q388 N389 M390M382-M386 PolarHBondContact O-N 3.23Å; I383-M386 PolarHBondContact O-N 3.46Å; M386-Q388 PolarHBondContact O-N 3.35Å; M386-N389 PolarHBondContact O-N 2.71Å; M386-M390 PolarHBondContact O-N 3Å
387G48.4Very low47.4Very low43 Ų43107 Ų10744%0.44359%0.591SS.*Hα-helixtrans-61.3-27.817500000113.9I383I383-G387 PolarHBondContact O-N 2.93Å
388Q48Very low48.8Very low96 Ų96103.5 Ų103.545%0.44958%0.579SS.*Hα-helixtrans-74.3-40.7174.8-71.9167.7-11.500112.3R384 H385 M386 M390 T391R384-Q388 WeakPolarHBondContact O-CG 3.28Å; R384-Q388 PolarHBondContact O-N 3.01Å; H385-Q388 PolarHBondContact ND1-OE1 2.89Å; H385-Q388 PolarHBondContact O-N 3Å; M386-Q388 PolarHBondContact O-N 3.35Å; Q388-M390 PolarHBondContact O-N 3.43Å; Q388-T391 WeakPolarHBondContact O-CB 3.36Å; Q388-T391 WeakPolarHBondContact O-CG2 3.43Å; Q388-T391 PolarHBondContact O-N 2.85Å; Q388-T391 PolarHBondContact O-OG1 3.49Å
389N43.6Very low49.9Very low135 Ų135101 Ų10172%0.72257%0.57SS**Hα-helixtrans-78-13.8-175.1-78.3-11.5000115.1H385 M386 T391H385-N389 PolarHBondContact O-N 3.39Å; M386-N389 PolarHBondContact O-N 2.71Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 3.03Å
390M40.6Very low51.3Low142 Ų142103.2 Ų103.270%0.758%0.581SS**THydrogen-bonded Turntrans-80.1-3.3172.1-70.4-166.1-69.500114.2M386 Q388 V392M386-M390 PolarHBondContact O-N 3Å; Q388-M390 PolarHBondContact O-N 3.43Å; M390-V392 PolarHBondContact O-N 3.33Å
391T44.9Very low52.2Low107 Ų107100.2 Ų100.266%0.65657%0.566SS**THydrogen-bonded Turntrans-71.9-9.1-178.359.20000114.7Q388 N389 T393Q388-T391 WeakPolarHBondContact O-CB 3.36Å; Q388-T391 WeakPolarHBondContact O-CG2 3.43Å; Q388-T391 PolarHBondContact O-N 2.85Å; Q388-T391 PolarHBondContact O-OG1 3.49Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 3.03Å; T391-T393 PolarHBondContact O-N 3.28Å; T391-T393 VanDerWaalsContact O-N 3.16Å
392V42.5Very low53.2Low126 Ų126100.9 Ų100.976%0.76458%0.575SS**SBendtrans-85.827.5-175.5-1530000113M390M390-V392 PolarHBondContact O-N 3.33Å
393T43.4Very low54.6Low96 Ų9698.9 Ų98.959%0.58958%0.575SS**SBendtrans-127143.9173.758.90000110.3T391 S395T391-T393 PolarHBondContact O-N 3.28Å; T391-T393 VanDerWaalsContact O-N 3.16Å; T393-S395 PolarHBondContact O-N 3.49Å; T393-S395 VanDerWaalsContact O-N 3.15Å
394S42.1Very low55.7Low76 Ų7695.8 Ų95.853%0.53157%0.568SS.*  trans-40.7115.1-16460.70000114.1N396 N397S394-N396 PolarHBondContact O-N 2.91Å; S394-N397 PolarHBondContact O-N 2.96Å; S394-N397 PolarHBondContact OG-ND2 2.89Å
395S55.7Low56.8Low89 Ų8994.5 Ų94.562%0.62257%0.571SS**Hα-helixtrans-43.1-43.1-168.552.90000115.2T393 N397 A398 A399T393-S395 PolarHBondContact O-N 3.49Å; T393-S395 VanDerWaalsContact O-N 3.15Å; S395-N397 PolarHBondContact O-N 3.06Å; S395-A398 PolarHBondContact O-N 3.26Å; S395-A399 WeakPolarHBondContact O-CB 3.45Å; S395-A399 PolarHBondContact O-N 3.34Å
396N60.1Low58.2Low113 Ų11391.7 Ų91.760%0.60457%0.567SS**Hα-helixtrans-61.3-38.1-177-63.2-26000113.4S394 V400S394-N396 PolarHBondContact O-N 2.91Å; N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.83Å
397N64.5Low59.7Low116 Ų11688 Ų8862%0.6256%0.559SS**Hα-helixtrans-76.7-41.2-178.2-69.1-16.5000111.4S394 S395 V400 A401S394-N397 PolarHBondContact O-N 2.96Å; S394-N397 PolarHBondContact OG-ND2 2.89Å; S395-N397 PolarHBondContact O-N 3.06Å; N397-V400 PolarHBondContact O-N 3Å; N397-A401 PolarHBondContact O-N 3.02Å
398A64.3Low61.1Low40 Ų4088.6 Ų88.633%0.33156%0.56SS.*Hα-helixtrans-62.7-42.817500000111.5S395 V400 A401 V402S395-A398 PolarHBondContact O-N 3.26Å; A398-V400 PolarHBondContact O-N 3.05Å; A398-A401 PolarHBondContact O-N 3.21Å; A398-V402 WeakPolarHBondContact O-CG2 3.29Å; A398-V402 PolarHBondContact O-N 3.14Å
399A65.3Low62.4Low61 Ų6186.3 Ų86.350%0.50456%0.558SS.*Hα-helixtrans-61.3-42.2176.100000112.6S395 A403S395-A399 WeakPolarHBondContact O-CB 3.45Å; S395-A399 PolarHBondContact O-N 3.34Å; A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.24Å
400V70.2Confident63.9Low102 Ų10282.7 Ų82.762%0.61855%0.546SS*.Hα-helixtrans-66.1-40.5175.6170.50000111.7N396 N397 A398 A403 A404N396-V400 WeakPolarHBondContact O-CG2 3.47Å; N396-V400 PolarHBondContact O-N 2.83Å; N397-V400 PolarHBondContact O-N 3Å; A398-V400 PolarHBondContact O-N 3.05Å; V400-A403 PolarHBondContact O-N 3.22Å; V400-A404 WeakPolarHBondContact O-CB 3.47Å; V400-A404 PolarHBondContact O-N 3.13Å
401A70.7Confident65.3Low51 Ų5178 Ų7842%0.42153%0.53SS..Hα-helixtrans-63.4-46.6176.800000112.1N397 A398 A403 A404 I405N397-A401 PolarHBondContact O-N 3.02Å; A398-A401 PolarHBondContact O-N 3.21Å; A401-A403 PolarHBondContact O-N 3.44Å; A401-A404 PolarHBondContact O-N 3.35Å; A401-I405 WeakPolarHBondContact O-CG1 3.29Å; A401-I405 PolarHBondContact O-N 3.4Å
402V71.3Confident66.6Low99 Ų9976.9 Ų76.960%0.652%0.523SS*.Hα-helixtrans-63.1-41.9176.2172.70000111.2A398 A404 I405 A406A398-V402 WeakPolarHBondContact O-CG2 3.29Å; A398-V402 PolarHBondContact O-N 3.14Å; V402-A404 VanDerWaalsContact C-N 3.35Å; V402-A404 PolarHBondContact O-N 3.34Å; V402-I405 PolarHBondContact O-N 3.32Å; V402-A406 WeakPolarHBondContact O-CB 3.26Å; V402-A406 PolarHBondContact O-N 3.12Å
403A72.8Confident67.9Low60 Ų6076.2 Ų76.250%0.49652%0.515SS..Hα-helixtrans-63.8-37.9175.800000112.6A399 V400 A401 A407A399-A403 VanDerWaalsContact O-CB 3.26Å; A399-A403 WeakPolarHBondContact O-CB 3.35Å; A399-A403 PolarHBondContact O-N 3.24Å; V400-A403 PolarHBondContact O-N 3.22Å; A401-A403 PolarHBondContact O-N 3.44Å; A403-A407 VanDerWaalsContact O-CB 3.27Å; A403-A407 WeakPolarHBondContact O-CB 3.22Å; A403-A407 PolarHBondContact O-N 3.27Å
404A75.5Confident69.1Low58 Ų5879.5 Ų79.548%0.47952%0.518SS..Hα-helixtrans-66.9-43.4175.600000112.1V400 A401 V402 A407 A408V400-A404 WeakPolarHBondContact O-CB 3.47Å; V400-A404 PolarHBondContact O-N 3.13Å; A401-A404 PolarHBondContact O-N 3.35Å; V402-A404 VanDerWaalsContact C-N 3.35Å; V402-A404 PolarHBondContact O-N 3.34Å; A404-A407 PolarHBondContact O-N 3.11Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.11Å
405I77.5Confident70.1Confident120 Ų12081.8 Ų81.862%0.61552%0.522SS*.Hα-helixtrans-63.3-44.5175.5-67.3164.9000110.6A401 V402 A408 A409A401-I405 WeakPolarHBondContact O-CG1 3.29Å; A401-I405 PolarHBondContact O-N 3.4Å; V402-I405 PolarHBondContact O-N 3.32Å; I405-A408 PolarHBondContact O-N 3.3Å; I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.47Å
406A76.3Confident70.4Confident57 Ų5780.9 Ų80.947%0.47151%0.512SS..Hα-helixtrans-63.4-41.2176.700000112.3V402 A409 A410V402-A406 WeakPolarHBondContact O-CB 3.26Å; V402-A406 PolarHBondContact O-N 3.12Å; A406-A409 PolarHBondContact O-N 3.31Å; A406-A410 VanDerWaalsContact O-CB 3.27Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.36Å
407A77.2Confident70.4Confident61 Ų6179.3 Ų79.350%0.50452%0.515SS..Hα-helixtrans-65.9-39175.400000112.4A403 A404 A411A403-A407 VanDerWaalsContact O-CB 3.27Å; A403-A407 WeakPolarHBondContact O-CB 3.22Å; A403-A407 PolarHBondContact O-N 3.27Å; A404-A407 PolarHBondContact O-N 3.11Å; A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.18Å
408A76.2Confident70Confident55 Ų5578.9 Ų78.946%0.45551%0.513SS..Hα-helixtrans-65.1-47.6174.500000111.6A404 I405 A410 A411 T412A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.11Å; I405-A408 PolarHBondContact O-N 3.3Å; A408-A410 VanDerWaalsContact C-N 3.34Å; A408-A410 PolarHBondContact O-N 2.78Å; A408-A411 WeakPolarHBondContact O-CB 3.41Å; A408-A411 PolarHBondContact O-N 2.95Å; A408-A411 VanDerWaalsContact O-N 3.17Å; A408-T412 PolarHBondContact O-N 3.28Å; A408-T412 PolarHBondContact O-OG1 3.47Å
409A74.9Confident69.8Low49 Ų4980.9 Ų80.941%0.40552%0.521SS..Hα-helixtrans-62-40.1176.400000112.3I405 A406 T412 N413I405-A409 WeakPolarHBondContact O-CB 3.42Å; I405-A409 PolarHBondContact O-N 3.47Å; A406-A409 PolarHBondContact O-N 3.31Å; A409-T412 PolarHBondContact O-N 2.99Å; A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.36Å; A409-N413 PolarHBondContact O-ND2 2.94Å
410A75.3Confident69Low58 Ų5881.2 Ų81.248%0.47953%0.531SS..Hα-helixtrans-64.4-39.7173.600000112.2A406 A408 Y414A406-A410 VanDerWaalsContact O-CB 3.27Å; A406-A410 WeakPolarHBondContact O-CB 3.37Å; A406-A410 PolarHBondContact O-N 3.36Å; A408-A410 VanDerWaalsContact C-N 3.34Å; A408-A410 PolarHBondContact O-N 2.78Å; A410-Y414 VanDerWaalsContact O-CB 3.24Å; A410-Y414 WeakPolarHBondContact O-CB 3.46Å; A410-Y414 PolarHBondContact O-N 3.17Å
411A71.2Confident67.9Low44 Ų4482.9 Ų82.936%0.36453%0.533SS..Hα-helixtrans-65.1-44.5174.700000111.9A407 A408 Y414 M415A407-A411 WeakPolarHBondContact O-CB 3.47Å; A407-A411 PolarHBondContact O-N 3.18Å; A408-A411 WeakPolarHBondContact O-CB 3.41Å; A408-A411 PolarHBondContact O-N 2.95Å; A408-A411 VanDerWaalsContact O-N 3.17Å; A411-Y414 PolarHBondContact O-N 3.32Å; A411-M415 WeakPolarHBondContact O-CG 3.21Å; A411-M415 PolarHBondContact O-N 3.08Å
412T71.7Confident66.6Low83 Ų8384.9 Ų84.951%0.50954%0.544SS..Hα-helixtrans-60.5-48.2175-57.90000111.3A408 A409 Y414 M415 V416A408-T412 PolarHBondContact O-N 3.28Å; A408-T412 PolarHBondContact O-OG1 3.47Å; A409-T412 PolarHBondContact O-N 2.99Å; T412-Y414 VanDerWaalsContact C-N 3.33Å; T412-Y414 PolarHBondContact O-N 2.82Å; T412-M415 PolarHBondContact O-N 2.92Å; T412-V416 HydrophobicContact CG2-CG2 4.48Å; T412-V416 WeakPolarHBondContact O-CG2 3.26Å; T412-V416 PolarHBondContact O-N 3.37Å
413N69Low65.1Low112 Ų11287.4 Ų87.460%0.59955%0.554SS**Hα-helixtrans-62.4-38.5177-74-17.2000112.2A409 A417A409-N413 WeakPolarHBondContact O-CB 3.37Å; A409-N413 PolarHBondContact O-N 3.36Å; A409-N413 PolarHBondContact O-ND2 2.94Å; N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.21Å
414Y69.2Low63.5Low165 Ų16593.8 Ų93.865%0.64757%0.571SS**Hα-helixtrans-69.1-32.5175.5-173.8-93.6000112.7A410 A411 T412 N418A410-Y414 VanDerWaalsContact O-CB 3.24Å; A410-Y414 WeakPolarHBondContact O-CB 3.46Å; A410-Y414 PolarHBondContact O-N 3.17Å; A411-Y414 PolarHBondContact O-N 3.32Å; T412-Y414 VanDerWaalsContact C-N 3.33Å; T412-Y414 PolarHBondContact O-N 2.82Å; Y414-N418 VanDerWaalsContact CE1-ND2 3.29Å; Y414-N418 WeakPolarHBondContact CE1-ND2 3.39Å; Y414-N418 VanDerWaalsContact CZ-ND2 3.27Å; Y414-N418 WeakPolarHBondContact O-CB 3.49Å; Y414-N418 PolarHBondContact O-N 3.35Å; Y414-N418 PolarHBondContact O-ND2 3.47Å
415M63.3Low61.5Low125 Ų12594.2 Ų94.262%0.61658%0.581SS**Hα-helixtrans-69.3-51172.2-72.5178.8-175.700110.8A411 T412 A417 N418 T419A411-M415 WeakPolarHBondContact O-CG 3.21Å; A411-M415 PolarHBondContact O-N 3.08Å; T412-M415 PolarHBondContact O-N 2.92Å; M415-A417 VanDerWaalsContact C-N 3.31Å; M415-A417 PolarHBondContact O-N 2.92Å; M415-N418 PolarHBondContact O-N 3.46Å; M415-T419 WeakPolarHBondContact O-CG2 3.35Å; M415-T419 PolarHBondContact O-N 3.42Å; M415-T419 PolarHBondContact O-OG1 3.35Å
416V61.4Low59.4Low70 Ų7095.3 Ų95.342%0.42459%0.593SS.*Hα-helixtrans-57-42.8177.8171.80000111.7T412 N418 G420T412-V416 HydrophobicContact CG2-CG2 4.48Å; T412-V416 WeakPolarHBondContact O-CG2 3.26Å; T412-V416 PolarHBondContact O-N 3.37Å; V416-N418 VanDerWaalsContact C-N 3.26Å; V416-N418 PolarHBondContact O-N 2.9Å; V416-G420 PolarHBondContact O-N 3.45Å
417A61.9Low57.3Low80 Ų8097.2 Ų97.266%0.66160%0.603SS**Hα-helixtrans-65.8-23.1177.600000114.3N413 M415N413-A417 WeakPolarHBondContact O-CB 3.26Å; N413-A417 PolarHBondContact O-N 3.21Å; M415-A417 VanDerWaalsContact C-N 3.31Å; M415-A417 PolarHBondContact O-N 2.92Å
418N56Low55.4Low106 Ų10699.7 Ų99.757%0.56762%0.617SS**Hα-helixtrans-105.4-17.9-178.3-75.6-62.2000114.4Y414 M415 V416Y414-N418 VanDerWaalsContact CE1-ND2 3.29Å; Y414-N418 WeakPolarHBondContact CE1-ND2 3.39Å; Y414-N418 VanDerWaalsContact CZ-ND2 3.27Å; Y414-N418 WeakPolarHBondContact O-CB 3.49Å; Y414-N418 PolarHBondContact O-N 3.35Å; Y414-N418 PolarHBondContact O-ND2 3.47Å; M415-N418 PolarHBondContact O-N 3.46Å; V416-N418 VanDerWaalsContact C-N 3.26Å; V416-N418 PolarHBondContact O-N 2.9Å
419T59Low53.4Low82 Ų82104.8 Ų104.850%0.50363%0.631SS.*Hα-helixtrans-92-18.7175.660.20000113.5M415 M421M415-T419 WeakPolarHBondContact O-CG2 3.35Å; M415-T419 PolarHBondContact O-N 3.42Å; M415-T419 PolarHBondContact O-OG1 3.35Å; T419-M421 HydrophobicContact CG2-SD 4.32Å; T419-M421 PolarHBondContact O-N 3.38Å; T419-M421 VanDerWaalsContact O-N 3.15Å
420G48Very low51.7Low69 Ų69110.8 Ų110.871%0.71166%0.655SS**  trans65.512.5-178.500000114.2V416 S422V416-G420 PolarHBondContact O-N 3.45Å; G420-S422 PolarHBondContact O-N 3.19Å
421M48.1Very low49.6Very low137 Ų137115.2 Ų115.268%0.67567%0.67SS**  trans-78.4107.7-177.6-67.4168.366.400109.8T419T419-M421 HydrophobicContact CG2-SD 4.32Å; T419-M421 PolarHBondContact O-N 3.38Å; T419-M421 VanDerWaalsContact O-N 3.15Å
422S43.8Very low47.8Very low93 Ų93121 Ų12165%0.6570%0.695SS**  trans-63.9148.1170.747.90000111.4G420 F424G420-S422 PolarHBondContact O-N 3.19Å; S422-F424 PolarHBondContact O-N 2.79Å
423N38.6Very low46.1Very low151 Ų151122.5 Ų122.581%0.80771%0.708SS**  trans-60.1106.4179-79.6-6.9000111.5
424F39.1Very low44.5Very low195 Ų195120.3 Ų120.386%0.85571%0.712SS**  trans-79128150.6-79.6-89.7000108.2S422S422-F424 PolarHBondContact O-N 2.79Å
425G33.8Very low43Very low66 Ų66121.3 Ų121.368%0.6872%0.722SS**  trans-83.5159.6-153.800000116.5
426V33Very low41.6Very low143 Ų143119.7 Ų119.787%0.86772%0.723SS**  trans-116.154.5165.7-72.80000110.6S428V426-S428 PolarHBondContact O-N 2.71Å
427S32.8Very low40.5Very low98 Ų98127 Ų12769%0.68574%0.744SS**  trans-94.678.9175.6-63.10000110.9H429S427-H429 VanDerWaalsContact C-N 3.28Å; S427-H429 PolarHBondContact O-N 3.18Å
428S37.6Very low39.3Very low113 Ų113131.2 Ų131.279%0.7975%0.749SS**  trans-73.371.8-178.3-56.30000112.9V426 L430V426-S428 PolarHBondContact O-N 2.71Å; S428-L430 PolarHBondContact O-N 2.63Å; S428-L430 VanDerWaalsContact O-N 3.1Å
429H33.6Very low38.7Very low162 Ų162131.7 Ų131.775%0.7576%0.761SS**  trans-68.9102.6172.2-81.8-92.7000111.2S427 N431S427-H429 VanDerWaalsContact C-N 3.28Å; S427-H429 PolarHBondContact O-N 3.18Å; H429-N431 PolarHBondContact O-N 2.94Å
430L40.1Very low37.7Very low175 Ų175130.6 Ų130.692%0.91677%0.766SS**  trans-79.1110.1165.6-74.5170000109.5S428S428-L430 PolarHBondContact O-N 2.63Å; S428-L430 VanDerWaalsContact O-N 3.1Å
431N29.6Very low37.7Very low150 Ų150134.8 Ų134.880%0.80277%0.771SS**  trans-74.2139.2174.7-76.5-50.7000111.6H429H429-N431 PolarHBondContact O-N 2.94Å
432L35.1Very low37.3Very low166 Ų166135.5 Ų135.587%0.86978%0.777SS**  trans-146.3104.5154.2-14974000112.1
433S35.9Very low37.1Very low114 Ų114134.5 Ų134.580%0.79778%0.781SS**  trans38.6129.4152.262.40000121.6
434G34.7Very low37.3Very low66 Ų66132 Ų13268%0.6878%0.775SS**  trans154.871140.100000119.8
435H37.3Very low37.3Very low186 Ų186129.2 Ų129.286%0.86177%0.77SS**  trans59.9160.6155.3-65.8-63.7000119.3
436S35.1Very low37.5Very low91 Ų91134.1 Ų134.164%0.63678%0.777SS**  cis-169.3155.6-35.5-97.20000107.7
437R38.2Very low37.8Very low225 Ų225135.6 Ų135.685%0.84978%0.778SS**  trans79.3119.5173.9-63-178.2175.41311.8114.5
438E37.1Very low38.1Very low168 Ų168136.1 Ų136.179%0.78578%0.782SS**  89.4126.255.4-177.4-175.9-160.900110
439S41.6Very low38.2Very low116 Ų116136.7 Ų136.781%0.81178%0.783SS**  cis-1601744.145.70000112.3
440G38.2Very low38.3Very low59 Ų59134.1 Ų134.161%0.60878%0.783SS**  trans140.395.9150.700000119.1
441I48.2Very low38.3Very low157 Ų157130.5 Ų130.581%0.80577%0.773SS**  47.2128121.9-53.2147.5000117.7
442D40.3Very low39Very low151 Ų151129.6 Ų129.681%0.80777%0.773SS**  cis-153159.4-9.6-106.1-18.9000106.1
443G39.1Very low39.2Very low72 Ų72127.1 Ų127.174%0.74277%0.766SS**  83.4127.973.700000111.2
444S42Very low39Very low98 Ų98127.6 Ų127.669%0.68577%0.768SS**  cis-159.4-173047.50000110.5
445D40.8Very low39.1Very low137 Ų137133.2 Ų133.273%0.73378%0.777SS**  trans63.7100.1159.3-44-45.5000117
446M36.4Very low39Very low169 Ų169134.4 Ų134.483%0.83377%0.774SS**  cis58.797.224.4-70.9-71.5-176.200115.3
447I41.2Very low39Very low175 Ų175137.2 Ų137.290%0.89778%0.781SS**  trans-158.8146.4136.5-101.5150.4000109.5
448S37.4Very low38.7Very low108 Ų108132.9 Ų132.976%0.75577%0.774SS**  trans-97.8167.6-164.3-85.80000114.6
449P39.7Very low38.8Very low126 Ų126132.5 Ų132.582%0.81877%0.77SS**  trans-95.2165.8-160.737.4-37.7000115.7
450S36.7Very low38.7Very low108 Ų108135.2 Ų135.276%0.75577%0.77SS**  trans-146.9133.3168.553.70000114.8
451S39.5Very low38.4Very low99 Ų99138.7 Ų138.769%0.69278%0.775SS**  trans27108.4149.5570000122
452T44.5Very low38Very low131 Ų131136.9 Ų136.980%0.80477%0.767SS**  25.1154.1114.159.60000121.6
453P40Very low38Very low113 Ų113135.5 Ų135.573%0.73476%0.76SS**  cis-137.8172.2-33.539.8-23.2000114
454C31.4Very low38.2Very low125 Ų125138.1 Ų138.185%0.84576%0.757SS**  trans25.8110.4157.9-62.90000120.3
455E37Very low38.1Very low184 Ų184138.9 Ų138.986%0.8675%0.753SS**  -150.1-176.2117.7-125.3-158.8156.500114.8
456R34.7Very low38.3Very low210 Ų210139 Ų13979%0.79275%0.749SS**  trans-92.2172.7-157.4-73168.4154.6163-7114.9
457L34.8Very low38.5Very low151 Ų151137.6 Ų137.679%0.79174%0.74SS**  trans86.2102.9144.5-82158.3000120
458N32.7Very low38.5Very low133 Ų133136.3 Ų136.371%0.71173%0.732SS**  102.6151.7112.5-154.78.7000118.7
459K37.9Very low38.6Very low160 Ų160137.8 Ų137.870%0.69673%0.727SS**  trans78.7126.7164.7-70.4174.2-178.4174.40120.4
460Q39.3Very low38.7Very low173 Ų173138.4 Ų138.481%0.80872%0.723SS**  trans71.1116145.1-65.6161.1-61.900116.7
461N33.3Very low38.9Very low132 Ų132137.7 Ų137.771%0.70672%0.718SS**  cis99.7142.933.9-175.154.7000112.5
462N39.2Very low39.1Very low120 Ų120139.7 Ų139.764%0.64273%0.726SS**  trans69.6145.5-176.1-61.4-12.3000114.1
463N41.6Very low38.9Very low122 Ų122139.7 Ų139.765%0.65272%0.721SS**  cis-164.3164.7-4-117.6-1000112.5
464N42.1Very low38.8Very low127 Ų127141.3 Ų141.368%0.67972%0.722SS**  trans70.9144.7154.3-59.3-5.1000118.2
465N40.7Very low39.2Very low114 Ų114138.8 Ų138.861%0.6172%0.718SS**  cis-165.9170.6-8.8-120.96.3000113.7
466H44Very low39.4Very low139 Ų139137.2 Ų137.264%0.64472%0.715SS**  trans71.3115.6162.6-59.7-52.2000116.7
467Q41.9Very low39.8Very low140 Ų140135.3 Ų135.365%0.65472%0.715SS**  95.9138.160-91.8178.2-20.900110.9
468M41Very low40.1Very low147 Ų147134.3 Ų134.372%0.72471%0.71SS**  cis-146.7172.23.8-53-177.7172.700108.4
469E39.7Very low40.5Very low139 Ų139135.7 Ų135.765%0.6572%0.717SS**  cis-170.8176.5-26-101.5170.5-139.600108.9
470N40.8Very low40.6Very low139 Ų139133.3 Ų133.374%0.74372%0.721SS**  trans73.5144.7162.4-68.2-59.5000120.8
471S41.2Very low40.7Very low93 Ų93130.8 Ų130.865%0.6572%0.722SS**  cis-176.1159.9-28-103.10000110.2
472V43.5Very low41.1Very low141 Ų141128.1 Ų128.186%0.85573%0.725SS**  trans71.9142167.4-170.60000117.7
473N40.1Very low41.5Very low131 Ų131127.5 Ų127.570%0.70173%0.731SS**  cis-165.1149-41.1-146.53.8000112.1
474I38.4Very low41.6Very low147 Ų147128.4 Ų128.475%0.75474%0.736SS**  trans35132.3152.5-70.1161000122.1
475G39.8Very low42Very low73 Ų73129.9 Ų129.975%0.75374%0.743SS**  trans175.287.6158.300000117.8
476N41.6Very low42.1Very low150 Ų150129.4 Ų129.480%0.80275%0.749SS**  trans10.5138.3158.5-52.8-14.3000119.9
477H42.3Very low42.5Very low170 Ų170129.8 Ų129.879%0.78776%0.761SS**  -161.4161.150.7-169.1-87.5000112.7
478L41Very low42.8Very low131 Ų131133.9 Ų133.969%0.68677%0.77SS**  trans-98.8149.1-177.4-51.390.2000113.1
479N41.8Very low43.1Very low161 Ų161131.7 Ų131.786%0.86177%0.769SS**  -177.8160.1100.1-97.3-30.8000112.4
480S40.2Very low43.4Very low111 Ų111131.3 Ų131.378%0.77678%0.782SS**  trans-131.8165.7-165.4-173.90000113.3
481S41.1Very low44.1Very low120 Ų120132.3 Ų132.384%0.83979%0.787SS**  trans99.8109.9164.7-42.60000116.2
482G40.8Very low44.9Very low75 Ų75132.6 Ų132.677%0.77379%0.789SS**  trans173.966.5176.700000116.6
483S47.6Very low45.9Very low107 Ų107132 Ų13275%0.74879%0.788SS**  trans49.3105.9154.5-590000121.2
484N44.7Very low47.3Very low142 Ų142131.3 Ų131.376%0.75979%0.788SS**  42.5103.2123.8-48.7-19.6000119.3
485N50.7Low49Very low158 Ų158131 Ų13185%0.84578%0.783SS**  179.9148.5104.2-91.1-33.3000114.9V487N485-V487 PolarHBondContact O-N 2.91Å
486S42.9Very low51Low104 Ų104132.4 Ų132.473%0.72777%0.773SS**  trans-39.3109.5178165.80000116.8
487V51.2Low53Low147 Ų147131.9 Ų131.989%0.89176%0.759SS**  trans-108.485.1158.7-173.30000108.9N485 S489N485-V487 PolarHBondContact O-N 2.91Å; V487-S489 PolarHBondContact O-N 3.2Å
488R49Very low54.9Low225 Ų225128.8 Ų128.885%0.84976%0.755SS**  trans-86.4101.8-172.3-177.5-177.9177.2-148.80.5111.3
489S47Very low57.1Low101 Ų101132.1 Ų132.171%0.70676%0.758SS**  trans39.9103.3160.1-530000117.3V487 L491V487-S489 PolarHBondContact O-N 3.2Å; S489-L491 PolarHBondContact O-N 3.16Å
490S45.9Very low59Low131 Ų131128.9 Ų128.992%0.91674%0.739SS**  trans-62.890.6169.653.90000112.3
491L56Low60.7Low161 Ų161127.9 Ų127.984%0.84373%0.728SS**PPolyproline II helixtrans-78.9136.6162.9-73.2164.1000108.9S489S489-L491 PolarHBondContact O-N 3.16Å
492S56.8Low61.9Low99 Ų99128.1 Ų128.169%0.69273%0.725SS**PPolyproline II helixtrans-62.5145.8-175.643.30000112.2T494S492-T494 PolarHBondContact O-N 3.24Å; S492-T494 VanDerWaalsContact O-N 3.11Å
493P64.2Low62.9Low128 Ų128128.1 Ų128.183%0.83171%0.709SS**PPolyproline II helixtrans-58.5118.1169.1-20.932.6000109.4H495P493-H495 PolarHBondContact O-N 3.46Å
494T69.8Low63.3Low116 Ų116124.6 Ų124.671%0.71269%0.69SS**PPolyproline II helixtrans-64.1128.9173.335.30000109.1S492 I496S492-T494 PolarHBondContact O-N 3.24Å; S492-T494 VanDerWaalsContact O-N 3.11Å; T494-I496 PolarHBondContact O-N 2.94Å
495H75.1Confident64Low140 Ų140123.7 Ų123.765%0.64869%0.692SS**  trans-73.375.7-176.4-174.5-82.6000111.1P493 W497P493-H495 PolarHBondContact O-N 3.46Å; H495-W497 AromaticContact CE1-CD2 3.7Å; H495-W497 AromaticContact CE1-CE2 3.73Å; H495-W497 AromaticContact CE1-CE3 3.67Å; H495-W497 AromaticContact CE1-CH2 3.72Å; H495-W497 AromaticContact CE1-CZ2 3.75Å; H495-W497 AromaticContact CE1-CZ3 3.69Å; H495-W497 AromaticContact ND1-CD2 3.87Å; H495-W497 AromaticContact ND1-CE2 3.64Å; H495-W497 AromaticContact ND1-CZ2 3.88Å; H495-W497 AromaticContact ND1-NE1 3.92Å; H495-W497 PolarHBondContact O-N 3.15Å
496I80.3Confident64.3Low104 Ų104123.5 Ų123.553%0.53369%0.691SS.*  trans-73.5105.4174.7-61172.3000107.8T494 M500 T501T494-I496 PolarHBondContact O-N 2.94Å; I496-M500 HydrophobicContact CG2-CB 4.01Å; I496-M500 WeakPolarHBondContact CG2-O 3.34Å; I496-T501 HydrophobicContact CG2-CG2 4.22Å
497W84.7Confident65Low138 Ų138119.8 Ų119.852%0.52367%0.665SS.*  trans-54.9146.7172.8-58.791.7000110.8H495 W499 M500 T501H495-W497 AromaticContact CE1-CD2 3.7Å; H495-W497 AromaticContact CE1-CE2 3.73Å; H495-W497 AromaticContact CE1-CE3 3.67Å; H495-W497 AromaticContact CE1-CH2 3.72Å; H495-W497 AromaticContact CE1-CZ2 3.75Å; H495-W497 AromaticContact CE1-CZ3 3.69Å; H495-W497 AromaticContact ND1-CD2 3.87Å; H495-W497 AromaticContact ND1-CE2 3.64Å; H495-W497 AromaticContact ND1-CZ2 3.88Å; H495-W497 AromaticContact ND1-NE1 3.92Å; H495-W497 PolarHBondContact O-N 3.15Å; W497-W499 HydrophobicContact CB-CG 4.32Å; W497-W499 AromaticContact CG-NE1 3.73Å; W497-W499 PolarHBondContact O-N 2.9Å; W497-W499 VanDerWaalsContact O-N 3.08Å; W497-M500 HydrophobicContact CB-CB 4.37Å; W497-M500 HydrophobicContact CB-CG 4.13Å; W497-M500 HydrophobicContact CG-SD 4.5Å; W497-M500 CarbonylContact O-C 3.53Å; W497-M500 WeakPolarHBondContact O-CA 3.46Å; W497-M500 WeakPolarHBondContact O-CB 3.3Å; W497-M500 PolarHBondContact O-N 3.47Å; W497-T501 PolarHBondContact O-N 3.49Å
498P82.7Confident65.2Low106 Ų106119.6 Ų119.669%0.68866%0.664SS**G310 helixtrans-53.1-35.4-179.3-30.736.8000114.4M500 T501P498-M500 VanDerWaalsContact C-N 3.32Å; P498-M500 PolarHBondContact O-N 3.26Å; P498-T501 WeakPolarHBondContact O-CB 3.48Å; P498-T501 WeakPolarHBondContact O-CG2 3.35Å; P498-T501 PolarHBondContact O-N 3.16Å; P498-T501 PolarHBondContact O-OG1 2.98Å
499W86.5Confident65.4Low200 Ų200116.8 Ų116.876%0.75866%0.66SS**G310 helixtrans-72.1-22175.370.9-94.6000114.1W497 T501W497-W499 HydrophobicContact CB-CG 4.32Å; W497-W499 AromaticContact CG-NE1 3.73Å; W497-W499 PolarHBondContact O-N 2.9Å; W497-W499 VanDerWaalsContact O-N 3.08Å; W499-T501 VanDerWaalsContact C-N 3.34Å
500M81.4Confident65.8Low93 Ų93121.6 Ų121.646%0.45866%0.663SS.*G310 helixtrans-89.67.2174.3-62.2-169.285.600113I496 W497 P498 V502I496-M500 HydrophobicContact CG2-CB 4.01Å; I496-M500 WeakPolarHBondContact CG2-O 3.34Å; W497-M500 HydrophobicContact CB-CB 4.37Å; W497-M500 HydrophobicContact CB-CG 4.13Å; W497-M500 HydrophobicContact CG-SD 4.5Å; W497-M500 CarbonylContact O-C 3.53Å; W497-M500 WeakPolarHBondContact O-CA 3.46Å; W497-M500 WeakPolarHBondContact O-CB 3.3Å; W497-M500 PolarHBondContact O-N 3.47Å; P498-M500 VanDerWaalsContact C-N 3.32Å; P498-M500 PolarHBondContact O-N 3.26Å; M500-V502 VanDerWaalsContact C-N 3.28Å; M500-V502 PolarHBondContact O-N 3.41Å
501T75.9Confident66.5Low90 Ų90125.6 Ų125.655%0.55266%0.658SS**  trans-65.889.3176.253.90000110.6I496 W497 P498 W499 V503I496-T501 HydrophobicContact CG2-CG2 4.22Å; W497-T501 PolarHBondContact O-N 3.49Å; P498-T501 WeakPolarHBondContact O-CB 3.48Å; P498-T501 WeakPolarHBondContact O-CG2 3.35Å; P498-T501 PolarHBondContact O-N 3.16Å; P498-T501 PolarHBondContact O-OG1 2.98Å; W499-T501 VanDerWaalsContact C-N 3.34Å; T501-V503 VanDerWaalsContact C-N 3.33Å; T501-V503 PolarHBondContact O-N 2.9Å
502V65.8Low67.1Low126 Ų126129.6 Ų129.676%0.76466%0.662SS**  trans-6698.5169.1-179.10000106.5M500 G504M500-V502 VanDerWaalsContact C-N 3.28Å; M500-V502 PolarHBondContact O-N 3.41Å; V502-G504 WeakPolarHBondContact O-CA 3.32Å; V502-G504 PolarHBondContact O-N 2.98Å
503V62Low68.2Low75 Ų75128 Ų12846%0.45566%0.662SS.*  trans-44.4111.2172.4-131.70000107.5T501 S507T501-V503 VanDerWaalsContact C-N 3.33Å; T501-V503 PolarHBondContact O-N 2.9Å; V503-S507 WeakPolarHBondContact CB-OG 3.48Å; V503-S507 WeakPolarHBondContact CG1-OG 3.39Å; V503-S507 PolarHBondContact O-OG 3.38Å
504G57.7Low69.4Low33 Ų33130.2 Ų130.234%0.3465%0.653SS.*  trans-61.7164.4-157.500000113.2V502 N506 S507V502-G504 WeakPolarHBondContact O-CA 3.32Å; V502-G504 PolarHBondContact O-N 2.98Å; G504-N506 PolarHBondContact O-N 3.42Å; G504-S507 PolarHBondContact N-OG 3.1Å; G504-S507 WeakPolarHBondContact O-CB 3.37Å; G504-S507 PolarHBondContact O-N 3.03Å; G504-S507 PolarHBondContact O-OG 3.45Å
505P59.3Low70.4Confident122 Ų122131.3 Ų131.379%0.79265%0.65SS**THydrogen-bonded Turntrans-56.1-23.1-176.721.3-32.9000114.2
506N55.3Low71.4Confident154 Ų154129.7 Ų129.782%0.82465%0.65SS**THydrogen-bonded Turntrans-95.40.9178.5-59.3-2000113.8G504 V508G504-N506 PolarHBondContact O-N 3.42Å; N506-V508 PolarHBondContact O-N 2.95Å
507S57.6Low72.3Confident26 Ų26126.9 Ų126.918%0.18263%0.633CS.*  trans-77.9116.1175.265.20000110.4V503 G504 Q509 R510V503-S507 WeakPolarHBondContact CB-OG 3.48Å; V503-S507 WeakPolarHBondContact CG1-OG 3.39Å; V503-S507 PolarHBondContact O-OG 3.38Å; G504-S507 PolarHBondContact N-OG 3.1Å; G504-S507 WeakPolarHBondContact O-CB 3.37Å; G504-S507 PolarHBondContact O-N 3.03Å; G504-S507 PolarHBondContact O-OG 3.45Å; S507-Q509 PolarHBondContact O-N 3.31Å; S507-R510 VanDerWaalsContact O-CG 3.26Å; S507-R510 WeakPolarHBondContact O-CG 3.34Å; S507-R510 PolarHBondContact O-N 3.41Å
508V55.3Low72.9Confident144 Ų144123 Ų12387%0.87363%0.627SS**SBendtrans-66.6-18.4-177-178.20000112N506 R510N506-V508 PolarHBondContact O-N 2.95Å; V508-R510 PolarHBondContact O-N 3.26Å
509Q54.2Low73.6Confident165 Ų165127.5 Ų127.577%0.77163%0.63SS**  trans-70.541.3168.1-66.4157.5-32.500112.8S507 R511S507-Q509 PolarHBondContact O-N 3.31Å; Q509-R511 PolarHBondContact O-N 3.44Å
510R55.7Low74.2Confident202 Ų202124.3 Ų124.376%0.76262%0.619SS**  trans-58114.8175.3-61-150-63.4-166.8-0.8109S507 V508 R512S507-R510 VanDerWaalsContact O-CG 3.26Å; S507-R510 WeakPolarHBondContact O-CG 3.34Å; S507-R510 PolarHBondContact O-N 3.41Å; V508-R510 PolarHBondContact O-N 3.26Å; R510-R512 PolarHBondContact O-N 2.82Å
511R60.4Low75Confident215 Ų215121.4 Ų121.481%0.81160%0.604SS**  trans-28.594.2-175.3-68.4-173.5177.7-135.3-0.5112.5Q509 G513Q509-R511 PolarHBondContact O-N 3.44Å; R511-G513 PolarHBondContact O-N 3.39Å; R511-G513 VanDerWaalsContact O-N 3.11Å
512R69.3Low76Confident245 Ų245120 Ų12093%0.92560%0.596SS**  trans-62.6116.1-173.2-166.8172.2-176172.20.9108.1R510 R514R510-R512 PolarHBondContact O-N 2.82Å; R512-R514 PolarHBondContact O-N 3.13Å
513G79.7Confident77.6Confident67 Ų67118.8 Ų118.869%0.69159%0.585SS**  trans-55131.9-173.400000111R511 Q515R511-G513 PolarHBondContact O-N 3.39Å; R511-G513 VanDerWaalsContact O-N 3.11Å; G513-Q515 PolarHBondContact O-N 2.9Å; G513-Q515 VanDerWaalsContact O-N 3.09Å
514R88.1Confident79.3Confident174 Ų174117.5 Ų117.566%0.65757%0.573SS**  trans-67.4111.8178.6-170.6-173-166.9-778.1108.5R512 T516R512-R514 PolarHBondContact O-N 3.13Å; R514-T516 PolarHBondContact O-N 3.15Å
515Q92Very high81.3Confident139 Ų139115.9 Ų115.965%0.6556%0.557SS**PPolyproline II helixtrans-56.1133.5173.5-17654.547.900110.1G513G513-Q515 PolarHBondContact O-N 2.9Å; G513-Q515 VanDerWaalsContact O-N 3.09Å
516T95.8Very high83.1Confident106 Ų106112.6 Ų112.665%0.6553%0.531SS*.PPolyproline II helixtrans-85.2144.4169.746.90000109.7R514R514-T516 PolarHBondContact O-N 3.15Å
517Y97.9Very high85.2Confident45 Ų45110.4 Ų110.418%0.17651%0.514CS..PPolyproline II helixtrans-75.5148.5171.7-57.7-59.4000109.8L549 Q553 W557Y517-L549 HydrophobicContact CD1-CD1 3.9Å; Y517-L549 HydrophobicContact CD1-CD2 3.88Å; Y517-L549 HydrophobicContact CE1-CD1 3.93Å; Y517-L549 HydrophobicContact CE1-CD2 3.8Å; Y517-Q553 HydrophobicContact CE1-CB 4.46Å; Y517-W557 AromaticContact CD2-CD1 3.84Å; Y517-W557 AromaticContact CE2-CD1 3.61Å
518S97.9Very high87.1Confident56 Ų56110 Ų11039%0.39251%0.51SS..PPolyproline II helixtrans-67.9163.4175.583.10000111.2Y520 Q521 T522S518-Y520 VanDerWaalsContact C-N 3.26Å; S518-Y520 PolarHBondContact O-N 2.88Å; S518-Y520 PolarHBondContact OG-N 2.82Å; S518-Q521 PolarHBondContact O-N 2.68Å; S518-Q521 WeakPolarHBondContact OG-CG 3.38Å; S518-Q521 PolarHBondContact OG-N 2.91Å; S518-Q521 VanDerWaalsContact OG-N 3.08Å; S518-T522 WeakPolarHBondContact O-CB 3.44Å; S518-T522 PolarHBondContact O-N 3.26Å; S518-T522 PolarHBondContact O-OG1 3.42Å
519R98Very high89.2Confident200 Ų200103.3 Ų103.376%0.75547%0.469SS*.Hα-helixtrans-59-40.2174.7-172.9177.4179.2-173.7-0.8111.5T522 L523R519-T522 PolarHBondContact O-N 3.48Å; R519-L523 HydrophobicContact CG-CD1 4.15Å; R519-L523 VanDerWaalsContact O-CG 3.28Å; R519-L523 WeakPolarHBondContact O-CG 3.43Å; R519-L523 PolarHBondContact O-N 2.85Å
520Y98.2Very high91.2Very high134 Ų134100.3 Ų100.353%0.52546%0.455SS..Hα-helixtrans-63.8-50.5176.1173.6-112.1000112.1S518 T522 L523 E524 L547S518-Y520 VanDerWaalsContact C-N 3.26Å; S518-Y520 PolarHBondContact O-N 2.88Å; S518-Y520 PolarHBondContact OG-N 2.82Å; Y520-T522 VanDerWaalsContact C-N 3.25Å; Y520-T522 PolarHBondContact O-N 2.97Å; Y520-L523 PolarHBondContact O-N 3.07Å; Y520-L523 VanDerWaalsContact O-N 3.13Å; Y520-E524 HydrophobicContact CD2-CG 4.13Å; Y520-E524 HydrophobicContact CE1-CG 4.48Å; Y520-E524 HydrophobicContact CE2-CG 3.54Å; Y520-E524 PolarHBondContact O-N 3.33Å; Y520-L547 HydrophobicContact CD1-CD2 4.47Å; Y520-L547 HydrophobicContact CE1-CD2 3.86Å
521Q98.4Very high93.2Very high31 Ų31100.1 Ų100.115%0.14546%0.455CS..Hα-helixtrans-55.5-43.2175.8-72.8172.6-26.600111.4S518 L525 L547 L549S518-Q521 PolarHBondContact O-N 2.68Å; S518-Q521 WeakPolarHBondContact OG-CG 3.38Å; S518-Q521 PolarHBondContact OG-N 2.91Å; S518-Q521 VanDerWaalsContact OG-N 3.08Å; Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.45Å; Q521-L525 VanDerWaalsContact O-CD1 3.29Å; Q521-L525 WeakPolarHBondContact O-CD1 3.46Å; Q521-L525 WeakPolarHBondContact O-CG 3.32Å; Q521-L525 PolarHBondContact O-N 3.48Å; Q521-L547 HydrophobicContact CG-CB 4.29Å; Q521-L547 PolarHBondContact NE2-O 2.85Å; Q521-L549 HydrophobicContact CG-CD1 4.38Å
522T98.2Very high94.9Very high60 Ų6092 Ų9237%0.36843%0.432SS..Hα-helixtrans-66.6-37.9179.9-52.30000112.4S518 R519 Y520 E526S518-T522 WeakPolarHBondContact O-CB 3.44Å; S518-T522 PolarHBondContact O-N 3.26Å; S518-T522 PolarHBondContact O-OG1 3.42Å; R519-T522 PolarHBondContact O-N 3.48Å; Y520-T522 VanDerWaalsContact C-N 3.25Å; Y520-T522 PolarHBondContact O-N 2.97Å; T522-E526 WeakPolarHBondContact O-CB 3.45Å; T522-E526 PolarHBondContact O-N 2.93Å; T522-E526 VanDerWaalsContact O-N 3.07Å
523L98.2Very high96.3Very high102 Ų10283.8 Ų83.853%0.53440%0.403SS..Hα-helixtrans-67.3-47.9177.9-75.6166.9000112.1R519 Y520 E526 K527R519-L523 HydrophobicContact CG-CD1 4.15Å; R519-L523 VanDerWaalsContact O-CG 3.28Å; R519-L523 WeakPolarHBondContact O-CG 3.43Å; R519-L523 PolarHBondContact O-N 2.85Å; Y520-L523 PolarHBondContact O-N 3.07Å; Y520-L523 VanDerWaalsContact O-N 3.13Å; L523-E526 PolarHBondContact O-N 3.37Å; L523-K527 WeakPolarHBondContact O-CB 3.49Å; L523-K527 PolarHBondContact O-N 3.32Å
524E98.3Very high97.2Very high47 Ų4788 Ų8822%0.2240%0.4CS..Hα-helixtrans-67-38178.9-68.6-64.2130.400111.7Y520 E526 K527 E528 L547Y520-E524 HydrophobicContact CD2-CG 4.13Å; Y520-E524 HydrophobicContact CE1-CG 4.48Å; Y520-E524 HydrophobicContact CE2-CG 3.54Å; Y520-E524 PolarHBondContact O-N 3.33Å; E524-E526 PolarHBondContact O-N 2.94Å; E524-K527 VanDerWaalsContact CD-NZ 3.32Å; E524-K527 PolarHBondContact O-N 2.9Å; E524-K527 IonicContact OE1-NZ 3.89Å; E524-K527 PolarHBondContact OE1-NZ 3.38Å; E524-K527 IonicContact OE2-NZ 2.79Å; E524-K527 PolarHBondContact OE2-NZ 2.9Å; E524-E528 VanDerWaalsContact O-CG 3.3Å; E524-E528 WeakPolarHBondContact O-CG 3.4Å; E524-E528 PolarHBondContact O-N 3.49Å; E524-L547 HydrophobicContact CB-CD1 4.11Å; E524-L547 HydrophobicContact CB-CD2 3.71Å; E524-L547 HydrophobicContact CG-CD2 4.04Å
525L98.7Very high97.6Very high0 Ų081.1 Ų81.10%038%0.376CS..Hα-helixtrans-62.1-41.5173.3-73.2165.6000112.7Q521 F529 I543 L547 L549 I554 W557 F558Q521-L525 VanDerWaalsContact O-CB 3.31Å; Q521-L525 WeakPolarHBondContact O-CB 3.45Å; Q521-L525 VanDerWaalsContact O-CD1 3.29Å; Q521-L525 WeakPolarHBondContact O-CD1 3.46Å; Q521-L525 WeakPolarHBondContact O-CG 3.32Å; Q521-L525 PolarHBondContact O-N 3.48Å; L525-F529 WeakPolarHBondContact O-CB 3.34Å; L525-F529 PolarHBondContact O-N 3.43Å; L525-I543 HydrophobicContact CD2-CG2 4.19Å; L525-L547 HydrophobicContact CD1-CD1 4.41Å; L525-L547 HydrophobicContact CD2-CD1 3.98Å; L525-L547 HydrophobicContact CG-CD1 3.72Å; L525-L549 HydrophobicContact CD1-CD1 4.19Å; L525-I554 HydrophobicContact CD2-CD1 3.83Å; L525-W557 VanDerWaalsContact C-CH2 3.47Å; L525-W557 HydrophobicContact CB-CD2 3.87Å; L525-W557 HydrophobicContact CB-CE3 3.99Å; L525-W557 HydrophobicContact CB-CH2 3.81Å; L525-W557 HydrophobicContact CB-CZ2 3.64Å; L525-W557 HydrophobicContact CB-CZ3 3.97Å; L525-W557 HydrophobicContact CD1-CD2 4.01Å; L525-W557 HydrophobicContact CD1-CG 3.85Å; L525-W557 HydrophobicContact CD2-CD2 4.21Å; L525-W557 HydrophobicContact CD2-CE3 4.18Å; L525-W557 HydrophobicContact CD2-CG 4.43Å; L525-W557 HydrophobicContact CG-CD2 4.25Å; L525-W557 WeakPolarHBondContact O-CH2 3.44Å; L525-W557 WeakPolarHBondContact O-CZ3 3.28Å; L525-F558 HydrophobicContact CD2-CE2 4.04Å
526E98.5Very high97.9Very high52 Ų5279 Ų7924%0.24337%0.373CS..Hα-helixtrans-71.7-33.1178.1-167.266.4-149.100112.3T522 L523 E524 F529 Q530 W557 R561T522-E526 WeakPolarHBondContact O-CB 3.45Å; T522-E526 PolarHBondContact O-N 2.93Å; T522-E526 VanDerWaalsContact O-N 3.07Å; L523-E526 PolarHBondContact O-N 3.37Å; E524-E526 PolarHBondContact O-N 2.94Å; E526-F529 PolarHBondContact O-N 2.87Å; E526-Q530 WeakPolarHBondContact O-CG 3.38Å; E526-Q530 PolarHBondContact O-N 3.16Å; E526-Q530 VanDerWaalsContact O-N 3.16Å; E526-Q530 PolarHBondContact O-NE2 2.91Å; E526-W557 HydrophobicContact CB-CH2 4.49Å; E526-R561 VanDerWaalsContact CD-NE 3.26Å; E526-R561 IonicContact OE1-CZ 3.85Å; E526-R561 IonicContact OE1-NE 3.09Å; E526-R561 PolarHBondContact OE1-NE 3.09Å; E526-R561 IonicContact OE1-NH2 3.32Å; E526-R561 PolarHBondContact OE1-NH2 2.78Å; E526-R561 VanDerWaalsContact OE2-CD 3.32Å; E526-R561 WeakPolarHBondContact OE2-CD 3.46Å; E526-R561 IonicContact OE2-CZ 3.52Å; E526-R561 IonicContact OE2-NE 3.5Å; E526-R561 PolarHBondContact OE2-NE 3.08Å
527K98.2Very high98Very high108 Ų10881.5 Ų81.547%0.4737%0.37SS..Hα-helixtrans-63.9-48.8171.3166.2-175.4161.7-159.80111.6L523 E524 F529 Q530 Y531L523-K527 WeakPolarHBondContact O-CB 3.49Å; L523-K527 PolarHBondContact O-N 3.32Å; E524-K527 VanDerWaalsContact CD-NZ 3.32Å; E524-K527 PolarHBondContact O-N 2.9Å; E524-K527 IonicContact OE1-NZ 3.89Å; E524-K527 PolarHBondContact OE1-NZ 3.38Å; E524-K527 IonicContact OE2-NZ 2.79Å; E524-K527 PolarHBondContact OE2-NZ 2.9Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 3.13Å; K527-Q530 PolarHBondContact O-N 3.05Å; K527-Y531 PolarHBondContact O-N 3.18Å; K527-Y531 VanDerWaalsContact O-N 3.15Å
528E98.2Very high98Very high19 Ų1988.4 Ų88.49%0.08940%0.396CS..Hα-helixtrans-63.6-35.6175.7-67.9-69.1132.300111.9E524 Q530 Y531 S532 R539 I543 F558E524-E528 VanDerWaalsContact O-CG 3.3Å; E524-E528 WeakPolarHBondContact O-CG 3.4Å; E524-E528 PolarHBondContact O-N 3.49Å; E528-Q530 VanDerWaalsContact C-N 3.34Å; E528-Q530 PolarHBondContact O-N 3Å; E528-Y531 PolarHBondContact O-N 2.9Å; E528-S532 PolarHBondContact O-N 3.45Å; E528-R539 IonicContact OE1-CZ 2.71Å; E528-R539 IonicContact OE1-NE 3.71Å; E528-R539 IonicContact OE1-NH2 2.78Å; E528-R539 PolarHBondContact OE1-NH2 3.01Å; E528-R539 IonicContact OE2-CZ 2.72Å; E528-R539 VanDerWaalsContact OE2-CZ 3.3Å; E528-R539 IonicContact OE2-NE 3.67Å; E528-R539 PolarHBondContact OE2-NE 3.13Å; E528-R539 IonicContact OE2-NH2 3.51Å; E528-R539 PolarHBondContact OE2-NH2 3.28Å; E528-I543 HydrophobicContact CB-CD1 4.01Å; E528-I543 HydrophobicContact CG-CD1 3.74Å; E528-I543 HydrophobicContact CG-CG1 4.12Å; E528-I543 WeakPolarHBondContact OE2-CD1 3.28Å; E528-F558 HydrophobicContact CB-CZ 4Å
529F98.5Very high98.1Very high2 Ų289.4 Ų89.41%0.00939%0.391CS..Hα-helixtrans-64.5-34.7175.4-171.8-106.3000113.7L525 E526 K527 S532 H533 W557 F558 R561 R562 L565L525-F529 WeakPolarHBondContact O-CB 3.34Å; L525-F529 PolarHBondContact O-N 3.43Å; E526-F529 PolarHBondContact O-N 2.87Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 3.13Å; F529-S532 WeakPolarHBondContact CA-O 3.34Å; F529-S532 CarbonylContact O-C 3.18Å; F529-H533 AromaticContact CD1-CD2 3.81Å; F529-H533 AromaticContact CE1-CD2 3.35Å; F529-H533 WeakPolarHBondContact CE1-CD2 3.34Å; F529-H533 AromaticContact CE1-NE2 3.92Å; F529-H533 HydrophobicContact CE2-CB 3.95Å; F529-H533 AromaticContact CE2-CD2 3.77Å; F529-H533 HydrophobicContact CZ-CB 4.18Å; F529-H533 AromaticContact CZ-CD2 3.32Å; F529-H533 WeakPolarHBondContact CZ-CD2 3.27Å; F529-H533 PolarHBondContact O-CD2 2.77Å; F529-H533 PolarHBondContact O-N 3.41Å; F529-W557 HydrophobicContact CB-CH2 4.02Å; F529-W557 HydrophobicContact CB-CZ3 3.9Å; F529-W557 HydrophobicContact CD2-CZ3 4.29Å; F529-W557 HydrophobicContact CG-CH2 4.46Å; F529-W557 HydrophobicContact CG-CZ3 4.27Å; F529-F558 HydrophobicContact CB-CE1 4.2Å; F529-F558 HydrophobicContact CB-CZ 4.33Å; F529-F558 AromaticContact CD2-CD1 3.88Å; F529-F558 HydrophobicContact CD2-CD1 3.88Å; F529-F558 AromaticContact CD2-CE1 3.83Å; F529-F558 HydrophobicContact CD2-CE1 3.83Å; F529-R561 HydrophobicContact CB-CG 4.3Å; F529-R561 HydrophobicContact CD1-CG 3.43Å; F529-R561 VanDerWaalsContact CD1-CG 3.43Å; F529-R561 HydrophobicContact CD2-CB 4.08Å; F529-R561 HydrophobicContact CD2-CG 3.55Å; F529-R561 HydrophobicContact CE1-CG 3.5Å; F529-R561 HydrophobicContact CE2-CB 4.03Å; F529-R561 HydrophobicContact CE2-CG 3.62Å; F529-R561 HydrophobicContact CG-CB 4.43Å; F529-R561 HydrophobicContact CG-CG 3.46Å; F529-R561 VanDerWaalsContact CG-CG 3.46Å; F529-R561 HydrophobicContact CZ-CB 4.33Å; F529-R561 HydrophobicContact CZ-CG 3.6Å; F529-R562 HydrophobicContact CE2-CG 3.85Å; F529-R562 HydrophobicContact CZ-CG 4.27Å; F529-L565 HydrophobicContact CE1-CB 4.41Å; F529-L565 HydrophobicContact CE1-CD2 4.13Å; F529-L565 HydrophobicContact CZ-CB 4.23Å; F529-L565 HydrophobicContact CZ-CD2 3.94Å
530Q97.3Very high98.1Very high102 Ų10282.4 Ų82.448%0.47737%0.365SS..Hα-helixtrans-73.1-32.3174.9-73.2164.889.900112.2F339 E526 K527 E528F339-Q530 VanDerWaalsContact CZ-OE1 3.31Å; E526-Q530 WeakPolarHBondContact O-CG 3.38Å; E526-Q530 PolarHBondContact O-N 3.16Å; E526-Q530 VanDerWaalsContact O-N 3.16Å; E526-Q530 PolarHBondContact O-NE2 2.91Å; K527-Q530 PolarHBondContact O-N 3.05Å; E528-Q530 VanDerWaalsContact C-N 3.34Å; E528-Q530 PolarHBondContact O-N 3Å
531Y97.5Very high98.1Very high198 Ų19878.9 Ų78.978%0.77635%0.354SS*.Hα-helixtrans-69.8-43172.5179.2-100.8000111.9K527 E528K527-Y531 PolarHBondContact O-N 3.18Å; K527-Y531 VanDerWaalsContact O-N 3.15Å; E528-Y531 PolarHBondContact O-N 2.9Å
532S97.2Very high98.1Very high45 Ų4580.2 Ų80.232%0.31536%0.361SS..  trans-152131.4169177.70000111.8E528 F529 Y534 F558E528-S532 PolarHBondContact O-N 3.45Å; F529-S532 WeakPolarHBondContact CA-O 3.34Å; F529-S532 CarbonylContact O-C 3.18Å; S532-Y534 WeakPolarHBondContact CB-O 3.43Å; S532-Y534 PolarHBondContact O-N 2.99Å; S532-Y534 VanDerWaalsContact O-N 3.13Å; S532-Y534 PolarHBondContact OG-N 3.27Å; S532-Y534 VanDerWaalsContact OG-N 3.15Å; S532-Y534 PolarHBondContact OG-O 3.29Å; S532-F558 WeakPolarHBondContact O-CE1 3.42Å
533H97.7Very high98.1Very high72 Ų7277.6 Ų77.633%0.33334%0.344SS..SBendtrans-67.2-9.9173.4-58.1133.3000113.8F529 R562F529-H533 AromaticContact CD1-CD2 3.81Å; F529-H533 AromaticContact CE1-CD2 3.35Å; F529-H533 WeakPolarHBondContact CE1-CD2 3.34Å; F529-H533 AromaticContact CE1-NE2 3.92Å; F529-H533 HydrophobicContact CE2-CB 3.95Å; F529-H533 AromaticContact CE2-CD2 3.77Å; F529-H533 HydrophobicContact CZ-CB 4.18Å; F529-H533 AromaticContact CZ-CD2 3.32Å; F529-H533 WeakPolarHBondContact CZ-CD2 3.27Å; F529-H533 PolarHBondContact O-CD2 2.77Å; F529-H533 PolarHBondContact O-N 3.41Å; H533-R562 WeakPolarHBondContact O-CD 3.44Å
534Y98.3Very high98.1Very high155 Ų15573.2 Ų73.261%0.60832%0.322SS*.SBendtrans-133136.7-175.6-64.7-99.6000111.2S532S532-Y534 WeakPolarHBondContact CB-O 3.43Å; S532-Y534 PolarHBondContact O-N 2.99Å; S532-Y534 VanDerWaalsContact O-N 3.13Å; S532-Y534 PolarHBondContact OG-N 3.27Å; S532-Y534 VanDerWaalsContact OG-N 3.15Å; S532-Y534 PolarHBondContact OG-O 3.29Å
535L97.7Very high98.1Very high30 Ų3077.7 Ų77.716%0.15734%0.343CS..  trans-108125.5-179.2-70.5-179000113R539 R540 I543 I554 F558L535-R539 HydrophobicContact CD2-CB 4.27Å; L535-R539 HydrophobicContact CD2-CG 3.83Å; L535-R540 HydrophobicContact CD1-CB 4.49Å; L535-I543 HydrophobicContact CD1-CD1 3.89Å; L535-I543 HydrophobicContact CD2-CD1 3.65Å; L535-I543 HydrophobicContact CG-CD1 4.45Å; L535-I554 HydrophobicContact CD1-CG2 3.38Å; L535-F558 HydrophobicContact CD1-CD1 4.14Å; L535-F558 HydrophobicContact CD1-CD2 3.48Å; L535-F558 VanDerWaalsContact CD1-CD2 3.48Å; L535-F558 HydrophobicContact CD1-CE1 4.06Å; L535-F558 HydrophobicContact CD1-CE2 3.43Å; L535-F558 VanDerWaalsContact CD1-CE2 3.43Å; L535-F558 HydrophobicContact CD1-CG 3.87Å; L535-F558 HydrophobicContact CD1-CZ 3.73Å; L535-F558 HydrophobicContact CD2-CE1 3.97Å; L535-F558 HydrophobicContact CD2-CE2 4.43Å; L535-F558 HydrophobicContact CD2-CZ 3.89Å; L535-F558 HydrophobicContact CG-CD1 3.81Å; L535-F558 HydrophobicContact CG-CD2 4.09Å; L535-F558 HydrophobicContact CG-CE1 3.64Å; L535-F558 HydrophobicContact CG-CE2 3.98Å; L535-F558 HydrophobicContact CG-CG 4.04Å; L535-F558 HydrophobicContact CG-CZ 3.75Å
536T98.1Very high98.1Very high96 Ų9682.9 Ų82.959%0.58937%0.371SS*.  trans-62.6158.2164.266.60000111.1R538 R539 R540T536-R538 VanDerWaalsContact C-N 3.34Å; T536-R538 PolarHBondContact O-N 3.01Å; T536-R539 PolarHBondContact O-N 2.76Å; T536-R539 WeakPolarHBondContact OG1-CB 3.5Å; T536-R539 PolarHBondContact OG1-N 2.81Å; T536-R540 WeakPolarHBondContact O-CB 3.4Å; T536-R540 PolarHBondContact O-N 3.4Å
537R98Very high98Very high158 Ų15880.8 Ų80.860%0.59636%0.361SS*.Hα-helixtrans-57-45.8178.4-177.9158.5172.151.9-12.9112R540 I541 E551R537-R540 WeakPolarHBondContact O-CB 3.46Å; R537-R540 PolarHBondContact O-N 2.93Å; R537-I541 HydrophobicContact CG-CD1 4.22Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3.17Å; R537-E551 IonicContact NH1-OE1 2.82Å; R537-E551 PolarHBondContact NH1-OE1 2.79Å; R537-E551 VanDerWaalsContact NH1-OE1 3.14Å; R537-E551 IonicContact NH1-OE2 2.88Å; R537-E551 PolarHBondContact NH1-OE2 3.01Å
538R98Very high98Very high189 Ų18981.1 Ų81.171%0.71338%0.376SS*.Hα-helixtrans-58.1-51.3176-179.4174.7177.4141.73.9112.3T536 R540 I541 E542T536-R538 VanDerWaalsContact C-N 3.34Å; T536-R538 PolarHBondContact O-N 3.01Å; R538-R540 VanDerWaalsContact C-N 3.28Å; R538-R540 PolarHBondContact O-N 3.43Å; R538-I541 WeakPolarHBondContact O-CB 3.13Å; R538-I541 PolarHBondContact O-N 3.5Å; R538-I541 VanDerWaalsContact O-N 3.14Å; R538-E542 WeakPolarHBondContact CG-OE1 3.4Å; R538-E542 IonicContact CZ-OE1 2.71Å; R538-E542 IonicContact NE-OE1 2.63Å; R538-E542 PolarHBondContact NE-OE1 2.76Å; R538-E542 IonicContact NH2-OE1 3.14Å; R538-E542 PolarHBondContact O-N 2.89Å; R538-E542 VanDerWaalsContact O-N 3.1Å
539R98.2Very high98Very high77 Ų7781.1 Ų81.129%0.29138%0.376SS..Hα-helixtrans-66.3-32.3-177-169.758.2-178.5169.7-0.5112.3E528 L535 T536 I541 E542 I543E528-R539 IonicContact OE1-CZ 2.71Å; E528-R539 IonicContact OE1-NE 3.71Å; E528-R539 IonicContact OE1-NH2 2.78Å; E528-R539 PolarHBondContact OE1-NH2 3.01Å; E528-R539 IonicContact OE2-CZ 2.72Å; E528-R539 VanDerWaalsContact OE2-CZ 3.3Å; E528-R539 IonicContact OE2-NE 3.67Å; E528-R539 PolarHBondContact OE2-NE 3.13Å; E528-R539 IonicContact OE2-NH2 3.51Å; E528-R539 PolarHBondContact OE2-NH2 3.28Å; L535-R539 HydrophobicContact CD2-CB 4.27Å; L535-R539 HydrophobicContact CD2-CG 3.83Å; T536-R539 PolarHBondContact O-N 2.76Å; T536-R539 WeakPolarHBondContact OG1-CB 3.5Å; T536-R539 PolarHBondContact OG1-N 2.81Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 2.91Å; R539-E542 WeakPolarHBondContact CD-OE2 3.44Å; R539-E542 IonicContact CZ-OE2 3.79Å; R539-E542 IonicContact NE-OE2 3.18Å; R539-E542 IonicContact NH1-OE2 2.9Å; R539-E542 PolarHBondContact NH1-OE2 3.15Å; R539-E542 PolarHBondContact O-N 3.02Å; R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.35Å; R539-I543 VanDerWaalsContact O-CG1 3.28Å; R539-I543 WeakPolarHBondContact O-CG1 3.36Å; R539-I543 PolarHBondContact O-N 3.05Å
540R98.4Very high98Very high54 Ų5484.7 Ų84.720%0.20440%0.399CS..Hα-helixtrans-59.7-41.9173.2-164.4-169.2-52.61471.6112.3L535 T536 R537 R538 A544 E551 I554L535-R540 HydrophobicContact CD1-CB 4.49Å; T536-R540 WeakPolarHBondContact O-CB 3.4Å; T536-R540 PolarHBondContact O-N 3.4Å; R537-R540 WeakPolarHBondContact O-CB 3.46Å; R537-R540 PolarHBondContact O-N 2.93Å; R538-R540 VanDerWaalsContact C-N 3.28Å; R538-R540 PolarHBondContact O-N 3.43Å; R540-A544 WeakPolarHBondContact O-CB 3.45Å; R540-A544 PolarHBondContact O-N 2.67Å; R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; R540-E551 HydrophobicContact CG-CB 4.34Å; R540-E551 HydrophobicContact CG-CG 4.26Å; R540-E551 IonicContact NH1-OE1 3.19Å; R540-I554 HydrophobicContact CG-CB 4.06Å; R540-I554 HydrophobicContact CG-CG2 3.86Å
541I98.5Very high98.1Very high59 Ų5982.8 Ų82.830%0.30339%0.39SS..Hα-helixtrans-67.3-47.6177.2-65.5162.1000110.3R537 R538 R539 I543 A544 H545 E551R537-I541 HydrophobicContact CG-CD1 4.22Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 3.17Å; R538-I541 WeakPolarHBondContact O-CB 3.13Å; R538-I541 PolarHBondContact O-N 3.5Å; R538-I541 VanDerWaalsContact O-N 3.14Å; R539-I541 VanDerWaalsContact C-N 3.34Å; R539-I541 PolarHBondContact O-N 2.91Å; I541-I543 PolarHBondContact O-N 3.43Å; I541-A544 WeakPolarHBondContact O-CB 3.27Å; I541-A544 PolarHBondContact O-N 3.35Å; I541-H545 PolarHBondContact O-CD2 3.3Å; I541-H545 PolarHBondContact O-N 3.17Å; I541-H545 VanDerWaalsContact O-N 3.08Å; I541-E551 HydrophobicContact CG1-CG 4.08Å
542E98.4Very high98.1Very high60 Ų6082.2 Ų82.228%0.2839%0.386SS..Hα-helixtrans-56.5-47.6177.7-67.8169.7-175.100112.2R538 R539 N546R538-E542 WeakPolarHBondContact CG-OE1 3.4Å; R538-E542 IonicContact CZ-OE1 2.71Å; R538-E542 IonicContact NE-OE1 2.63Å; R538-E542 PolarHBondContact NE-OE1 2.76Å; R538-E542 IonicContact NH2-OE1 3.14Å; R538-E542 PolarHBondContact O-N 2.89Å; R538-E542 VanDerWaalsContact O-N 3.1Å; R539-E542 WeakPolarHBondContact CD-OE2 3.44Å; R539-E542 IonicContact CZ-OE2 3.79Å; R539-E542 IonicContact NE-OE2 3.18Å; R539-E542 IonicContact NH1-OE2 2.9Å; R539-E542 PolarHBondContact NH1-OE2 3.15Å; R539-E542 PolarHBondContact O-N 3.02Å; E542-N546 WeakPolarHBondContact O-CB 3.31Å; E542-N546 PolarHBondContact O-N 3.43Å; E542-N546 VanDerWaalsContact O-N 3.12Å; E542-N546 PolarHBondContact O-ND2 2.92Å
543I98.2Very high98.1Very high5 Ų582.9 Ų82.93%0.02638%0.384CS..Hα-helixtrans-67.4-38.3177.4-60.8164.5000111.4L525 E528 L535 R539 I541 H545 N546 L547 I554L525-I543 HydrophobicContact CD2-CG2 4.19Å; E528-I543 HydrophobicContact CB-CD1 4.01Å; E528-I543 HydrophobicContact CG-CD1 3.74Å; E528-I543 HydrophobicContact CG-CG1 4.12Å; E528-I543 WeakPolarHBondContact OE2-CD1 3.28Å; L535-I543 HydrophobicContact CD1-CD1 3.89Å; L535-I543 HydrophobicContact CD2-CD1 3.65Å; L535-I543 HydrophobicContact CG-CD1 4.45Å; R539-I543 HydrophobicContact CG-CD1 3.88Å; R539-I543 HydrophobicContact CG-CG1 4.35Å; R539-I543 VanDerWaalsContact O-CG1 3.28Å; R539-I543 WeakPolarHBondContact O-CG1 3.36Å; R539-I543 PolarHBondContact O-N 3.05Å; I541-I543 PolarHBondContact O-N 3.43Å; I543-H545 PolarHBondContact O-N 2.88Å; I543-N546 PolarHBondContact O-N 3.11Å; I543-L547 HydrophobicContact CG2-CD1 3.6Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 WeakPolarHBondContact O-CB 3.2Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 2.97Å; I543-I554 HydrophobicContact CG2-CD1 3.81Å; I543-I554 HydrophobicContact CG2-CG1 4.5Å; I543-I554 HydrophobicContact CG2-CG2 4.49Å
544A98.5Very high98.2Very high9 Ų979.4 Ų79.47%0.07437%0.368CS..Hα-helixtrans-57.8-48.6178.600000111.8R540 I541 C548 L549 E551 I554R540-A544 WeakPolarHBondContact O-CB 3.45Å; R540-A544 PolarHBondContact O-N 2.67Å; I541-A544 WeakPolarHBondContact O-CB 3.27Å; I541-A544 PolarHBondContact O-N 3.35Å; A544-C548 PolarHBondContact O-N 2.99Å; A544-L549 CarbonylContact C-O 3.35Å; A544-L549 WeakPolarHBondContact CA-O 3.4Å; A544-L549 WeakPolarHBondContact CB-O 3.36Å; A544-L549 PolarHBondContact O-N 3.07Å; A544-E551 HydrophobicContact CB-CG 4.35Å; A544-I554 HydrophobicContact CB-CG1 4.09Å
545H98.1Very high98.2Very high141 Ų14178.3 Ų78.365%0.65337%0.367SS*.Hα-helixtrans-64-50.4175-69.3-67.8000112.1I541 I543 L547 C548I541-H545 PolarHBondContact O-CD2 3.3Å; I541-H545 PolarHBondContact O-N 3.17Å; I541-H545 VanDerWaalsContact O-N 3.08Å; I543-H545 PolarHBondContact O-N 2.88Å; H545-L547 PolarHBondContact O-N 3.15Å; H545-C548 PolarHBondContact O-N 2.84Å
546N97.8Very high98.2Very high109 Ų10979.1 Ų79.158%0.58337%0.371SS*.Hα-helixtrans-61.1-30.2-175.8-70-11000113.8E542 I543E542-N546 WeakPolarHBondContact O-CB 3.31Å; E542-N546 PolarHBondContact O-N 3.43Å; E542-N546 VanDerWaalsContact O-N 3.12Å; E542-N546 PolarHBondContact O-ND2 2.92Å; I543-N546 PolarHBondContact O-N 3.11Å
547L97.9Very high98.2Very high8 Ų875.9 Ų75.94%0.04235%0.348CS..Hα-helixtrans-103.11.2-177.1-59.8-171000114.1Y520 Q521 E524 L525 I543 H545 L549Y520-L547 HydrophobicContact CD1-CD2 4.47Å; Y520-L547 HydrophobicContact CE1-CD2 3.86Å; Q521-L547 HydrophobicContact CG-CB 4.29Å; Q521-L547 PolarHBondContact NE2-O 2.85Å; E524-L547 HydrophobicContact CB-CD1 4.11Å; E524-L547 HydrophobicContact CB-CD2 3.71Å; E524-L547 HydrophobicContact CG-CD2 4.04Å; L525-L547 HydrophobicContact CD1-CD1 4.41Å; L525-L547 HydrophobicContact CD2-CD1 3.98Å; L525-L547 HydrophobicContact CG-CD1 3.72Å; I543-L547 HydrophobicContact CG2-CD1 3.6Å; I543-L547 HydrophobicContact CG2-CG 4.05Å; I543-L547 WeakPolarHBondContact O-CB 3.2Å; I543-L547 WeakPolarHBondContact O-CG 3.3Å; I543-L547 PolarHBondContact O-N 2.97Å; H545-L547 PolarHBondContact O-N 3.15Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 HydrophobicContact CB-CD1 4.21Å; L547-L549 HydrophobicContact CB-CG 4.26Å; L547-L549 PolarHBondContact O-N 3.47Å
548C98.1Very high98.2Very high116 Ų11668.7 Ų68.778%0.78432%0.321SS*.THydrogen-bonded Turntrans51.648.4-171.7-60.70000112.6A544 H545A544-C548 PolarHBondContact O-N 2.99Å; H545-C548 PolarHBondContact O-N 2.84Å
549L97.8Very high98.2Very high18 Ų1864.8 Ų64.89%0.09431%0.311CS..  trans-127.7147.5178.5-68.1178.7000110.1Y517 Q521 L525 A544 L547 Q553 I554Y517-L549 HydrophobicContact CD1-CD1 3.9Å; Y517-L549 HydrophobicContact CD1-CD2 3.88Å; Y517-L549 HydrophobicContact CE1-CD1 3.93Å; Y517-L549 HydrophobicContact CE1-CD2 3.8Å; Q521-L549 HydrophobicContact CG-CD1 4.38Å; L525-L549 HydrophobicContact CD1-CD1 4.19Å; A544-L549 CarbonylContact C-O 3.35Å; A544-L549 WeakPolarHBondContact CA-O 3.4Å; A544-L549 WeakPolarHBondContact CB-O 3.36Å; A544-L549 PolarHBondContact O-N 3.07Å; L547-L549 VanDerWaalsContact C-N 3.32Å; L547-L549 HydrophobicContact CB-CD1 4.21Å; L547-L549 HydrophobicContact CB-CG 4.26Å; L547-L549 PolarHBondContact O-N 3.47Å; L549-Q553 HydrophobicContact CB-CB 4.36Å; L549-I554 HydrophobicContact CB-CD1 3.88Å; L549-I554 HydrophobicContact CB-CG1 4.43Å; L549-I554 HydrophobicContact CD1-CD1 3.95Å
550T98.3Very high98.3Very high78 Ų7865.4 Ų65.448%0.47932%0.32SS..  trans-68.3149.1175590000111.9R552 Q553 I554T550-R552 PolarHBondContact O-N 3.37Å; T550-Q553 WeakPolarHBondContact O-CA 3.5Å; T550-Q553 WeakPolarHBondContact O-CB 3.24Å; T550-Q553 PolarHBondContact O-N 3.25Å; T550-Q553 WeakPolarHBondContact OG1-CG 3.22Å; T550-Q553 PolarHBondContact OG1-N 3.33Å; T550-Q553 PolarHBondContact OG1-OE1 3.4Å; T550-I554 PolarHBondContact O-N 3.02Å; T550-I554 VanDerWaalsContact O-N 3.07Å
551E98.5Very high98.3Very high61 Ų6164.2 Ų64.229%0.28532%0.315SS..Hα-helixtrans-47.6-37.2170.6-81.8-163.674.400112.1R537 R540 I541 A544 I554 K555R537-E551 IonicContact NH1-OE1 2.82Å; R537-E551 PolarHBondContact NH1-OE1 2.79Å; R537-E551 VanDerWaalsContact NH1-OE1 3.14Å; R537-E551 IonicContact NH1-OE2 2.88Å; R537-E551 PolarHBondContact NH1-OE2 3.01Å; R540-E551 WeakPolarHBondContact CD-OE1 3.48Å; R540-E551 HydrophobicContact CG-CB 4.34Å; R540-E551 HydrophobicContact CG-CG 4.26Å; R540-E551 IonicContact NH1-OE1 3.19Å; I541-E551 HydrophobicContact CG1-CG 4.08Å; A544-E551 HydrophobicContact CB-CG 4.35Å; E551-I554 PolarHBondContact O-N 3.14Å; E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.01Å
552R98Very high98.3Very high186 Ų18666 Ų6670%0.70232%0.318SS*.Hα-helixtrans-64.5-41.9177.2-169.6176.8-172.8-84.9-0.5112.5T550 I554 I556T550-R552 PolarHBondContact O-N 3.37Å; R552-I554 VanDerWaalsContact C-N 3.35Å; R552-I556 HydrophobicContact CG-CD1 3.94Å; R552-I556 WeakPolarHBondContact O-CB 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 3.1Å
553Q98.1Very high98.2Very high59 Ų5967.9 Ų67.928%0.27633%0.328SS..Hα-helixtrans-64.7-39.3173.5-76.4162.3-65.900111.6Y517 L549 T550 W557Y517-Q553 HydrophobicContact CE1-CB 4.46Å; L549-Q553 HydrophobicContact CB-CB 4.36Å; T550-Q553 WeakPolarHBondContact O-CA 3.5Å; T550-Q553 WeakPolarHBondContact O-CB 3.24Å; T550-Q553 PolarHBondContact O-N 3.25Å; T550-Q553 WeakPolarHBondContact OG1-CG 3.22Å; T550-Q553 PolarHBondContact OG1-N 3.33Å; T550-Q553 PolarHBondContact OG1-OE1 3.4Å; Q553-W557 WeakPolarHBondContact O-CB 3.43Å; Q553-W557 PolarHBondContact O-N 3.49Å
554I98.5Very high98.2Very high0 Ų072.7 Ų72.70%035%0.349CS..Hα-helixtrans-63.6-51.5175-55-58.3000110.9L525 L535 R540 I543 A544 L549 T550 E551 R552 I556 W557 F558L525-I554 HydrophobicContact CD2-CD1 3.83Å; L535-I554 HydrophobicContact CD1-CG2 3.38Å; R540-I554 HydrophobicContact CG-CB 4.06Å; R540-I554 HydrophobicContact CG-CG2 3.86Å; I543-I554 HydrophobicContact CG2-CD1 3.81Å; I543-I554 HydrophobicContact CG2-CG1 4.5Å; I543-I554 HydrophobicContact CG2-CG2 4.49Å; A544-I554 HydrophobicContact CB-CG1 4.09Å; L549-I554 HydrophobicContact CB-CD1 3.88Å; L549-I554 HydrophobicContact CB-CG1 4.43Å; L549-I554 HydrophobicContact CD1-CD1 3.95Å; T550-I554 PolarHBondContact O-N 3.02Å; T550-I554 VanDerWaalsContact O-N 3.07Å; E551-I554 PolarHBondContact O-N 3.14Å; R552-I554 VanDerWaalsContact C-N 3.35Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.17Å; I554-W557 PolarHBondContact O-N 3.02Å; I554-W557 VanDerWaalsContact O-N 3.15Å; I554-F558 HydrophobicContact CG2-CD2 4.15Å; I554-F558 HydrophobicContact CG2-CE2 4.38Å; I554-F558 PolarHBondContact O-N 3.41Å
555K98.2Very high98.2Very high132 Ų13274 Ų7457%0.57435%0.354SS*.Hα-helixtrans-54.6-46.6176.8-173.4176.5-179.1178.10111.2E551 Q559E551-K555 WeakPolarHBondContact O-CB 3.33Å; E551-K555 PolarHBondContact O-N 3.01Å; K555-Q559 WeakPolarHBondContact O-CB 3.38Å; K555-Q559 PolarHBondContact O-N 2.9Å
556I98.2Very high98.1Very high46 Ų4674.2 Ų74.224%0.23635%0.354CS..Hα-helixtrans-67.4-39.7178.4-70.6170.9000111.8R552 I554 Q559 N560R552-I556 HydrophobicContact CG-CD1 3.94Å; R552-I556 WeakPolarHBondContact O-CB 3.48Å; R552-I556 WeakPolarHBondContact O-CG1 3.49Å; R552-I556 PolarHBondContact O-N 3.1Å; I554-I556 VanDerWaalsContact C-N 3.32Å; I554-I556 PolarHBondContact O-N 3.17Å; I556-Q559 PolarHBondContact O-N 3.12Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.19Å; I556-N560 PolarHBondContact O-N 3.2Å; I556-N560 PolarHBondContact O-ND2 3.38Å
557W98.6Very high98Very high28 Ų2875.6 Ų75.611%0.10635%0.354CS..Hα-helixtrans-63.2-47177.3-172.6102.6000110.8Y517 L525 E526 F529 Q553 I554 Q559 N560 R561Y517-W557 AromaticContact CD2-CD1 3.84Å; Y517-W557 AromaticContact CE2-CD1 3.61Å; L525-W557 VanDerWaalsContact C-CH2 3.47Å; L525-W557 HydrophobicContact CB-CD2 3.87Å; L525-W557 HydrophobicContact CB-CE3 3.99Å; L525-W557 HydrophobicContact CB-CH2 3.81Å; L525-W557 HydrophobicContact CB-CZ2 3.64Å; L525-W557 HydrophobicContact CB-CZ3 3.97Å; L525-W557 HydrophobicContact CD1-CD2 4.01Å; L525-W557 HydrophobicContact CD1-CG 3.85Å; L525-W557 HydrophobicContact CD2-CD2 4.21Å; L525-W557 HydrophobicContact CD2-CE3 4.18Å; L525-W557 HydrophobicContact CD2-CG 4.43Å; L525-W557 HydrophobicContact CG-CD2 4.25Å; L525-W557 WeakPolarHBondContact O-CH2 3.44Å; L525-W557 WeakPolarHBondContact O-CZ3 3.28Å; E526-W557 HydrophobicContact CB-CH2 4.49Å; F529-W557 HydrophobicContact CB-CH2 4.02Å; F529-W557 HydrophobicContact CB-CZ3 3.9Å; F529-W557 HydrophobicContact CD2-CZ3 4.29Å; F529-W557 HydrophobicContact CG-CH2 4.46Å; F529-W557 HydrophobicContact CG-CZ3 4.27Å; Q553-W557 WeakPolarHBondContact O-CB 3.43Å; Q553-W557 PolarHBondContact O-N 3.49Å; I554-W557 PolarHBondContact O-N 3.02Å; I554-W557 VanDerWaalsContact O-N 3.15Å; W557-Q559 VanDerWaalsContact C-N 3.35Å; W557-Q559 PolarHBondContact O-N 3.34Å; W557-N560 PolarHBondContact O-N 3.08Å; W557-R561 HydrophobicContact CD2-CB 4.42Å; W557-R561 HydrophobicContact CE3-CB 3.92Å; W557-R561 HydrophobicContact CH2-CB 3.77Å; W557-R561 HydrophobicContact CH2-CG 3.52Å; W557-R561 HydrophobicContact CZ2-CB 4.3Å; W557-R561 HydrophobicContact CZ2-CG 4.25Å; W557-R561 HydrophobicContact CZ3-CB 3.56Å; W557-R561 HydrophobicContact CZ3-CG 3.7Å; W557-R561 WeakPolarHBondContact O-CB 3.29Å; W557-R561 PolarHBondContact O-N 3.34Å
558F98.7Very high97.9Very high8 Ų877.9 Ų77.94%0.03537%0.365CS..Hα-helixtrans-63.2-37.8178.2-90.5-102.3000112.8L525 E528 F529 S532 L535 I554 R561 R562L525-F558 HydrophobicContact CD2-CE2 4.04Å; E528-F558 HydrophobicContact CB-CZ 4Å; F529-F558 HydrophobicContact CB-CE1 4.2Å; F529-F558 HydrophobicContact CB-CZ 4.33Å; F529-F558 AromaticContact CD2-CD1 3.88Å; F529-F558 HydrophobicContact CD2-CD1 3.88Å; F529-F558 AromaticContact CD2-CE1 3.83Å; F529-F558 HydrophobicContact CD2-CE1 3.83Å; S532-F558 WeakPolarHBondContact O-CE1 3.42Å; L535-F558 HydrophobicContact CD1-CD1 4.14Å; L535-F558 HydrophobicContact CD1-CD2 3.48Å; L535-F558 VanDerWaalsContact CD1-CD2 3.48Å; L535-F558 HydrophobicContact CD1-CE1 4.06Å; L535-F558 HydrophobicContact CD1-CE2 3.43Å; L535-F558 VanDerWaalsContact CD1-CE2 3.43Å; L535-F558 HydrophobicContact CD1-CG 3.87Å; L535-F558 HydrophobicContact CD1-CZ 3.73Å; L535-F558 HydrophobicContact CD2-CE1 3.97Å; L535-F558 HydrophobicContact CD2-CE2 4.43Å; L535-F558 HydrophobicContact CD2-CZ 3.89Å; L535-F558 HydrophobicContact CG-CD1 3.81Å; L535-F558 HydrophobicContact CG-CD2 4.09Å; L535-F558 HydrophobicContact CG-CE1 3.64Å; L535-F558 HydrophobicContact CG-CE2 3.98Å; L535-F558 HydrophobicContact CG-CG 4.04Å; L535-F558 HydrophobicContact CG-CZ 3.75Å; I554-F558 HydrophobicContact CG2-CD2 4.15Å; I554-F558 HydrophobicContact CG2-CE2 4.38Å; I554-F558 PolarHBondContact O-N 3.41Å; F558-R561 PolarHBondContact O-N 3.44Å; F558-R562 WeakPolarHBondContact O-CG 3.4Å; F558-R562 PolarHBondContact O-N 3.47Å
559Q98.3Very high97.6Very high107 Ų10779.9 Ų79.950%0.536%0.356SS..Hα-helixtrans-62.2-47.2172.4-168-179.921.500111.6K555 I556 W557 R561 R562 M563K555-Q559 WeakPolarHBondContact O-CB 3.38Å; K555-Q559 PolarHBondContact O-N 2.9Å; I556-Q559 PolarHBondContact O-N 3.12Å; W557-Q559 VanDerWaalsContact C-N 3.35Å; W557-Q559 PolarHBondContact O-N 3.34Å; Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.38Å; Q559-R562 PolarHBondContact O-N 2.93Å; Q559-M563 WeakPolarHBondContact O-CG 3.4Å; Q559-M563 PolarHBondContact O-N 2.89Å
560N98.4Very high97.4Very high90 Ų9083.3 Ų83.348%0.48137%0.371SS..Hα-helixtrans-63.2-37.6176.2-78.6-75.8000112.4I556 W557 M563 K564I556-N560 WeakPolarHBondContact CG2-ND2 3.19Å; I556-N560 PolarHBondContact O-N 3.2Å; I556-N560 PolarHBondContact O-ND2 3.38Å; W557-N560 PolarHBondContact O-N 3.08Å; N560-M563 PolarHBondContact O-N 3.18Å; N560-K564 PolarHBondContact O-N 2.86Å
561R98.5Very high97Very high29 Ų2985 Ų8511%0.10937%0.373CS..Hα-helixtrans-71.5-37.4179.8-175.263.4-171.899.8-7.6112.7E526 F529 W557 F558 Q559 K564 L565 E568E526-R561 VanDerWaalsContact CD-NE 3.26Å; E526-R561 IonicContact OE1-CZ 3.85Å; E526-R561 IonicContact OE1-NE 3.09Å; E526-R561 PolarHBondContact OE1-NE 3.09Å; E526-R561 IonicContact OE1-NH2 3.32Å; E526-R561 PolarHBondContact OE1-NH2 2.78Å; E526-R561 VanDerWaalsContact OE2-CD 3.32Å; E526-R561 WeakPolarHBondContact OE2-CD 3.46Å; E526-R561 IonicContact OE2-CZ 3.52Å; E526-R561 IonicContact OE2-NE 3.5Å; E526-R561 PolarHBondContact OE2-NE 3.08Å; F529-R561 HydrophobicContact CB-CG 4.3Å; F529-R561 HydrophobicContact CD1-CG 3.43Å; F529-R561 VanDerWaalsContact CD1-CG 3.43Å; F529-R561 HydrophobicContact CD2-CB 4.08Å; F529-R561 HydrophobicContact CD2-CG 3.55Å; F529-R561 HydrophobicContact CE1-CG 3.5Å; F529-R561 HydrophobicContact CE2-CB 4.03Å; F529-R561 HydrophobicContact CE2-CG 3.62Å; F529-R561 HydrophobicContact CG-CB 4.43Å; F529-R561 HydrophobicContact CG-CG 3.46Å; F529-R561 VanDerWaalsContact CG-CG 3.46Å; F529-R561 HydrophobicContact CZ-CB 4.33Å; F529-R561 HydrophobicContact CZ-CG 3.6Å; W557-R561 HydrophobicContact CD2-CB 4.42Å; W557-R561 HydrophobicContact CE3-CB 3.92Å; W557-R561 HydrophobicContact CH2-CB 3.77Å; W557-R561 HydrophobicContact CH2-CG 3.52Å; W557-R561 HydrophobicContact CZ2-CB 4.3Å; W557-R561 HydrophobicContact CZ2-CG 4.25Å; W557-R561 HydrophobicContact CZ3-CB 3.56Å; W557-R561 HydrophobicContact CZ3-CG 3.7Å; W557-R561 WeakPolarHBondContact O-CB 3.29Å; W557-R561 PolarHBondContact O-N 3.34Å; F558-R561 PolarHBondContact O-N 3.44Å; Q559-R561 VanDerWaalsContact C-N 3.33Å; Q559-R561 PolarHBondContact O-N 3.38Å; R561-K564 WeakPolarHBondContact O-CB 3.35Å; R561-K564 PolarHBondContact O-N 3.25Å; R561-L565 PolarHBondContact O-N 3.37Å; R561-E568 IonicContact CZ-OE2 2.67Å; R561-E568 IonicContact NH1-OE2 3.51Å; R561-E568 PolarHBondContact NH1-OE2 3.38Å; R561-E568 IonicContact NH2-OE2 3.17Å
562R98.4Very high96.6Very high97 Ų9786.8 Ų86.837%0.36638%0.384SS..Hα-helixtrans-60.2-43.6167.3-74.5-171-71.6150.8-4.5111.6F529 H533 F558 Q559 K564 L565 K566F529-R562 HydrophobicContact CE2-CG 3.85Å; F529-R562 HydrophobicContact CZ-CG 4.27Å; H533-R562 WeakPolarHBondContact O-CD 3.44Å; F558-R562 WeakPolarHBondContact O-CG 3.4Å; F558-R562 PolarHBondContact O-N 3.47Å; Q559-R562 PolarHBondContact O-N 2.93Å; R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.33Å; R562-L565 PolarHBondContact O-N 2.79Å; R562-K566 PolarHBondContact O-N 3.3Å
563M98.2Very high96.1Very high99 Ų9984.2 Ų84.249%0.48838%0.378SS..Hα-helixtrans-65.8-30.5175.4-68.8-57.9-70.300113.4Q559 N560 K566 K567Q559-M563 WeakPolarHBondContact O-CG 3.4Å; Q559-M563 PolarHBondContact O-N 2.89Å; N560-M563 PolarHBondContact O-N 3.18Å; M563-K566 HydrophobicContact SD-CD 4.47Å; M563-K567 WeakPolarHBondContact O-CG 3.37Å; M563-K567 PolarHBondContact O-N 3.35Å
564K97.6Very high95.6Very high105 Ų10586.1 Ų86.146%0.45739%0.387SS..Hα-helixtrans-66.9-48169.5-174.3172.5177.7-79.30111N560 R561 R562 K566 K567 E568N560-K564 PolarHBondContact O-N 2.86Å; R561-K564 WeakPolarHBondContact O-CB 3.35Å; R561-K564 PolarHBondContact O-N 3.25Å; R562-K564 VanDerWaalsContact C-N 3.31Å; R562-K564 PolarHBondContact O-N 3.33Å; K564-K566 VanDerWaalsContact C-N 3.32Å; K564-K566 PolarHBondContact O-N 2.99Å; K564-K567 PolarHBondContact O-N 3.18Å; K564-K567 VanDerWaalsContact O-N 3.08Å; K564-E568 WeakPolarHBondContact CE-OE1 3.44Å; K564-E568 HydrophobicContact CG-CG 4.37Å; K564-E568 IonicContact NZ-OE1 3.8Å; K564-E568 PolarHBondContact NZ-OE1 3.2Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.32Å; K564-E568 PolarHBondContact O-N 2.89Å
565L97.4Very high95Very high36 Ų3691.6 Ų91.619%0.18842%0.416CS..Hα-helixtrans-59.1-39.6177-178.363.7000112.8F529 R561 R562 K567 E568 R569F529-L565 HydrophobicContact CE1-CB 4.41Å; F529-L565 HydrophobicContact CE1-CD2 4.13Å; F529-L565 HydrophobicContact CZ-CB 4.23Å; F529-L565 HydrophobicContact CZ-CD2 3.94Å; R561-L565 PolarHBondContact O-N 3.37Å; R562-L565 PolarHBondContact O-N 2.79Å; L565-K567 VanDerWaalsContact C-N 3.34Å; L565-K567 PolarHBondContact O-N 3.14Å; L565-E568 WeakPolarHBondContact CA-OE2 3.22Å; L565-E568 PolarHBondContact N-OE2 3.41Å; L565-E568 PolarHBondContact O-N 2.74Å; L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.29Å
566K96.7Very high94.3Very high147 Ų14789.8 Ų89.864%0.63941%0.412SS*.Hα-helixtrans-58.7-43.5173.8179.7170.2177.4168.70111.9R562 M563 K564 Q570R562-K566 PolarHBondContact O-N 3.3Å; M563-K566 HydrophobicContact SD-CD 4.47Å; K564-K566 VanDerWaalsContact C-N 3.32Å; K564-K566 PolarHBondContact O-N 2.99Å; K566-Q570 WeakPolarHBondContact O-CB 3.34Å; K566-Q570 PolarHBondContact O-N 3.46Å
567K95.7Very high93.5Very high137 Ų13791.9 Ų91.960%0.59642%0.424SS*.Hα-helixtrans-70.2-41.5176.8-68.6-180179.4-169.50112.4M563 K564 L565 R569 Q570 Q571M563-K567 WeakPolarHBondContact O-CG 3.37Å; M563-K567 PolarHBondContact O-N 3.35Å; K564-K567 PolarHBondContact O-N 3.18Å; K564-K567 VanDerWaalsContact O-N 3.08Å; L565-K567 VanDerWaalsContact C-N 3.34Å; L565-K567 PolarHBondContact O-N 3.14Å; K567-R569 PolarHBondContact O-N 3.04Å; K567-Q570 PolarHBondContact O-N 3Å; K567-Q571 WeakPolarHBondContact O-CG 3.46Å; K567-Q571 PolarHBondContact O-N 3.24Å
568E95.2Very high92.5Very high56 Ų5695.1 Ų95.126%0.26244%0.44SS..Hα-helixtrans-60.1-44.9177.2-70.3167148.300111.3R561 K564 L565 I572R561-E568 IonicContact CZ-OE2 2.67Å; R561-E568 IonicContact NH1-OE2 3.51Å; R561-E568 PolarHBondContact NH1-OE2 3.38Å; R561-E568 IonicContact NH2-OE2 3.17Å; K564-E568 WeakPolarHBondContact CE-OE1 3.44Å; K564-E568 HydrophobicContact CG-CG 4.37Å; K564-E568 IonicContact NZ-OE1 3.8Å; K564-E568 PolarHBondContact NZ-OE1 3.2Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.32Å; K564-E568 PolarHBondContact O-N 2.89Å; L565-E568 WeakPolarHBondContact CA-OE2 3.22Å; L565-E568 PolarHBondContact N-OE2 3.41Å; L565-E568 PolarHBondContact O-N 2.74Å; E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.19Å
569R93.3Very high91.4Very high159 Ų15998.6 Ų98.660%0.646%0.462SS*.Hα-helixtrans-64.2-38.2174.9-73.6-179.9173.8-163.4-3.3113.1L565 K567 I572 K573L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.48Å; L565-R569 PolarHBondContact O-N 3.29Å; K567-R569 PolarHBondContact O-N 3.04Å; R569-I572 PolarHBondContact O-N 2.81Å; R569-K573 PolarHBondContact O-N 3.2Å
570Q92.2Very high90.3Very high89 Ų8997.4 Ų97.442%0.41646%0.462SS..Hα-helixtrans-68.1-42.9179.2179.856.528.300112K566 K567 I572 K573 E574K566-Q570 WeakPolarHBondContact O-CB 3.34Å; K566-Q570 PolarHBondContact O-N 3.46Å; K567-Q570 PolarHBondContact O-N 3Å; Q570-I572 VanDerWaalsContact C-N 3.27Å; Q570-I572 PolarHBondContact O-N 3.14Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 2.78Å; Q570-K573 VanDerWaalsContact O-N 3.11Å; Q570-E574 VanDerWaalsContact CG-OE1 3.29Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.45Å; Q570-E574 PolarHBondContact NE2-OE1 3.08Å; Q570-E574 WeakPolarHBondContact O-CG 3.38Å; Q570-E574 PolarHBondContact O-N 2.68Å; Q570-E574 VanDerWaalsContact O-N 3.07Å
571Q90.8Very high88.8Confident113 Ų113101.3 Ų101.353%0.52847%0.47SS..Hα-helixtrans-61.6-33.3175.9-72.4173.1-10.400112.8K567 L575K567-Q571 WeakPolarHBondContact O-CG 3.46Å; K567-Q571 PolarHBondContact O-N 3.24Å; Q571-L575 VanDerWaalsContact O-CG 3.28Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 3.31Å; Q571-L575 VanDerWaalsContact O-N 3.09Å
572I90.1Very high86.9Confident100 Ų100106.3 Ų106.351%0.51350%0.495SS..Hα-helixtrans-68.5-37.8175.2-67.2164.3000111.3E568 R569 Q570 N576E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.19Å; R569-I572 PolarHBondContact O-N 2.81Å; Q570-I572 VanDerWaalsContact C-N 3.27Å; Q570-I572 PolarHBondContact O-N 3.14Å; I572-N576 WeakPolarHBondContact O-CB 3.44Å; I572-N576 PolarHBondContact O-N 3.34Å; I572-N576 VanDerWaalsContact O-N 3.11Å; I572-N576 PolarHBondContact O-OD1 3.03Å
573K87.8Confident85.1Confident131 Ų131106.6 Ų106.657%0.5751%0.507SS*.Hα-helixtrans-61.5-52.3173-69.5-174.9172.3-168.10110.9R569 Q570 L575 N576 D577R569-K573 PolarHBondContact O-N 3.2Å; Q570-K573 WeakPolarHBondContact O-CB 3.41Å; Q570-K573 PolarHBondContact O-N 2.78Å; Q570-K573 VanDerWaalsContact O-N 3.11Å; K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 3.38Å; K573-N576 PolarHBondContact O-N 3.3Å; K573-D577 VanDerWaalsContact O-CG 3.28Å; K573-D577 PolarHBondContact O-N 3.19Å
574E86.6Confident83.3Confident100 Ų100106.9 Ų106.947%0.46752%0.515SS..Hα-helixtrans-56.6-39.7-178.9-70.3161-175.200112.6Q570 E578Q570-E574 VanDerWaalsContact CG-OE1 3.29Å; Q570-E574 WeakPolarHBondContact CG-OE1 3.45Å; Q570-E574 PolarHBondContact NE2-OE1 3.08Å; Q570-E574 WeakPolarHBondContact O-CG 3.38Å; Q570-E574 PolarHBondContact O-N 2.68Å; Q570-E574 VanDerWaalsContact O-N 3.07Å; E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.28Å; E574-E578 VanDerWaalsContact O-N 3.07Å
575L86.3Confident81.4Confident114 Ų114107.3 Ų107.360%0.59753%0.526SS*.Hα-helixtrans-69.8-35.5175.1-71.1169.4000113.3Q571 K573 T579Q571-L575 VanDerWaalsContact O-CG 3.28Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 3.31Å; Q571-L575 VanDerWaalsContact O-N 3.09Å; K573-L575 VanDerWaalsContact C-N 3.28Å; K573-L575 PolarHBondContact O-N 3.38Å; L575-T579 WeakPolarHBondContact O-CB 3.35Å; L575-T579 PolarHBondContact O-N 2.76Å; L575-T579 PolarHBondContact O-OG1 2.91Å
576N83.9Confident79.4Confident94 Ų94112.1 Ų112.150%0.50355%0.552SS.*Hα-helixtrans-72.5-38176.4-70.5-6.7000111.6I572 K573 T579 T580I572-N576 WeakPolarHBondContact O-CB 3.44Å; I572-N576 PolarHBondContact O-N 3.34Å; I572-N576 VanDerWaalsContact O-N 3.11Å; I572-N576 PolarHBondContact O-OD1 3.03Å; K573-N576 PolarHBondContact O-N 3.3Å; N576-T579 PolarHBondContact O-N 2.89Å; N576-T580 WeakPolarHBondContact O-CB 3.29Å; N576-T580 PolarHBondContact O-N 3.11Å; N576-T580 PolarHBondContact O-OG1 2.96Å
577D81.6Confident77.3Confident90 Ų90109.7 Ų109.748%0.48155%0.551SS.*Hα-helixtrans-63.8-43.3175.5-66.4-32000110.7K573 T580 R581K573-D577 VanDerWaalsContact O-CG 3.28Å; K573-D577 PolarHBondContact O-N 3.19Å; D577-T580 PolarHBondContact O-N 3.15Å; D577-R581 WeakPolarHBondContact O-CD 3.44Å; D577-R581 VanDerWaalsContact O-CG 3.26Å; D577-R581 WeakPolarHBondContact O-CG 3.46Å; D577-R581 PolarHBondContact O-N 3.35Å
578E77.4Confident75.2Confident96 Ų96109.4 Ų109.445%0.44956%0.561SS.*Hα-helixtrans-62.6-45.3173.8-174.959.4-153.300111.8E574 T580 R581 Q582E574-E578 WeakPolarHBondContact O-CB 3.43Å; E574-E578 PolarHBondContact O-N 3.28Å; E574-E578 VanDerWaalsContact O-N 3.07Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.09Å; E578-R581 PolarHBondContact O-N 3.11Å; E578-Q582 WeakPolarHBondContact O-CG 3.37Å; E578-Q582 PolarHBondContact O-N 2.93Å; E578-Q582 PolarHBondContact OE1-NE2 2.83Å
579T75.9Confident73Confident81 Ų81113.7 Ų113.750%0.49758%0.581SS.*Hα-helixtrans-61.9-36.9176.7-55.30000111.9L575 N576 Q582 T583L575-T579 WeakPolarHBondContact O-CB 3.35Å; L575-T579 PolarHBondContact O-N 2.76Å; L575-T579 PolarHBondContact O-OG1 2.91Å; N576-T579 PolarHBondContact O-N 2.89Å; T579-Q582 PolarHBondContact O-N 3.34Å; T579-T583 WeakPolarHBondContact O-CG2 3.39Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 VanDerWaalsContact O-N 3.08Å; T579-T583 PolarHBondContact O-OG1 2.99Å
580T73.2Confident70.7Confident82 Ų82113.9 Ų113.950%0.50359%0.588SS.*Hα-helixtrans-70.8-36.1177.1-53.70000111.8N576 D577 E578 T583 T584N576-T580 WeakPolarHBondContact O-CB 3.29Å; N576-T580 PolarHBondContact O-N 3.11Å; N576-T580 PolarHBondContact O-OG1 2.96Å; D577-T580 PolarHBondContact O-N 3.15Å; E578-T580 VanDerWaalsContact C-N 3.28Å; E578-T580 PolarHBondContact O-N 3.09Å; T580-T583 PolarHBondContact O-OG1 3.5Å; T580-T584 WeakPolarHBondContact O-CG2 3.26Å; T580-T584 PolarHBondContact O-N 2.78Å; T580-T584 PolarHBondContact O-OG1 2.83Å
581R67Low68.4Low173 Ų173115.7 Ų115.765%0.65361%0.61SS**Hα-helixtrans-67.4-38.3173.6-71.8163.9-174.9-92.9-1.4112.2D577 E578 T584D577-R581 WeakPolarHBondContact O-CD 3.44Å; D577-R581 VanDerWaalsContact O-CG 3.26Å; D577-R581 WeakPolarHBondContact O-CG 3.46Å; D577-R581 PolarHBondContact O-N 3.35Å; E578-R581 PolarHBondContact O-N 3.11Å; R581-T584 PolarHBondContact O-OG1 3.49Å
582Q59.8Low66.2Low134 Ų134121.7 Ų121.763%0.62663%0.628SS**Hα-helixtrans-74-33178.6-67.7-178.618.200112.7E578 T579 T584E578-Q582 WeakPolarHBondContact O-CG 3.37Å; E578-Q582 PolarHBondContact O-N 2.93Å; E578-Q582 PolarHBondContact OE1-NE2 2.83Å; T579-Q582 PolarHBondContact O-N 3.34Å; Q582-T584 VanDerWaalsContact C-N 3.31Å; Q582-T584 PolarHBondContact O-N 3.06Å
583T61.2Low63.9Low102 Ų102128.1 Ų128.163%0.62665%0.646SS**THydrogen-bonded Turntrans-82.91.2-179.647.70000115.1T579 T580T579-T583 WeakPolarHBondContact O-CG2 3.39Å; T579-T583 PolarHBondContact O-N 3.41Å; T579-T583 VanDerWaalsContact O-N 3.08Å; T579-T583 PolarHBondContact O-OG1 2.99Å; T580-T583 PolarHBondContact O-OG1 3.5Å
584T59.9Low62Low105 Ų105130.6 Ų130.664%0.64466%0.66SS**THydrogen-bonded Turntrans-1108.8179.444.10000114.2T580 R581 Q582T580-T584 WeakPolarHBondContact O-CG2 3.26Å; T580-T584 PolarHBondContact O-N 2.78Å; T580-T584 PolarHBondContact O-OG1 2.83Å; R581-T584 PolarHBondContact O-OG1 3.49Å; Q582-T584 VanDerWaalsContact C-N 3.31Å; Q582-T584 PolarHBondContact O-N 3.06Å
585V57.8Low59.9Low114 Ų114135 Ų13569%0.69168%0.683SS**  trans-125.640.4-178.5-1580000112.5P587V585-P587 VanDerWaalsContact O-CD 3.28Å; V585-P587 WeakPolarHBondContact O-CD 3.38Å
586D54.7Low57.6Low138 Ų138133.6 Ų133.674%0.73870%0.695SS**  trans-90.1108.5165-109-34.3000109.9V588D586-V588 VanDerWaalsContact C-N 3.31Å; D586-V588 HydrophobicContact CB-CG2 4.32Å; D586-V588 PolarHBondContact O-N 2.88Å
587P53.7Low55.7Low95 Ų95134.9 Ų134.962%0.61771%0.712SS**  trans-78.579.9178.332.5-35.1000110.5V585 H589V585-P587 VanDerWaalsContact O-CD 3.28Å; V585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-H589 PolarHBondContact O-N 3.08Å
588V51.6Low53.9Low132 Ų132135.8 Ų135.880%0.873%0.725SS**THydrogen-bonded Turntrans-68.865.6177.9-169.10000111.5D586D586-V588 VanDerWaalsContact C-N 3.31Å; D586-V588 HydrophobicContact CB-CG2 4.32Å; D586-V588 PolarHBondContact O-N 2.88Å
589H48.9Very low52.3Low146 Ų146139.9 Ų139.968%0.67674%0.744SS**THydrogen-bonded Turntrans-152.35.4-178.2-137.7-76.4000115.9P587P587-H589 PolarHBondContact O-N 3.08Å
590H44.9Very low50.6Low163 Ų163145.1 Ų145.176%0.75576%0.763SS**SBendtrans-124.250.4-172.8-70.797.8000114.9
591S43.3Very low49Very low126 Ų126152.1 Ų152.188%0.88178%0.781SS**SBendtrans-157.213.9165.1-88.60000116.8
592R43.9Very low47.8Very low240 Ų240151.6 Ų151.691%0.90678%0.784SS**  trans-140.653.4179.3-146.8174.3-153.2-133.91.4116.3
593R43.2Very low46.9Very low234 Ų234154.1 Ų154.188%0.88380%0.796SS**  trans-138.453.8160.1-68.2-163.5-174.6-1544112.6
594Q46.6Very low46Very low184 Ų184157.4 Ų157.486%0.8681%0.806SS**  trans-102.2157.2146.5-69.3-173.53.100107.8
595M43.4Very low45.3Very low193 Ų193160.5 Ų160.595%0.95182%0.815SS**SBendtrans6590.1-163.2-51.7-54.8-156.200113.3
596G38.3Very low44.5Very low84 Ų84162.5 Ų162.587%0.86682%0.822SS**  trans-176.335-178.400000115.5
597S43.1Very low43.8Very low121 Ų121160.3 Ų160.385%0.84682%0.818SS**  trans-149.256-176.7-175.80000112.9
598S44.1Very low43.3Very low109 Ų109162.5 Ų162.576%0.76282%0.824SS**  trans-155.742.6172.4-170.10000114.1
599H44Very low42.9Very low181 Ų181163.1 Ų163.184%0.83882%0.823SS**  trans-137.585.4168.8-80.4-76.9000111.4
600Q40.6Very low42.6Very low191 Ų191162.2 Ų162.289%0.89382%0.823SS**SBendtrans-12910.2164.7-83.7-140.3-52.400113.1
601Y38.2Very low42.4Very low229 Ų229161.6 Ų161.690%0.89883%0.825SS**SBendtrans-138.248.9-177.5-92.3-88.3000111.8
602F41.7Very low42.2Very low162 Ų162159.9 Ų159.971%0.71181%0.813SS**  trans-157.242.1160.4-138.5-89.7000113.9
603E41.6Very low41.8Very low187 Ų187156.7 Ų156.787%0.87480%0.803SS**  trans-85.5156.7145-73-171.212700107.9
604M43.2Very low41.5Very low172 Ų172154.1 Ų154.185%0.84779%0.794SS**SBendtrans78.8134.8-162.8-48.1178.7-175.400114.2
605M45Very low40.9Very low169 Ų169150 Ų15083%0.83379%0.786SS**  trans6671.2176.2-49.7-160.2-163.800118
606N39.6Very low40.5Very low157 Ų157146.8 Ų146.884%0.8478%0.777SS**  -151.3137.9108.5-148.8-4000112
607S41.1Very low40.4Very low91 Ų91148.8 Ų148.864%0.63677%0.773SS**  trans-146.4161.8176-62.70000108.9
608N43.8Very low40.2Very low142 Ų142148.4 Ų148.476%0.75977%0.77SS**  trans77.2104.6173.3-42.8-34.2000115.7
609N42.5Very low39.7Very low145 Ų145150.9 Ų150.978%0.77578%0.775SS**  158.7140.2125.7-82.1-27.6000110.8
610N42.3Very low39.5Very low126 Ų126148.3 Ų148.367%0.67477%0.774SS**  cis-166.3162.4-25.8-128.1-8.9000108.8
611N40Very low39.4Very low150 Ų150144 Ų14480%0.80277%0.765SS**  trans66.1159.5168-62.6-16.2000116.2
612S39.6Very low39.2Very low90 Ų90140.5 Ų140.563%0.62976%0.76SS**  cis171.2143.5-17.4176.30000105.6
613Y36.5Very low39.2Very low174 Ų174139.3 Ų139.368%0.68276%0.761SS**  cis-161.41563.2-117.4-174.9000109
614Y37.1Very low38.9Very low179 Ų179136.8 Ų136.870%0.70275%0.753SS**  trans59.8137.7163.1-54.9-49000118.8
615S32.4Very low38.8Very low99 Ų99134.9 Ų134.969%0.69276%0.757SS**  cis76.6135.241.2-50.80000112.6
616T36.4Very low38.6Very low125 Ų125135.4 Ų135.477%0.76775%0.754SS**  cis-157.5163.710.5-90000113.5
617T35Very low38.6Very low125 Ų125134.2 Ų134.277%0.76775%0.748SS**  trans-26.8143.4163.652.70000120.1
618S39.9Very low38.5Very low114 Ų114137.2 Ų137.280%0.79776%0.757SS**  174.9138.3115.858.30000114.2
619N32.4Very low38.2Very low161 Ų161136.9 Ų136.986%0.86176%0.764SS**  trans-83.1159.6159.2-72-25.9000110.2
620P41.1Very low37.9Very low127 Ų127137.8 Ų137.883%0.82576%0.764SS**  -137.9171.210938.9-28.9000114.7
621S37.1Very low37.7Very low99 Ų99140.2 Ų140.269%0.69278%0.776SS**  trans-97.7-171174.252.20000111.9
622I35.8Very low37.5Very low156 Ų156138.7 Ų138.780%0.877%0.767SS**  trans76.1134.7170.7-59.8166.6000113.5
623L41.4Very low37.4Very low138 Ų138140.7 Ų140.772%0.72378%0.78SS**  cis-163.4169.7-22.9-157.575.8000107.8
624D35.9Very low37.8Very low134 Ų134140.7 Ų140.772%0.71778%0.784SS**  trans4.5119.3162-56-29.1000119.9
625S40Very low38.4Very low131 Ų131138.5 Ų138.592%0.91679%0.791SS**  -167.8165.3120.9-85.30000111.7
626K40.1Very low38.5Very low181 Ų181141.9 Ų141.979%0.78780%0.801SS**  trans-118.1167-169.5-144-177.4-178.8178.30111.6
627D40.2Very low38.6Very low132 Ų132141 Ų14171%0.70680%0.8SS**  trans75.6155.3162.1-50.5-38.4000118.3
628N39.6Very low38.5Very low154 Ų154142.6 Ų142.682%0.82480%0.802SS**  trans59.399.4177-63.7-16.6000118.7
629C36.3Very low38.2Very low134 Ų134144.9 Ų144.991%0.90580%0.8SS**  -172.2130.799.6-99.50000111.9
630Q35.8Very low38.7Very low165 Ų165145.7 Ų145.777%0.77180%0.796SS**  trans-87.9124.1-178176.5-178.1-3.900111.5D632Q630-D632 PolarHBondContact NE2-OD2 3.04Å; Q630-D632 VanDerWaalsContact NE2-OD2 3.16Å
631L39.8Very low38.4Very low176 Ų176148.9 Ų148.992%0.92180%0.797SS**  trans-139.4113157.6-76.2179.3000110
632D35.8Very low38.6Very low118 Ų118150.3 Ų150.363%0.63181%0.807SS**  trans-66.6138.9172.3-83.6-92.6000112.1Q630Q630-D632 PolarHBondContact NE2-OD2 3.04Å; Q630-D632 VanDerWaalsContact NE2-OD2 3.16Å
633C36.1Very low38.7Very low132 Ų132146.1 Ų146.189%0.89280%0.802SS**  trans-166.2142.1130.5-112.70000112.1
634K46.5Very low38.7Very low175 Ų175148.1 Ų148.176%0.76181%0.813SS**PPolyproline II helixtrans-88.9147.7-175.6-64.5163.4-176.8168.20111.1L636K634-L636 PolarHBondContact O-N 3.42Å
635P48.9Very low38.7Very low133 Ų133148.4 Ų148.486%0.86481%0.813SS**PPolyproline II helixtrans-63.5121.916427.6-32.6000109.6
636L35Very low38.8Very low170 Ų170148.3 Ų148.389%0.8981%0.809SS**PPolyproline II helixtrans-86.7140.1178.9-82.1160000111.5K634K634-L636 PolarHBondContact O-N 3.42Å
637S37Very low38.7Very low106 Ų106148.1 Ų148.174%0.74181%0.808SS**PPolyproline II helixtrans-77.6169172.5-56.60000112.9
638L33.8Very low38.6Very low158 Ų158149.4 Ų149.483%0.82781%0.814SS**  trans77.9151.9167.1-69.8152.5000118
639H34.1Very low38.5Very low163 Ų163149.1 Ų149.176%0.75581%0.812SS**  trans80.5138-172.4-55.892.8000114.5
640K41.6Very low38.5Very low178 Ų178146.3 Ų146.377%0.77479%0.794SS**  cis-135.4145.5-3.5-92.3125.1-172.9175.50107.3
641K36.4Very low38.6Very low193 Ų193145.5 Ų145.584%0.83980%0.795SS**  79135.259.3-153.5179.6-171.8179.70112.3
642S40.2Very low38.5Very low129 Ų129143.9 Ų143.990%0.90279%0.787SS**  trans75.1145.4-171.977.10000116.2
643G38.7Very low38.6Very low68 Ų68145.2 Ų145.270%0.70179%0.793SS**  cis168.1169.3-13.100000116.5
644L40Very low38.7Very low180 Ų180146.4 Ų146.494%0.94279%0.785SS**  trans80157166.8-53.3179.1000118.9
645I37.3Very low38.3Very low140 Ų140141.6 Ų141.672%0.71877%0.774SS**  trans-134.9151.7-166.5-44.8171.1000106.8K647I645-K647 HydrophobicContact CG2-CG 4.3Å
646P41.4Very low37.9Very low130 Ų130142.3 Ų142.384%0.84477%0.77SS**  -122141129.8-3.924.5000113.8
647K39.1Very low38.4Very low177 Ų177139.5 Ų139.577%0.7776%0.762SS**  trans-103.8-170.1160.4-74.5-175.7173.3-177.50108.2I645I645-K647 HydrophobicContact CG2-CG 4.3Å
648L36.4Very low38.6Very low158 Ų158141.8 Ų141.883%0.82777%0.765SS**  trans79141.4171.6-41.1-177.9000112.1
649L37.9Very low39Very low149 Ų149141 Ų14178%0.7876%0.76SS**  cis-153.3175.1-5.5-141.571.7000106
650S37.4Very low39.2Very low75 Ų75139.2 Ų139.252%0.52476%0.76SS.*  cis-164.7175.38.5-160.70000111.7
651N37.7Very low39.1Very low148 Ų148134.8 Ų134.879%0.79177%0.766SS**  trans78.1149.6154.4-49-29.6000120.1
652N36Very low39.2Very low141 Ų141128.9 Ų128.975%0.75476%0.759SS**  cis-170.1175-43.2-1626.7000108.2
653I38.6Very low39.1Very low146 Ų146131.9 Ų131.975%0.74976%0.756SS**  trans74.2125.2166.4-56.1166.2000113.3
654Q37.9Very low39.3Very low158 Ų158135.7 Ų135.774%0.73876%0.76SS**  cis-155.5176.3-7.2-178.755.42800109.4
655S39.5Very low39.6Very low74 Ų74132.3 Ų132.352%0.51775%0.749SS.*  trans-53.9169.1-176.662.10000116.2
656D39.4Very low39.5Very low148 Ų148131 Ų13179%0.79175%0.752SS**  cis-141.9156.438.3-59.4-49.2000116.2
657P46.7Very low39.7Very low111 Ų111129.9 Ų129.972%0.72175%0.754SS**  trans-113.3159.6172.940.2-31.6000114.3
658I40.4Very low39.5Very low154 Ų154128.7 Ų128.779%0.7976%0.756SS**  trans-165.4124.2154.6-112157.2000113.5
659I41.3Very low39.8Very low142 Ų142133 Ų13373%0.72876%0.761SS**  trans48.8134.5136.6-61.5175.7000120.2
660T39.5Very low39.7Very low124 Ų124129.3 Ų129.376%0.76176%0.758SS**  cis-169146.9-12.231.50000110.3
661G39.3Very low39.9Very low86 Ų86134.3 Ų134.389%0.88778%0.779SS**  trans66.4146.314600000120.4
662G39.1Very low39.8Very low69 Ų69136.7 Ų136.771%0.71179%0.785SS**  cis171.5177.5-700000113.9
663F38Very low40Very low191 Ų191135.9 Ų135.984%0.83879%0.79SS**  trans73.790.5161.8-74.7-90.9000122.8
664L43Very low39.8Very low149 Ų149133 Ų13378%0.7879%0.789SS**  71.5157.1114.7-69.9-166.5000121.7
665P45Very low40.1Very low108 Ų108132.5 Ų132.570%0.70180%0.796SS**  trans-142.3-177.2-131.646.8-29.4000117.7
666S36.3Very low40Very low113 Ų113133.6 Ų133.679%0.7980%0.803SS**  trans58.8119.4142.7-162.90000120.3
667A44.6Very low40Very low106 Ų106137.5 Ų137.588%0.87681%0.808SS**  trans-136.4129.1155.900000109.6
668N36.4Very low40.1Very low153 Ų153138 Ų13882%0.81881%0.812SS**  trans-125.3120-175.1-163.53.9000109.7
669R41Very low40Very low249 Ų249133.8 Ų133.894%0.9481%0.806SS**  trans-147.5117.7170-73.5-166.2179.4-168.40.6109.6
670G36Very low40.3Very low70 Ų70132.6 Ų132.672%0.72281%0.81SS**  trans-100160.116600000111.3
671L42.5Very low40.5Very low181 Ų181135.5 Ų135.595%0.94882%0.816SS**  trans-131.2143159.2-78.1176.7000108.7
672Q35.9Very low40.5Very low198 Ų198135.3 Ų135.393%0.92581%0.814SS**  trans-100145.7176.7-61.9167.14.500108.9
673S39Very low40.5Very low124 Ų124135.2 Ų135.287%0.86781%0.813SS**  trans-150.9140.5143.5-1650000108.6
674A36.2Very low40.7Very low86 Ų86135.2 Ų135.271%0.71182%0.82SS**  trans-120.3142.2-177.800000109.7
675V42.6Very low40.6Very low147 Ų147131.2 Ų131.289%0.89182%0.815SS**  trans-125.4119.9163.6-177.60000107.2
676S38.9Very low40.5Very low96 Ų96135.6 Ų135.667%0.67183%0.826SS**  trans-111.5152.7169.3-530000108.4
677Y39Very low40.9Very low230 Ų230133.2 Ų133.290%0.90282%0.819SS**  -169.8149.7118.6-107.5-78.1000109.6
678P48.6Very low40.7Very low123 Ų123135.9 Ų135.980%0.79982%0.819SS**  trans-124.3169.4-169.540.6-26000115.8
679G39.1Very low41.2Very low65 Ų65133.6 Ų133.667%0.6782%0.815SS**  trans-158.6139158.100000108.6
680S46.7Very low41.5Very low116 Ų116130.8 Ų130.881%0.81181%0.813SS**  64.1129.451.7-78.90000113.3
681Q43.4Very low42.1Very low186 Ų186134.4 Ų134.487%0.86982%0.815SS**  cis-162.6154-1.1-141.8179.322.400112
682G38.6Very low42.6Very low82 Ų82131.5 Ų131.585%0.84581%0.809SS**  trans77.5161.4169.900000115.3
683G39.6Very low43.7Very low67 Ų67130.3 Ų130.369%0.69180%0.803SS**  cis152.8149.4-4.900000111.8
684L41.8Very low44.6Very low190 Ų190129 Ų129100%0.99579%0.792SS**  trans71.5147.8-172.4-45.8173.1000114.2
685G41.7Very low45.7Very low66 Ų66133.3 Ų133.368%0.6880%0.799SS**  cis157.633.7-7.600000117.9
686Q43.2Very low46Very low200 Ų200132.9 Ų132.994%0.93579%0.792SS**  trans-156.2162.2176.3-96.9146.519.600108.7
687G44Very low46.7Very low62 Ų62132.3 Ų132.364%0.63979%0.788SS**  cis153.375.5-3.300000113.1
688D40.5Very low47.2Very low163 Ų163129.5 Ų129.587%0.87278%0.783SS**  trans63162166.4-56.4-47.7000119.4
689S46.9Very low47.6Very low105 Ų105130.5 Ų130.573%0.73478%0.782SS**  trans52.396.4174.651.20000118.6
690E47.7Very low48.3Very low190 Ų190133.6 Ų133.689%0.88878%0.783SS**  trans-99.280143.3-79.1-172.1-17100109.1C692E690-C692 PolarHBondContact O-N 2.7Å
691D49.1Very low48.8Very low145 Ų145135.9 Ų135.978%0.77579%0.786SS**  trans-70115.7153.7-89-57.9000107.1E693D691-E693 VanDerWaalsContact C-N 3.3Å; D691-E693 PolarHBondContact O-N 3.17Å
692C52.1Low49.6Very low120 Ų120135.2 Ų135.281%0.81178%0.783SS**  trans-7187.7177.7-620000110.1E690E690-C692 PolarHBondContact O-N 2.7Å
693E58.3Low50.5Low173 Ų173139.8 Ų139.881%0.80878%0.783SS**  trans-54.5145.1171.8-67.2-139.6128.100111.4D691 M695D691-E693 VanDerWaalsContact C-N 3.3Å; D691-E693 PolarHBondContact O-N 3.17Å; E693-M695 PolarHBondContact O-N 2.84Å
694P59.4Low51Low97 Ų97144.5 Ų144.563%0.6379%0.792SS**  trans-69123.7175.529.1-32.6000110.1D696P694-D696 HydrophobicContact CB-CB 4.49Å; P694-D696 PolarHBondContact O-N 3.41Å
695M59.3Low51.6Low177 Ų177142.5 Ų142.587%0.87278%0.782SS**  trans-69.964158.3-84.5-89.3-170.100109.8E693 S697E693-M695 PolarHBondContact O-N 2.84Å; M695-S697 VanDerWaalsContact C-N 3.3Å
696D49.1Very low51.9Low137 Ų137146.8 Ų146.873%0.73378%0.782SS**  trans-96.762.4161.2-72.8-44.4000107P694P694-D696 HydrophobicContact CB-CB 4.49Å; P694-D696 PolarHBondContact O-N 3.41Å
697S52Low52.1Low85 Ų85141.9 Ų141.959%0.59477%0.769SS**  trans-80.8119.2169.256.10000109.1M695 D699M695-S697 VanDerWaalsContact C-N 3.3Å; S697-D699 PolarHBondContact O-N 3.05Å; S697-D699 VanDerWaalsContact O-N 3.13Å
698E49.6Very low52.3Low170 Ų170146 Ų14679%0.79477%0.772SS**  trans-77.594.3-175.1-67.7162.2145.600110.7D700E698-D700 PolarHBondContact O-N 2.95Å; E698-D700 VanDerWaalsContact O-N 3.16Å
699D56.6Low52.5Low144 Ų144143 Ų14377%0.7776%0.764SS**  trans-7877.9157.5-70.6-37.7000107.9S697 D701S697-D699 PolarHBondContact O-N 3.05Å; S697-D699 VanDerWaalsContact O-N 3.13Å; D699-D701 VanDerWaalsContact C-N 3.35Å; D699-D701 PolarHBondContact O-N 3.39Å; D699-D701 VanDerWaalsContact O-N 3.11Å
700D54.3Low52.8Low131 Ų131145.6 Ų145.670%0.70177%0.769SS**  trans-74.988.1167.3-81.7-41.4000109E698 E702E698-D700 PolarHBondContact O-N 2.95Å; E698-D700 VanDerWaalsContact O-N 3.16Å; D700-E702 PolarHBondContact O-N 2.92Å
701D58.3Low52.6Low164 Ų164143.8 Ų143.888%0.87777%0.766SS**  trans-63.296.4165.5-79-40.6000108.7D699D699-D701 VanDerWaalsContact C-N 3.35Å; D699-D701 PolarHBondContact O-N 3.39Å; D699-D701 VanDerWaalsContact O-N 3.11Å
702E59.4Low52.6Low172 Ų172144.7 Ų144.780%0.80477%0.77SS**  trans-62.3151.1178.8-72.4-179137.100113.6D700D700-E702 PolarHBondContact O-N 2.92Å
703E56.6Low52.2Low178 Ų178147.1 Ų147.183%0.83277%0.769SS**  trans39.2111.4154.6-61.3-169.5-179.400120.5
704D52.1Low51.3Low165 Ų165142 Ų14288%0.88276%0.763SS**  trans-147.156.9147.6-132.5-13.4000109.1F706D704-F706 VanDerWaalsContact C-N 3.35Å; D704-F706 PolarHBondContact O-N 3.36Å
705D52.6Low50.5Low148 Ų148143.8 Ų143.879%0.79177%0.774SS**  trans-78.380.9-176.6-130.9-7.3000109.8C707D705-C707 PolarHBondContact O-N 3.12Å
706F48Very low49.7Very low156 Ų156144.8 Ų144.868%0.68477%0.774SS**  trans-73.270-176.8-165-104.4000112.6D704 E708D704-F706 VanDerWaalsContact C-N 3.35Å; D704-F706 PolarHBondContact O-N 3.36Å; F706-E708 VanDerWaalsContact C-N 3.29Å; F706-E708 HydrophobicContact CD1-CB 4.12Å; F706-E708 HydrophobicContact CE1-CB 3.6Å; F706-E708 HydrophobicContact CE1-CG 4.19Å; F706-E708 HydrophobicContact CZ-CB 4.05Å; F706-E708 HydrophobicContact CZ-CG 4.31Å; F706-E708 PolarHBondContact O-N 3.29Å
707C47.8Very low49.3Very low98 Ų98144.5 Ų144.566%0.66278%0.776SS**  trans-77.572.6170.8-73.50000111.5D705 S709D705-C707 PolarHBondContact O-N 3.12Å; C707-S709 PolarHBondContact O-N 3.02Å
708E49.4Very low48.7Very low147 Ų147145.3 Ų145.369%0.68778%0.782SS**  trans-67.796.1170.9-166164.6-124.300110F706F706-E708 VanDerWaalsContact C-N 3.29Å; F706-E708 HydrophobicContact CD1-CB 4.12Å; F706-E708 HydrophobicContact CE1-CB 3.6Å; F706-E708 HydrophobicContact CE1-CG 4.19Å; F706-E708 HydrophobicContact CZ-CB 4.05Å; F706-E708 HydrophobicContact CZ-CG 4.31Å; F706-E708 PolarHBondContact O-N 3.29Å
709S44.5Very low48.3Very low101 Ų101146.4 Ų146.471%0.70678%0.784SS**  trans-127.966-178.1-64.40000110.1C707 D711C707-S709 PolarHBondContact O-N 3.02Å; S709-D711 PolarHBondContact O-N 3.37Å
710D51.9Low47.4Very low159 Ų159147 Ų14785%0.8579%0.787SS**  trans-71.293.8171.2-92.7-11.5000110.4L712D710-L712 PolarHBondContact O-N 3.48Å
711D45Very low46.8Very low153 Ų153144.5 Ų144.582%0.81878%0.784SS**  trans-62.6124.2162.3-100.5-42.2000110.1S709S709-D711 PolarHBondContact O-N 3.37Å
712L49Very low45.9Very low163 Ų163140.2 Ų140.285%0.85376%0.759SS**  trans-158.7128.7148.8-112.2166.6000113D710D710-L712 PolarHBondContact O-N 3.48Å
713Q43.6Very low44.9Very low172 Ų172137.4 Ų137.480%0.80475%0.746SS**  trans-30.8131.9179.4-105.663.14.100117.2
714G38.3Very low44Very low65 Ų65136.8 Ų136.867%0.6774%0.737SS**  trans-70.2-175.3163.900000113.7
715P43.4Very low43.4Very low135 Ų135135.1 Ų135.188%0.87773%0.728SS**  -133.9175.794.739.4-31.6000114.8
716K41.5Very low42.6Very low198 Ų198135.3 Ų135.386%0.86173%0.729SS**  trans-74.6172.1179.4-62.7168.3-178.9170.70112
717V41.4Very low42.3Very low130 Ų130132.8 Ų132.879%0.78873%0.728SS**  trans96.877.9164.1-1650000116.9
718S39.4Very low41.7Very low103 Ų103136.4 Ų136.472%0.7274%0.735SS**  48.398118.4-47.70000120.6
719K41.1Very low41.2Very low192 Ų192135.9 Ų135.984%0.83574%0.736SS**  168.8145.8109.3-94.1172.1-179.7-179.30115
720L38.2Very low40.6Very low157 Ų157139.4 Ų139.482%0.82274%0.744SS**  trans70.5116.2150-68.9164.2000121.5
721A41.4Very low40Very low78 Ų78143 Ų14365%0.64575%0.746SS**  50.4141.5121.100000121.7
722H40Very low40.1Very low74 Ų74140.7 Ų140.734%0.34374%0.737SS.*  cis-160.3155.5-7.2-113.496.4000108.8C255C255-H722 VanDerWaalsContact CB-CE1 3.42Å; C255-H722 WeakPolarHBondContact CB-CE1 3.32Å; C255-H722 VanDerWaalsContact CB-NE2 3.32Å; C255-H722 WeakPolarHBondContact CB-NE2 3.42Å
723E38Very low39.6Very low113 Ų113141 Ų14153%0.52874%0.739SS.*  trans9140.7130.7-11717017800118.5
724Y38.1Very low39.6Very low166 Ų166140 Ų14065%0.65174%0.738SS**  -165.5166.555.3-115.4-74.4000114.6
725N38.5Very low39.8Very low130 Ų130145 Ų14570%0.69575%0.749SS**  trans-11147.4159.5-64.1-12.7000119.1
726N37.1Very low39.8Very low151 Ų151143.4 Ų143.481%0.80774%0.74SS**  -163.315959.2-126.3-7.7000113.2
727P40.2Very low40Very low103 Ų103141 Ų14167%0.66974%0.737SS**  trans-99142.6-175.636.7-31.4000114.3
728H36.1Very low40.1Very low175 Ų175148.5 Ų148.581%0.8176%0.759SS**  trans-166.4148.2152.6-120.2-90.8000112.9
729L37.8Very low40.1Very low136 Ų136150.8 Ų150.871%0.71276%0.761SS**  trans57.3105.7155.1-73.3155.4000121.4
730M33.8Very low40.1Very low175 Ų175148.6 Ų148.686%0.86276%0.757SS**  51.5104.1126.4-68.7-176.117100120.7
731R38.4Very low40.2Very low235 Ų235148.1 Ų148.189%0.88775%0.753SS**  trans-144.6143.8143.3-96.8-169.8171.7174.3-2.9108.6
732T46.4Very low40.1Very low104 Ų104152.2 Ų152.264%0.63876%0.76SS**  cis-160.5131.3-22.200000106.8
733N39.3Very low40.1Very low168 Ų168157.1 Ų157.190%0.89879%0.786SS**  trans-135.589.3161.9-97-16.7000108
734I44.1Very low40.3Very low153 Ų153160.1 Ų160.179%0.78580%0.803SS**  trans-121.5108.7165.7-64.8172.8000105.4
735L42.1Very low40.4Very low170 Ų170159.6 Ų159.689%0.8981%0.814SS**  trans-138.383.3175.3-169.382.6000108.3
736S43.2Very low40.6Very low100 Ų100161.9 Ų161.970%0.69982%0.823SS**  trans-167.4149.7167-92.30000110.4
737D45.3Very low40.9Very low149 Ų149162.8 Ų162.880%0.79782%0.824SS**  trans62.163.6155.3-56.5-3.6000119.7
738K43.8Very low40.9Very low286 Ų286168.3 Ų168.3100%1.24384%0.838SS**  -173.70104.7-100.6171.6-175.8176.60114.5

Retrieved 738 of 738 residues in 134.7 ms (Link to these results)