A0A096N8B2_PAPAN Loading...

CREB3 regulatory factor

AlphaFold DB , UniProt , Accession A0A096N8B2, Species PAPAN (Papio anubis, Olive baboon), Gene CREBRF, Length 639 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
1M32.8Very low41.7Very low234 Ų234140.8 Ų140.8100%1.15383%0.833SS**  0141.60-68.517268.200107.9
2P36.4Very low42.4Very low127 Ų127138.3 Ų138.383%0.82582%0.823SS**  trans-75.1164.6174.133.1-35.1000111.7
3Q34.4Very low41.8Very low192 Ų192143.6 Ų143.690%0.89783%0.83SS**  trans-116.9162.4167.6-92.2-152.8-8.200111.1
4P45.8Very low41.2Very low120 Ų120139.1 Ų139.178%0.77983%0.83SS**  trans-92.2172.9-149.836.1-37.6000115.6
5S36.7Very low40.8Very low110 Ų110139.1 Ų139.177%0.76982%0.824SS**  trans-82.3142-17452.20000115.5
6V41.7Very low40.9Very low141 Ų141135.5 Ų135.586%0.85582%0.815SS**  trans-124.3126.2145.2-70.80000106
7S41.5Very low40.6Very low117 Ų117138.8 Ų138.882%0.81882%0.816SS**  cis79111.935.5-161.10000113.7
8G43.4Very low40.4Very low60 Ų60143.4 Ų143.462%0.61982%0.818SS**  trans92.473161.900000117.8
9M40.7Very low39.8Very low180 Ų180142.1 Ų142.189%0.88782%0.818SS**  trans-157.2109.8148.9-92.5-56.398.600110
10D47.9Very low39.3Very low154 Ų154144.5 Ų144.582%0.82482%0.821SS**PPolyproline II helixtrans-87.1139.4171.2-69.6-60.9000110.9
11P57.8Low38.9Very low114 Ų114143.5 Ų143.574%0.7482%0.818SS**PPolyproline II helixtrans-69.8132.6170.9-16.130.5000111.3
12P49.5Very low38.8Very low110 Ų110142.6 Ų142.671%0.71481%0.808SS**SBendtrans-67.9152.1166.629.8-33.5000110.6
13F35.4Very low38.6Very low208 Ų208142 Ų14291%0.91281%0.807SS**  trans82.370.2-170.2-53-68.1000115.5D15F13-D15 PolarHBondContact O-N 2.99Å
14G33.2Very low38.5Very low80 Ų80141.9 Ų141.983%0.82581%0.806SS**  trans-73.4114.5161.400000111.5
15D35.2Very low37.7Very low139 Ų139144.9 Ų144.974%0.74381%0.81SS**  trans-86124.2168.9178.821.9000109.7F13F13-D15 PolarHBondContact O-N 2.99Å
16A41.4Very low37.6Very low82 Ų82145.5 Ų145.568%0.67881%0.809SS**  trans-110.414.1-156.400000115.3
17F36.8Very low37.2Very low191 Ų191146.5 Ų146.584%0.83881%0.809SS**  trans-133.587.8177.9-69.1-75000113.4
18R36.3Very low36.7Very low223 Ų223149.1 Ų149.184%0.84281%0.81SS**  trans-107117.1158.5-72.4-170179.8-87.5-6.3110.1H20R18-H20 PolarHBondContact O-N 2.85Å
19S30Very low36Very low117 Ų117151.5 Ų151.582%0.81882%0.818SS**PPolyproline II helixtrans-69.7121.2174.240.80000110.9
20H28.4Very low35.6Very low190 Ų190148.2 Ų148.288%0.8881%0.808SS**PPolyproline II helixtrans-80.5122.8172-102.9-73.5000110.9R18R18-H20 PolarHBondContact O-N 2.85Å
21T32.1Very low34.7Very low125 Ų125147.4 Ų147.477%0.76780%0.804SS**PPolyproline II helixtrans-92.1154.2165.249.80000111
22F31.3Very low33.7Very low215 Ų215150.7 Ų150.794%0.94381%0.814SS**PPolyproline II helixtrans-61.5151.8-170.1-79.6-104.1000116.2
23S31Very low33.1Very low114 Ų114153.2 Ų153.280%0.79782%0.821SS**  trans-148141.8143.858.90000109.7
24E32.4Very low32.9Very low189 Ų189147.7 Ų147.788%0.88381%0.813SS**  trans-66.4147-176.8-61.7159.197.200113.5
25Q29.6Very low32.7Very low183 Ų183151.8 Ų151.886%0.85582%0.816SS**  trans-151.3114.9144.7-159.4165.31900112.6
26T33.2Very low32.4Very low124 Ų124150.9 Ų150.976%0.76182%0.821SS**  trans-81.3124.5175.1-56.10000111.2
27L34.4Very low32.1Very low161 Ų161151.8 Ų151.884%0.84382%0.822SS**  trans-142152.9159.7-77.8-178000110.8
28M31Very low32Very low172 Ų172150 Ų15085%0.84782%0.822SS**  trans-117.3143.7-175.5-55.8-147.177.100112
29S28.7Very low32.6Very low111 Ų111144.5 Ų144.578%0.77682%0.815SS**  trans176.4109.1150-99.10000108.3
30T31.5Very low32.6Very low111 Ų111145.5 Ų145.568%0.68181%0.81SS**  71.1106.977.161.20000115.5
31D30.6Very low32.6Very low137 Ų137146 Ų14673%0.73381%0.811SS**  trans60.6112.2137.4-49.4-32.1000122
32L35Very low32.6Very low182 Ų182146.4 Ų146.495%0.95381%0.805SS**  -134.8131.2129.1-75.8-178.7000109.8
33L37.4Very low33Very low164 Ų164146.7 Ų146.786%0.85980%0.802SS**  trans-114141.6175.4-67.8169.6000110.1
34A30.6Very low33.2Very low91 Ų91148.1 Ų148.175%0.75280%0.796SS**  trans-178110.8141.200000114.2
35N29.8Very low33.2Very low166 Ų166146.3 Ų146.389%0.88879%0.791SS**  trans36.9125139.7-56.85000123
36S29.4Very low33.1Very low120 Ų120142.8 Ų142.884%0.83978%0.779SS**  -155148.3125.163.90000113.1
37S34.1Very low33.1Very low102 Ų102145.4 Ų145.471%0.71378%0.775SS**  trans-99.3-174.4175.5-44.50000110.8
38D35.2Very low32.8Very low154 Ų154144.9 Ų144.982%0.82477%0.768SS**  cis-142.217113.9-94.8-56.8000111.1
39P49.1Very low32.7Very low107 Ų107143.7 Ų143.770%0.69576%0.762SS**  trans-103.4-161.2-163.742.6-38.3000115.3
40D29.1Very low32.8Very low137 Ų137145.6 Ų145.673%0.73376%0.763SS**  trans72110.4167.2-73.6-14.3000120.1
41F29.6Very low32.6Very low201 Ų201150.1 Ų150.188%0.88277%0.769SS**  -146.494.3126.9-135.7-86.2000111.2
42M32.4Very low32.5Very low133 Ų133152.9 Ų152.966%0.65578%0.778SS**  trans-93.9131.7173.4-90.6-76.1-71.500110.5E44M42-E44 HydrophobicContact CE-CG 4.02Å
43Y38.5Very low32.3Very low221 Ų221152.6 Ų152.687%0.86777%0.772SS**  trans-151.5131.5149.3-108-72.9000110.5
44E34.8Very low31.7Very low144 Ų144152.6 Ų152.667%0.67377%0.773SS**  trans-91.6163-178.1-62.7179.710700112.7M42M42-E44 HydrophobicContact CE-CG 4.02Å
45L33.3Very low32.2Very low151 Ų151153.2 Ų153.279%0.79177%0.769SS**  trans43.5121.5142.4-69.4164000119.4
46D28.1Very low32.4Very low110 Ų110155.5 Ų155.559%0.58877%0.765SS**  -156.9154.697.7-138.8-8.5000113.7
47R31.9Very low32.3Very low179 Ų179155.1 Ų155.168%0.67575%0.754SS**  trans32.4153.1151.9-79.2171.3-103.9-90.4-13.4122.2
48E28.4Very low32.3Very low149 Ų149155.5 Ų155.570%0.69675%0.747SS**  cis-153.7152.823.2-15878.5-104.500110.6
49M30.3Very low32Very low147 Ų147156.7 Ų156.772%0.72475%0.746SS**  trans-80.1141.7167.3-81.9-137.6-5800112Y51M49-Y51 HydrophobicContact CE-CD2 4.25Å; M49-Y51 HydrophobicContact CE-CE2 4.16Å; M49-Y51 HydrophobicContact SD-CD2 4.33Å; M49-Y51 HydrophobicContact SD-CE2 4.09Å
50N29.4Very low31.2Very low152 Ų152159.2 Ų159.281%0.81375%0.753SS**  trans-137.6105.7158.5-90.7-82.3000111.3
51Y27.8Very low31.2Very low206 Ų206158.1 Ų158.181%0.80876%0.756SS**  trans-78.4135.8159.1-90.8-103.2000108.9M49M49-Y51 HydrophobicContact CE-CD2 4.25Å; M49-Y51 HydrophobicContact CE-CE2 4.16Å; M49-Y51 HydrophobicContact SD-CD2 4.33Å; M49-Y51 HydrophobicContact SD-CE2 4.09Å
52Q29.3Very low31.3Very low194 Ų194154.5 Ų154.591%0.90775%0.745SS**  trans-138.1127.5163.4-156.9170.15.700111.7
53Q28.9Very low31.2Very low177 Ų177155 Ų15583%0.82775%0.745SS**  trans-89.2154.7179.5-60.8171-20.900110.9
54N25.7Very low30.8Very low164 Ų164150.7 Ų150.788%0.87774%0.738SS**  trans-154.2150.4135.6-122.9-10.4000111.6
55P41.6Very low30.7Very low103 Ų103148.3 Ų148.367%0.66974%0.735SS**  trans-119.8-170.1-165.844.2-34.4000115
56R32.8Very low30.7Very low215 Ų215149.7 Ų149.781%0.81174%0.735SS**  trans81.3150.4167.1-74.9-178.8178.8-1363.2116.6
57D29Very low30.9Very low112 Ų112152.4 Ų152.460%0.59975%0.75SS**  cis-136.5137.414.6-101.4-42.7000114.9
58N32.7Very low31.2Very low109 Ų109150 Ų15058%0.58375%0.749SS**  trans65.8118.8132.7-62.7-27.1000126.3
59F28.8Very low31.4Very low179 Ų179151.1 Ų151.179%0.78575%0.754SS**  trans60.8112.3131.1-65.5-59000121.7
60L32.4Very low31.5Very low161 Ų161152.4 Ų152.484%0.84376%0.764SS**  -178.2136.686.4-93.7-178.9000113.4
61S30.1Very low31.9Very low114 Ų114152.4 Ų152.480%0.79776%0.763SS**  trans73.1147.2139.9-164.40000120.5
62L30.1Very low32.3Very low124 Ų124150.7 Ų150.765%0.64976%0.763SS**  cis-177.3145.4-24.2-169.433.7000107.1
63E31.2Very low32.8Very low144 Ų144146.5 Ų146.567%0.67375%0.754SS**  trans62.4150.2174.6-95.857132.200119.2
64D31.2Very low32.9Very low131 Ų131146.8 Ų146.870%0.70175%0.753SS**  cis-157.5173.7-12.5-151.2-8.7000112.4
65C30.9Very low33.5Very low93 Ų93145.4 Ų145.463%0.62875%0.751SS**  trans44117.4161.7-70.80000119.4
66K34.9Very low33.3Very low180 Ų180148 Ų14878%0.78376%0.759SS**  57.5112.166.1-63.5179.3179.1173.90114.7
67D32.5Very low33.5Very low168 Ų168143.7 Ų143.790%0.89876%0.756SS**  -151.6167.1106.6-114.4-22.5000110.8
68I36.3Very low33.9Very low129 Ų129146.3 Ų146.366%0.66277%0.77SS**  trans-135.1147.1-159.8-73.9176.2000111.7
69E34.3Very low33.9Very low172 Ų172148.3 Ų148.380%0.80478%0.78SS**  trans54.497.3163.5-72.5153.6-148.800118.9
70N32Very low34.1Very low173 Ų173147 Ų14793%0.92578%0.781SS**  -132.2103.5127.8-150.2-104.4000109.8
71L38.1Very low34.2Very low152 Ų152145.6 Ų145.680%0.79677%0.771SS**  trans-93.2167.7178.6-172.861.6000109.8
72E36Very low34.6Very low171 Ų171144.6 Ų144.680%0.79978%0.778SS**  trans78.659.3155.2-155166-116.600117.8
73S39.3Very low35Very low105 Ų105141.8 Ų141.873%0.73477%0.773SS**SBend-171.589125.6-164.70000112.5
74F32.2Very low35.3Very low184 Ų184142.3 Ų142.381%0.80778%0.779SS**  trans-169.834.3150.2-107.2-61.8000112.2D76F74-D76 PolarHBondContact O-N 2.6Å
75T37.9Very low35.6Very low134 Ų134142.5 Ų142.582%0.82279%0.785SS**THydrogen-bonded Turntrans-8237.3-168.4-22.10000113.7
76D35.9Very low35.9Very low157 Ų157142.2 Ų142.284%0.8478%0.784SS**THydrogen-bonded Turntrans-145.810.5-166.4-132.40.4000114.2F74F74-D76 PolarHBondContact O-N 2.6Å
77V37.7Very low35.8Very low125 Ų125138.4 Ų138.476%0.75877%0.773SS**SBendtrans-137.542.7176.6-1600000110.9
78L37.2Very low36Very low167 Ų167141.1 Ų141.187%0.87477%0.77SS**  trans-138.546-176.9-140.6159.8000111.7
79D33.7Very low36.1Very low152 Ų152142.5 Ų142.581%0.81377%0.774SS**SBendtrans-144.161.1172.3-162.717.6000110.9
80N33.4Very low36.3Very low150 Ų150140 Ų14080%0.80276%0.762SS**SBendtrans-167.2166.7162.6-115.7-83.6000111.9
81E33.9Very low36.7Very low133 Ų133139.8 Ų139.862%0.62175%0.749SS**  trans61.539.6170.7-65.9-60.3155.700118.2A83E81-A83 PolarHBondContact O-N 3.05Å
82G37.5Very low36.9Very low92 Ų92138.6 Ų138.695%0.94874%0.743SS**THydrogen-bonded Turntrans-71.955158.800000113.4
83A38.6Very low37.1Very low65 Ų65134.9 Ų134.954%0.53773%0.732SS.*THydrogen-bonded Turntrans-136.30.3-164.900000116.8E81E81-A83 PolarHBondContact O-N 3.05Å
84L38.9Very low37Very low156 Ų156137.8 Ų137.882%0.81773%0.728SS**SBendtrans-100.810-161.5-92153.1000117.7
85T36.3Very low37.6Very low134 Ų134133.2 Ų133.282%0.82272%0.718SS**SBendtrans-109.7-8.4176.554.50000115N87T85-N87 PolarHBondContact O-N 2.81Å
86S38.2Very low37.8Very low87 Ų87133 Ų13361%0.60871%0.708SS**THydrogen-bonded Turntrans-78.1-17.3-169.9-171.20000115.7
87N32.6Very low38Very low100 Ų100128.6 Ų128.654%0.53568%0.684SS.*THydrogen-bonded Turntrans-80.4-23.7-165.7-163.8-104.7000114.3T85 Q90 W91T85-N87 PolarHBondContact O-N 2.81Å; N87-Q90 WeakPolarHBondContact O-CB 3.14Å; N87-Q90 PolarHBondContact O-N 2.94Å; N87-W91 VanDerWaalsContact O-CD1 3.26Å; N87-W91 PolarHBondContact OD1-NE1 3.43Å
88W36Very low38.2Very low225 Ų225127.9 Ų127.985%0.85268%0.676SS**SBendtrans-76.3-36.8-169.5-126.9-62.5000113.7Q90W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 3.2Å
89E39.2Very low38.7Very low158 Ų158124.5 Ų124.574%0.73866%0.662SS**THydrogen-bonded Turntrans-76.7-14.2177.3-59.4179.6140.900112.7W91 T93E89-W91 VanDerWaalsContact C-N 3.32Å; E89-W91 PolarHBondContact O-N 2.88Å; E89-T93 PolarHBondContact O-OG1 3.25Å
90Q38.1Very low39.1Very low119 Ų119122.3 Ų122.356%0.55665%0.645SS**Hα-helixtrans-72.5-24.6-178-161.4171.312.400112.9N87 W88 Y94N87-Q90 WeakPolarHBondContact O-CB 3.14Å; N87-Q90 PolarHBondContact O-N 2.94Å; W88-Q90 VanDerWaalsContact C-N 3.27Å; W88-Q90 PolarHBondContact O-N 3.2Å; Q90-Y94 PolarHBondContact O-N 3.36Å
91W39.5Very low39.3Very low170 Ų170123.8 Ų123.864%0.64464%0.641SS**Hα-helixtrans-73.1-43.5-178.8-73.391.3000113.3N87 E89 T93 Y94 C95N87-W91 VanDerWaalsContact O-CD1 3.26Å; N87-W91 PolarHBondContact OD1-NE1 3.43Å; E89-W91 VanDerWaalsContact C-N 3.32Å; E89-W91 PolarHBondContact O-N 2.88Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.45Å; W91-Y94 PolarHBondContact O-N 3.47Å; W91-C95 PolarHBondContact O-N 2.86Å; W91-C95 PolarHBondContact O-SG 2.73Å; W91-C95 VanDerWaalsContact O-SG 3.39Å
92D42.6Very low39.6Very low126 Ų126121 Ų12167%0.67463%0.633SS**Hα-helixtrans-65.4-38.5177.7-69.6-35.5000111Y94 C95D92-Y94 VanDerWaalsContact C-N 3.34Å; D92-Y94 PolarHBondContact O-N 3.41Å; D92-C95 WeakPolarHBondContact O-CB 3.43Å; D92-C95 PolarHBondContact O-N 2.99Å
93T40.9Very low39.7Very low94 Ų94124.9 Ų124.958%0.57762%0.624SS**Hα-helixtrans-60.9-39.9176-53.80000112.3E89 W91 C95 E96E89-T93 PolarHBondContact O-OG1 3.25Å; W91-T93 VanDerWaalsContact C-N 3.31Å; W91-T93 PolarHBondContact O-N 3.45Å; T93-C95 VanDerWaalsContact C-N 3.31Å; T93-C95 PolarHBondContact O-N 2.68Å; T93-E96 PolarHBondContact O-N 2.78Å
94Y36.4Very low39.6Very low165 Ų165129.4 Ų129.465%0.64764%0.638SS**Hα-helixtrans-69.2-28.2179.4-166.6-105000112.9Q90 W91 D92 E96 D97 L98Q90-Y94 PolarHBondContact O-N 3.36Å; W91-Y94 PolarHBondContact O-N 3.47Å; D92-Y94 VanDerWaalsContact C-N 3.34Å; D92-Y94 PolarHBondContact O-N 3.41Å; Y94-E96 PolarHBondContact O-N 2.92Å; Y94-D97 PolarHBondContact O-N 3.45Å; Y94-L98 PolarHBondContact O-N 2.93Å
95C44Very low39.5Very low88 Ų88126.9 Ų126.960%0.59563%0.629SS**Hα-helixtrans-68.2-32.1177.9-680000112.9W91 D92 T93W91-C95 PolarHBondContact O-N 2.86Å; W91-C95 PolarHBondContact O-SG 2.73Å; W91-C95 VanDerWaalsContact O-SG 3.39Å; D92-C95 WeakPolarHBondContact O-CB 3.43Å; D92-C95 PolarHBondContact O-N 2.99Å; T93-C95 VanDerWaalsContact C-N 3.31Å; T93-C95 PolarHBondContact O-N 2.68Å
96E43.3Very low39.5Very low131 Ų131125.4 Ų125.461%0.61262%0.624SS**Hα-helixtrans-71.2-40.9173.9-65.9-159.2157.800112.5T93 Y94 L98 T99T93-E96 PolarHBondContact O-N 2.78Å; Y94-E96 PolarHBondContact O-N 2.92Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; E96-T99 PolarHBondContact O-N 3.4Å; E96-T99 PolarHBondContact O-OG1 2.87Å
97D39.9Very low39.6Very low64 Ų64126.5 Ų126.534%0.34263%0.631SS.*Hα-helixtrans-68.2-29-174.4-103.538000113.7Y94 T99 K100 Y101Y94-D97 PolarHBondContact O-N 3.45Å; D97-T99 PolarHBondContact O-N 3.29Å; D97-K100 WeakPolarHBondContact O-CA 3.11Å; D97-K100 WeakPolarHBondContact O-CB 3.36Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 VanDerWaalsContact OD1-CD 3.29Å; D97-K100 WeakPolarHBondContact OD1-CD 3.4Å; D97-K100 VanDerWaalsContact OD1-CE 3.3Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 2.98Å; D97-K100 PolarHBondContact OD1-NZ 3.49Å; D97-Y101 PolarHBondContact O-N 3.07Å
98L41.8Very low39.7Very low110 Ų110127.7 Ų127.758%0.57664%0.637SS**Hα-helixtrans-59-33.2176.8-171.361000112.3Y94 E96 K100 T102Y94-L98 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.34Å; E96-L98 PolarHBondContact O-N 3.3Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.01Å; L98-T102 PolarHBondContact O-N 3.29Å; L98-T102 PolarHBondContact O-OG1 3.48Å
99T47.2Very low40.3Very low96 Ų96124.7 Ų124.759%0.58964%0.636SS**Hα-helixtrans-73.1-19.9174.866.20000113.7E96 D97E96-T99 PolarHBondContact O-N 3.4Å; E96-T99 PolarHBondContact O-OG1 2.87Å; D97-T99 PolarHBondContact O-N 3.29Å
100K42.2Very low40.5Very low106 Ų106128 Ų12846%0.46164%0.642SS.*Hα-helixtrans-78.5-38.1-179.5-55.9174.8-160.8162.40110.6D97 L98D97-K100 WeakPolarHBondContact O-CA 3.11Å; D97-K100 WeakPolarHBondContact O-CB 3.36Å; D97-K100 PolarHBondContact O-N 3.41Å; D97-K100 VanDerWaalsContact OD1-CD 3.29Å; D97-K100 WeakPolarHBondContact OD1-CD 3.4Å; D97-K100 VanDerWaalsContact OD1-CE 3.3Å; D97-K100 WeakPolarHBondContact OD1-CE 3.49Å; D97-K100 IonicContact OD1-NZ 2.98Å; D97-K100 PolarHBondContact OD1-NZ 3.49Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.01Å
101Y37.5Very low40.2Very low181 Ų181125.4 Ų125.471%0.7165%0.647SS**Hα-helixtrans-79.4-21.1173.7-73.6-82.4000114.5D97 K103 L104D97-Y101 PolarHBondContact O-N 3.07Å; Y101-K103 PolarHBondContact O-N 3.1Å; Y101-L104 PolarHBondContact O-N 3.45Å
102T39.8Very low39.9Very low74 Ų74122.3 Ų122.345%0.45465%0.647SS.*G310 helixtrans-63.3-11.8176.4-61.90000113.6L98 L104 T105L98-T102 PolarHBondContact O-N 3.29Å; L98-T102 PolarHBondContact O-OG1 3.48Å; T102-L104 PolarHBondContact O-N 2.93Å; T102-L104 VanDerWaalsContact O-N 3.09Å; T102-T105 PolarHBondContact O-N 3.36Å; T102-T105 VanDerWaalsContact O-N 3.13Å; T102-T105 PolarHBondContact O-OG1 3.35Å
103K39.7Very low39.5Very low173 Ų173124.6 Ų124.675%0.75265%0.651SS**G310 helixtrans-68.9-1.4178.3-68.1-171.9176.3-178.50115.8Y101Y101-K103 PolarHBondContact O-N 3.1Å
104L36.6Very low39.5Very low161 Ų161127.6 Ų127.684%0.84366%0.659SS**G310 helixtrans-110.42.4173.2-83.8152.1000113.4Y101 T102Y101-L104 PolarHBondContact O-N 3.45Å; T102-L104 PolarHBondContact O-N 2.93Å; T102-L104 VanDerWaalsContact O-N 3.09Å
105T36.7Very low39.7Very low102 Ų102123.6 Ų123.663%0.62665%0.651SS**  trans-121.822.4179.850.10000113.6T102 C107T102-T105 PolarHBondContact O-N 3.36Å; T102-T105 VanDerWaalsContact O-N 3.13Å; T102-T105 PolarHBondContact O-OG1 3.35Å; T105-C107 PolarHBondContact O-N 3.02Å
106S36.6Very low39.6Very low103 Ų103126.9 Ų126.972%0.7266%0.663SS**  trans-73.461.7158.760.90000111
107C40.4Very low39.3Very low111 Ų111128.7 Ų128.775%0.7567%0.665SS**  trans-101.7115.2160.2-90.40000107.4T105 I109T105-C107 PolarHBondContact O-N 3.02Å; C107-I109 PolarHBondContact O-N 3Å; C107-I109 VanDerWaalsContact O-N 3.16Å
108D36Very low39.8Very low124 Ų124133.9 Ų133.966%0.66369%0.692SS**  trans-61.3119.1175.8-70.7-73.1000110.8W110 G111D108-W110 PolarHBondContact O-N 2.78Å; D108-W110 VanDerWaalsContact O-N 3.07Å; D108-G111 PolarHBondContact O-N 3.25Å
109I47.9Very low40.2Very low162 Ų162131.9 Ų131.983%0.83170%0.698SS**SBendtrans-64.8-10.2173.5-62.9173.9000110.8C107C107-I109 PolarHBondContact O-N 3Å; C107-I109 VanDerWaalsContact O-N 3.16Å
110W43.3Very low39.9Very low229 Ų229135.6 Ų135.687%0.86771%0.713SS**SBendtrans-117.675.6165.6-59.599000109.6D108 T112D108-W110 PolarHBondContact O-N 2.78Å; D108-W110 VanDerWaalsContact O-N 3.07Å; W110-T112 PolarHBondContact O-N 3.32Å
111G31.1Very low39.9Very low64 Ų64136.2 Ų136.266%0.6672%0.722SS**  trans-63.899.4-168.200000115.2D108 K113D108-G111 PolarHBondContact O-N 3.25Å; G111-K113 VanDerWaalsContact C-N 3.27Å; G111-K113 PolarHBondContact O-N 2.72Å
112T34.8Very low40.3Very low104 Ų104134.7 Ų134.764%0.63873%0.726SS**  trans-83.276153.850.80000108.5W110 E114W110-T112 PolarHBondContact O-N 3.32Å; T112-E114 VanDerWaalsContact C-N 3.25Å; T112-E114 WeakPolarHBondContact CB-OE1 3.45Å; T112-E114 PolarHBondContact O-N 3.3Å
113K33.1Very low40.4Very low174 Ų174140.5 Ų140.576%0.75775%0.745SS**  trans-78.482.2170.8-166-171.3-176-167.50108.9G111 V115G111-K113 VanDerWaalsContact C-N 3.27Å; G111-K113 PolarHBondContact O-N 2.72Å; K113-V115 HydrophobicContact CD-CG2 3.86Å; K113-V115 HydrophobicContact CG-CG2 4Å; K113-V115 PolarHBondContact O-N 3.04Å; K113-V115 VanDerWaalsContact O-N 3.09Å
114E41.2Very low40.7Very low158 Ų158137.5 Ų137.574%0.73875%0.746SS**  trans-52.6115.2152.4-21.2-66.614100106.3T112T112-E114 VanDerWaalsContact C-N 3.25Å; T112-E114 WeakPolarHBondContact CB-OE1 3.45Å; T112-E114 PolarHBondContact O-N 3.3Å
115V41.1Very low40.8Very low81 Ų81134 Ų13449%0.49174%0.735SS.*  trans-93.8128.7168.1178.50000106K113 Y117K113-V115 HydrophobicContact CD-CG2 3.86Å; K113-V115 HydrophobicContact CG-CG2 4Å; K113-V115 PolarHBondContact O-N 3.04Å; K113-V115 VanDerWaalsContact O-N 3.09Å; V115-Y117 HydrophobicContact CB-CD2 4.34Å; V115-Y117 PolarHBondContact O-N 3.39Å
116D40.5Very low41.2Very low157 Ų157134.5 Ų134.584%0.8474%0.74SS**  trans-56.496.4175.4-74-61.7000110.8L118D116-L118 PolarHBondContact O-N 2.93Å
117Y38.3Very low41.6Very low168 Ų168139.7 Ų139.766%0.65975%0.745SS**  trans-83.347.7-174.1-116.3-86.1000112.5V115 D121V115-Y117 HydrophobicContact CB-CD2 4.34Å; V115-Y117 PolarHBondContact O-N 3.39Å; Y117-D121 HydrophobicContact CE1-CB 4.22Å; Y117-D121 PolarHBondContact OH-OD2 2.95Å
118L49.5Very low42Very low173 Ų173142.4 Ų142.491%0.90675%0.747SS**SBendtrans-134.576.7175.7-72.5177.1000110.6D116D116-L118 PolarHBondContact O-N 2.93Å
119G50.1Low42.5Very low69 Ų69141.1 Ų141.171%0.71174%0.74SS**SBendtrans142.98.6151.600000121.1
120L41.6Very low42.9Very low173 Ų173140.4 Ų140.491%0.90673%0.734SS**  trans-134.33-173.3-77.5177.8000118.3D122L120-D122 PolarHBondContact O-N 3.1Å
121D41.1Very low43.7Very low120 Ų120135.4 Ų135.464%0.64272%0.72SS**  trans-91.75.7-168.5-14240000115.5Y117 F123Y117-D121 HydrophobicContact CE1-CB 4.22Å; Y117-D121 PolarHBondContact OH-OD2 2.95Å; D121-F123 PolarHBondContact O-N 3.42Å
122D47.4Very low44.9Very low149 Ų149136.3 Ų136.380%0.79771%0.712SS**SBendtrans-907.2-167.1-147.927.2000114.7L120L120-D122 PolarHBondContact O-N 3.1Å
123F42.1Very low45.9Very low196 Ų196136.1 Ų136.186%0.8671%0.706SS**SBendtrans-145.356.2-175.1-80.5-78.9000115.1D121D121-F123 PolarHBondContact O-N 3.42Å
124S45.8Very low46.9Very low110 Ų110132.3 Ų132.377%0.76970%0.702SS**  trans177.671.2143.341.60000115.7
125S38.2Very low47.7Very low87 Ų87131.7 Ų131.761%0.60870%0.696SS**  trans-115101164.3-870000111.9Y127S125-Y127 PolarHBondContact O-N 3.29Å
126P45.8Very low48.7Very low113 Ų113131.8 Ų131.873%0.73470%0.697SS**THydrogen-bonded Turntrans-68.713.4-176.9-23.335.6000117.3
127Y44.8Very low50.1Low211 Ų211128 Ų12883%0.82768%0.681SS**THydrogen-bonded Turntrans-139.440.9-172-67.4-72.1000113.5S125S125-Y127 PolarHBondContact O-N 3.29Å
128Q49Very low51.8Low168 Ų168123.8 Ų123.879%0.78567%0.673SS**  trans-107.443.8168.7-73.4-174.5-27.300111.9
129D45.8Very low52.4Low98 Ų98122 Ų12252%0.52466%0.664SS.*  trans-101.693.5177.2-156.4-12.2000109.6E131 V132D129-E131 PolarHBondContact O-N 3.13Å; D129-E131 VanDerWaalsContact O-N 3.09Å; D129-V132 HydrophobicContact CB-CG2 4.05Å; D129-V132 WeakPolarHBondContact O-CB 3.33Å; D129-V132 PolarHBondContact O-N 3.03Å
130E57.1Low53.1Low147 Ų147122.2 Ų122.269%0.68766%0.659SS**Hα-helixtrans-52.8-28.8-179.9-71-79.6130.200112.4V132 I133 S134E130-V132 PolarHBondContact O-N 3.03Å; E130-I133 PolarHBondContact O-N 3.1Å; E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.79Å; E130-S134 VanDerWaalsContact O-N 3.16Å; E130-S134 PolarHBondContact O-OG 3Å
131E58.6Low54.3Low124 Ų124118.9 Ų118.958%0.57964%0.639SS**Hα-helixtrans-66.1-17.1174.5-81.6-146.9-150.700114.1D129 S134 K135D129-E131 PolarHBondContact O-N 3.13Å; D129-E131 VanDerWaalsContact O-N 3.09Å; E131-S134 WeakPolarHBondContact CA-OG 3.42Å; E131-S134 PolarHBondContact O-OG 2.85Å; E131-K135 WeakPolarHBondContact O-CD 3.25Å; E131-K135 WeakPolarHBondContact O-CE 3.45Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-NZ 3.25Å; E131-K135 IonicContact OE2-NZ 2.69Å; E131-K135 PolarHBondContact OE2-NZ 3.47Å
132V56.4Low55.7Low83 Ų83117.8 Ų117.850%0.50363%0.632SS.*Hα-helixtrans-92.8-41.7175.7-178.60000110.5D129 E130 S134 K135 T136D129-V132 HydrophobicContact CB-CG2 4.05Å; D129-V132 WeakPolarHBondContact O-CB 3.33Å; D129-V132 PolarHBondContact O-N 3.03Å; E130-V132 PolarHBondContact O-N 3.03Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 3.27Å; V132-K135 PolarHBondContact O-N 3.41Å; V132-T136 PolarHBondContact O-N 2.79Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.44Å
133I55.6Low56.5Low99 Ų99116 Ų11651%0.50862%0.623SS.*Hα-helixtrans-59.8-43.3179.4-54.8175.6000110.3E130 K135 T136E130-I133 PolarHBondContact O-N 3.1Å; I133-K135 PolarHBondContact O-N 2.93Å; I133-T136 PolarHBondContact O-N 3.01Å; I133-T136 PolarHBondContact O-OG1 2.87Å
134S55.1Low57.4Low95 Ų95109.8 Ų109.866%0.66460%0.604SS**THydrogen-bonded Turntrans-66.5-8.6174.452.40000115.5E130 E131 V132E130-S134 WeakPolarHBondContact O-CB 3.45Å; E130-S134 PolarHBondContact O-N 2.79Å; E130-S134 VanDerWaalsContact O-N 3.16Å; E130-S134 PolarHBondContact O-OG 3Å; E131-S134 WeakPolarHBondContact CA-OG 3.42Å; E131-S134 PolarHBondContact O-OG 2.85Å; V132-S134 VanDerWaalsContact C-N 3.3Å; V132-S134 PolarHBondContact O-N 3.27Å
135K57.9Low57.7Low144 Ų144110.8 Ų110.863%0.62660%0.596SS**THydrogen-bonded Turntrans-109.4-12.3177.8-62.8178.3-173.3107.80113.2E131 V132 I133E131-K135 WeakPolarHBondContact O-CD 3.25Å; E131-K135 WeakPolarHBondContact O-CE 3.45Å; E131-K135 VanDerWaalsContact O-CG 3.25Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-NZ 3.25Å; E131-K135 IonicContact OE2-NZ 2.69Å; E131-K135 PolarHBondContact OE2-NZ 3.47Å; V132-K135 PolarHBondContact O-N 3.41Å; I133-K135 PolarHBondContact O-N 2.93Å
136T61.4Low58.6Low83 Ų83113.3 Ų113.351%0.50960%0.603SS.*SBendtrans-82.2126.5171.435.30000111.7V132 I133 T138V132-T136 PolarHBondContact O-N 2.79Å; V132-T136 VanDerWaalsContact O-N 3.16Å; V132-T136 PolarHBondContact O-OG1 3.44Å; I133-T136 PolarHBondContact O-N 3.01Å; I133-T136 PolarHBondContact O-OG1 2.87Å; T136-T138 PolarHBondContact O-N 3.33Å
137P70.7Confident58.8Low77 Ų77113 Ų11350%0.560%0.603SS.*PPolyproline II helixtrans-65.8133.9178.727.4-34.3000110.8L142P137-L142 HydrophobicContact CG-CD2 4.34Å
138T73.2Confident59.1Low80 Ų80110.1 Ų110.149%0.49160%0.598SS.*PPolyproline II helixtrans-70.5156.6-179.557.70000112T136 A140 Q141 L142T136-T138 PolarHBondContact O-N 3.33Å; T138-A140 PolarHBondContact O-N 3.07Å; T138-A140 VanDerWaalsContact O-N 3.07Å; T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.33Å; T138-L142 PolarHBondContact O-N 3.27Å
139L62.8Low58.9Low136 Ų136107.3 Ų107.371%0.71260%0.596SS**THydrogen-bonded Turntrans-56.4-26.4176.4-167.269.1000112.7N143L139-N143 PolarHBondContact O-N 3.19Å; L139-N143 PolarHBondContact O-ND2 3.27Å
140A65.3Low59Low74 Ų74109.8 Ų109.861%0.61261%0.614SS**THydrogen-bonded Turntrans-70.6-4117400000112.7T138 N143 S144T138-A140 PolarHBondContact O-N 3.07Å; T138-A140 VanDerWaalsContact O-N 3.07Å; A140-N143 PolarHBondContact O-N 2.91Å; A140-S144 PolarHBondContact O-N 3.46Å
141Q67Low58.4Low103 Ų103107.3 Ų107.348%0.48161%0.613SS.*G310 helixtrans-63.5-46.1177.2-71.2165-81.500111T138 N143 S144T138-Q141 PolarHBondContact O-N 2.94Å; T138-Q141 PolarHBondContact OG1-OE1 3.33Å; Q141-N143 PolarHBondContact O-N 2.88Å; Q141-N143 VanDerWaalsContact O-N 3.15Å; Q141-S144 WeakPolarHBondContact O-CB 3.46Å; Q141-S144 PolarHBondContact O-N 3.11Å; Q141-S144 PolarHBondContact O-OG 3.1Å
142L70.1Confident57.3Low96 Ų96109 Ų10950%0.50363%0.627SS.*G310 helixtrans-64.5-16.3178-64.3173.6000114.2P137 T138P137-L142 HydrophobicContact CG-CD2 4.34Å; T138-L142 PolarHBondContact O-N 3.27Å
143N63.2Low56.5Low113 Ų113109.9 Ų109.960%0.60464%0.637SS**G310 helixtrans-95.3-5.6172-77.8-73.2000113.2L139 A140 Q141L139-N143 PolarHBondContact O-N 3.19Å; L139-N143 PolarHBondContact O-ND2 3.27Å; A140-N143 PolarHBondContact O-N 2.91Å; Q141-N143 PolarHBondContact O-N 2.88Å; Q141-N143 VanDerWaalsContact O-N 3.15Å
144S61.2Low56.1Low64 Ų64112.7 Ų112.745%0.44865%0.652SS.*THydrogen-bonded Turntrans-91.1-19.3-177.971.60000114.2A140 Q141A140-S144 PolarHBondContact O-N 3.46Å; Q141-S144 WeakPolarHBondContact O-CB 3.46Å; Q141-S144 PolarHBondContact O-N 3.11Å; Q141-S144 PolarHBondContact O-OG 3.1Å
145E53Low55Low132 Ų132119 Ų11962%0.61766%0.662SS**G310 helixtrans-76.1-29.9-176.8-63.6172.9129.500112.2S147E145-S147 PolarHBondContact O-N 3.48Å
146D56.3Low54.1Low140 Ų140121.9 Ų121.975%0.74967%0.671SS**G310 helixtrans-758.7-179-145.129.1000113.4
147S51Low53.2Low106 Ų106123.3 Ų123.374%0.74168%0.681SS**G310 helixtrans-124.66.7-176.5-65.60000114.5E145E145-S147 PolarHBondContact O-N 3.48Å
148Q50.4Low51.5Low151 Ų151126.1 Ų126.171%0.70669%0.693SS**  trans-88.6124.5179.5-66.6-175.60.100111.7V150Q148-V150 PolarHBondContact O-N 3.43Å
149S44.2Very low49.6Very low109 Ų109127 Ų12776%0.76270%0.701SS**  trans-71.1123.1175.153.60000111S151S149-S151 PolarHBondContact O-N 2.86Å
150V48.6Very low48.4Very low149 Ų149126.9 Ų126.990%0.90370%0.701SS**  trans-67.7104.1-178.8-177.80000110.9Q148Q148-V150 PolarHBondContact O-N 3.43Å
151S44.8Very low46.8Very low95 Ų95132.6 Ų132.666%0.66471%0.712SS**  trans-152.5151.3168.5-71.20000108.7S149S149-S151 PolarHBondContact O-N 2.86Å
152D36.1Very low45Very low161 Ų161132.8 Ų132.886%0.86173%0.725SS**  trans58.192.2-176.7-60.2-24.2000115.3
153S39Very low43.1Very low101 Ų101134.7 Ų134.771%0.70674%0.74SS**  cis96.9105.247.1-170.50000113.6
154L47.1Very low41.7Very low158 Ų158138.1 Ų138.183%0.82775%0.75SS**  trans35.198.6143.6-57.5175.8000118.7
155Y30.9Very low40.3Very low227 Ų227144.2 Ų144.289%0.8977%0.771SS**  trans-147.6124.7140.1-128.1-84000111.8
156Y40.3Very low39.1Very low204 Ų204144.3 Ų144.380%0.878%0.776SS**  trans-115.8140.3173.8-129.9-87.8000108.2
157P42.9Very low38.5Very low113 Ų113143.2 Ų143.273%0.73478%0.777SS**  trans-131.2148.2146.826.7-9.8000112.7
158D33.7Very low37.4Very low137 Ų137145 Ų14573%0.73378%0.777SS**  trans-83.5172.3-161.6-56.2-78.5000117.2
159S34.6Very low37.2Very low97 Ų97142.5 Ų142.568%0.67877%0.774SS**  trans94.4118.7133.3-76.30000121.5
160L35.8Very low36.3Very low135 Ų135143.5 Ų143.571%0.70778%0.776SS**  trans60.3125.8131-51.2168.8000117.5
161F32.7Very low35.3Very low193 Ų193141.7 Ų141.785%0.84677%0.77SS**  cis-155.4175.247.6-102.1-77.6000113.4
162S29.9Very low34.8Very low107 Ų107146.8 Ų146.875%0.74878%0.78SS**  trans-101.9-179.3176.2-1730000112.4
163V30Very low35.2Very low136 Ų136145.3 Ų145.382%0.82478%0.78SS**  trans96.9124.3164.5-171.70000117.8
164K33.6Very low34.8Very low185 Ų185144 Ų14480%0.80478%0.782SS**  trans-47.8147.8170.8-53.6170.5175.6-179.90114.1
165Q31.6Very low34.4Very low192 Ų192145.9 Ų145.990%0.89778%0.784SS**  -179.4147.1102.9-97.6174.615.700113.7
166N27.7Very low34.5Very low135 Ų135144.4 Ų144.472%0.72278%0.782SS**  trans-93.4160.8154.7-122.1-23000106.9
167P44.4Very low34.3Very low116 Ų116142 Ų14275%0.75378%0.781SS**  cis-140.2-18032.740.1-19.9000118.1
168L27.8Very low33.8Very low143 Ų143142.8 Ų142.875%0.74978%0.784SS**  trans-40.3172.2152.9-84.5101.6000115.6
169P44.6Very low33.7Very low100 Ų100142 Ų14265%0.64979%0.789SS**  cis-142-175.918.333.4-10.2000118.1
170T25.5Very low33.8Very low130 Ų130148.6 Ų148.680%0.79880%0.799SS**  trans70.8145.5153.623.80000118.5
171S29.3Very low33.6Very low111 Ų111146.5 Ų146.578%0.77680%0.801SS**  cis-156.215416.647.80000115.3
172F33.4Very low33.7Very low201 Ų201142.3 Ų142.388%0.88280%0.802SS**  trans-70.3164.6154.1-77.9-74.8000110.4
173P44.7Very low34.1Very low131 Ų131141.6 Ų141.685%0.85180%0.803SS**  cis-149.5171.436.442.1-21.4000119
174G30.4Very low34.8Very low73 Ų73141.1 Ų141.175%0.75380%0.802SS**  trans-166.775.9177.800000118
175K38.4Very low34.9Very low198 Ų198138.8 Ų138.886%0.86180%0.803SS**  trans0.7112.7157.3-62.6163.7-174.5171.50117.3
176K32.5Very low34.8Very low196 Ų196135.5 Ų135.585%0.85280%0.8SS**  83.6154.385.1-78.7-172.8175-170.40116.2
177I38.1Very low34.9Very low153 Ų153133.8 Ų133.879%0.78580%0.799SS**  trans88.896.9159.4-38.8-172.9000118.9
178T31.3Very low34.3Very low130 Ų130133.1 Ų133.180%0.79880%0.797SS**  trans47.4119.5133.1-47.50000122.1
179S32.3Very low34.7Very low120 Ų120136.1 Ų136.184%0.83980%0.804SS**  -170.8167.5105.4-156.70000114.5
180R35.9Very low34Very low236 Ų236137.5 Ų137.589%0.89181%0.811SS**  trans-84148.4-173.7-91.2171.3147.2-174.9-7.1115
181A32Very low34.3Very low91 Ų91138.9 Ų138.975%0.75281%0.813SS**  trans75.3130.313100000123.5
182A35Very low34.2Very low104 Ų104142.1 Ų142.186%0.8682%0.815SS**  trans72.8149.213900000120.5
183A38.2Very low34.2Very low93 Ų93136.8 Ų136.877%0.76981%0.808SS**  trans-95.4158.2-172.600000113.6
184P43.6Very low33.3Very low125 Ų125139.2 Ų139.281%0.81281%0.808SS**  trans-97.7168164.137.9-32.3000113
185V36.2Very low33.3Very low136 Ų136142.1 Ų142.182%0.82481%0.811SS**  trans-126.7155.4-179.3175.70000110.4
186C28.9Very low33.5Very low123 Ų123138.2 Ų138.283%0.83181%0.806SS**  trans70.8145.4175.8-780000116.6
187S29.8Very low33.3Very low100 Ų100136.2 Ų136.270%0.69980%0.804SS**  -170.7138.155.9-170.60000116
188S33.2Very low32.9Very low101 Ų101134.8 Ų134.871%0.70681%0.807SS**  trans42132.6137.1-40.10000124.5
189K34.7Very low32.6Very low206 Ų206135.9 Ų135.990%0.89681%0.808SS**  -167.9170127.3-104.2157.6-172.9175.60112.5
190T31.2Very low32.3Very low129 Ų129135.8 Ų135.879%0.79181%0.806SS**  trans-142.7175.3-158.237.50000114.8
191L31.3Very low32Very low160 Ų160130 Ų13084%0.83880%0.797SS**  trans92.6139174.2-56.8170.6000115
192Q27.7Very low32Very low179 Ų179134.6 Ų134.684%0.83680%0.803SS**  cis-135.61755.9-88-149.6-18.900114.5
193A31.9Very low31.9Very low88 Ų88139 Ų13973%0.72780%0.802SS**  trans-49.7179.9173.800000117.3
194E25.9Very low31.4Very low183 Ų183139.1 Ų139.186%0.85580%0.804SS**  cis-150.3161.611.6-155.8175.4154.700110.2
195V31.7Very low30.8Very low134 Ų134138.7 Ų138.781%0.81280%0.804SS**  trans-139.3121.7-169.1-176.10000113.9
196P42.8Very low30.7Very low116 Ų116140.6 Ų140.675%0.75380%0.801SS**  trans-102.5-176.4171.239.7-34.1000113.6
197L28.3Very low31.1Very low154 Ų154140.7 Ų140.781%0.80680%0.8SS**  trans-124.8165.1174.1-7377.3000111.3
198S28Very low31.1Very low122 Ų122140.9 Ų140.985%0.85380%0.797SS**  trans-163.2141.8135.7-78.20000111.9
199D25.7Very low30.9Very low153 Ų153142.4 Ų142.482%0.81881%0.808SS**  trans-77.6166.6174.2-52.5-97.1000113.2
200C26Very low30.5Very low119 Ų119138 Ų13880%0.80480%0.802SS**  156.6141.5112.9-166.10000114
201V30.6Very low30.6Very low115 Ų115138.5 Ų138.570%0.69781%0.806SS**  trans-70.7142.5176.6171.60000113
202Q31Very low30.5Very low187 Ų187139.3 Ų139.387%0.87481%0.805SS**  trans-157.4176.9142.2-116148.8108.400115
203K33.1Very low30.8Very low195 Ų195138.9 Ų138.985%0.84881%0.807SS**  trans-120.4175.9-156-67-174.5175-176.60114.4
204A28.8Very low30.6Very low96 Ų96143.6 Ų143.679%0.79382%0.816SS**  trans87152.9164.800000115.2
205S29.5Very low30.8Very low116 Ų116141.6 Ų141.681%0.81182%0.816SS**  cis-144.7165.79.4-47.10000112.4
206K34.2Very low31Very low177 Ų177145.1 Ų145.177%0.7782%0.821SS**  trans-82161.9161.4-53.7-175178.6-175.90110.1T208K206-T208 HydrophobicContact CD-CG2 4.19Å
207P37.4Very low30.5Very low124 Ų124145.2 Ų145.281%0.80582%0.819SS**  -126.4157.672.136.5-25.5000112.6
208T30.2Very low30.4Very low104 Ų104145.2 Ų145.264%0.63882%0.82SS**  cis61.498.928.151.30000118.4K206K206-T208 HydrophobicContact CD-CG2 4.19Å
209S28.4Very low30.5Very low134 Ų134146.7 Ų146.794%0.93782%0.815SS**  trans-123.4146.2138.8-77.70000108.7
210S27.4Very low30.7Very low112 Ų112149.3 Ų149.378%0.78382%0.815SS**  trans-153139-179.6177.10000109.2
211T33.1Very low30.7Very low141 Ų141152.6 Ų152.687%0.86582%0.818SS**  trans-109130-177.8-54.80000109.5
212Q28.9Very low30.6Very low176 Ų176153 Ų15382%0.82282%0.817SS**  trans-88.3151.3-177.5-65.9178.8-18.900112.2
213I33.7Very low30.5Very low171 Ų171153 Ų15388%0.87782%0.817SS**  trans-122139.5158.938.5174.1000108.4
214M28.8Very low30.8Very low186 Ų186153.1 Ų153.192%0.91682%0.817SS**  trans-93.4136.3-175.3-65.5-173.2-66.500111.7
215V29.9Very low30.8Very low142 Ų142154.7 Ų154.786%0.86182%0.817SS**  trans-111.6144.2163.1179.60000108.2
216K36.3Very low30.8Very low207 Ų207156.3 Ų156.390%0.982%0.816SS**  trans-122.9132.2-172-157.6171.8-174.91780111.4
217T31.2Very low30.5Very low118 Ų118156.7 Ų156.772%0.72482%0.818SS**  trans-100.8148.8-163.9-37.10000113.6
218N26.6Very low30.2Very low155 Ų155158.8 Ų158.883%0.82982%0.817SS**  trans169.8160.5144.4-91.3-16.1000109.1
219M30.6Very low30.3Very low152 Ų152159.3 Ų159.375%0.74982%0.82SS**  cis179.3137.2-38.6-118.3-13066.800105.1
220Y28.6Very low30.5Very low208 Ų208159.3 Ų159.382%0.81681%0.805SS**  trans-45.6149.3-174.4-70.7-97.1000118.4
221H26.6Very low30.7Very low188 Ų188159.7 Ų159.787%0.8781%0.806SS**  -145.2-179116.3-148.7-4.2000111.4
222N27.9Very low31.1Very low125 Ų125160.1 Ų160.167%0.66880%0.796SS**  trans-160.1128-164.1-177.9-32.6000110.1
223E29.3Very low31.3Very low185 Ų185159.6 Ų159.686%0.86480%0.799SS**  trans-164.4165.3152.7-123.2173.3-161.600113.4
224K38.8Very low31.3Very low198 Ų198161 Ų16186%0.86180%0.795SS**  trans-114.9130.6178.5-65.7176179.9175.50110.9
225V29.1Very low31.6Very low129 Ų129159.2 Ų159.278%0.78279%0.794SS**  trans-135.7138.4159.9-176.40000109.8F227V225-F227 HydrophobicContact CG1-CD2 4.1Å
226N30.4Very low31.9Very low151 Ų151161.8 Ų161.881%0.80779%0.794SS**  trans-109.3126174173.83.6000108.2
227F28.5Very low32.1Very low185 Ų185161.8 Ų161.881%0.81179%0.794SS**  trans-144.8137.6168.7-112.1-79000113.2V225V225-F227 HydrophobicContact CG1-CD2 4.1Å
228H31.1Very low32.4Very low167 Ų167161.1 Ų161.177%0.77380%0.8SS**  trans-92.4119.6175.2175.2-32.8000109.2
229V30.8Very low32.7Very low115 Ų115163.2 Ų163.270%0.69780%0.802SS**  trans-135.4136.1169-179.20000109.4
230E33.6Very low32.7Very low134 Ų134162.6 Ų162.663%0.62681%0.806SS**  trans-95.6113.7179.5-178-174.4-179.600110.1K232E230-K232 WeakPolarHBondContact OE1-CE 3.34Å; E230-K232 IonicContact OE1-NZ 2.6Å; E230-K232 PolarHBondContact OE1-NZ 2.98Å
231C30.4Very low33Very low120 Ų120160.5 Ų160.581%0.81180%0.801SS**  trans-115.6112.1171.5-72.50000110.4
232K41.2Very low33.9Very low151 Ų151158.9 Ų158.966%0.65780%0.797SS**  trans-104117.2168.8-74.5166.9172.9141.40108.4E230E230-K232 WeakPolarHBondContact OE1-CE 3.34Å; E230-K232 IonicContact OE1-NZ 2.6Å; E230-K232 PolarHBondContact OE1-NZ 2.98Å
233D34.2Very low34Very low164 Ų164158.4 Ų158.488%0.87780%0.795SS**  trans-135.5141.3165.5-110.8-47.9000112
234Y34Very low34.5Very low201 Ų201155.3 Ų155.379%0.78879%0.79SS**  trans-113.9111.5-169.7-75-94.5000111.5
235V34.1Very low34.1Very low149 Ų149152.7 Ų152.790%0.90379%0.791SS**  trans-108.2135.5165.7-174.50000110.4
236K36.5Very low34.4Very low196 Ų196154.5 Ų154.585%0.85279%0.791SS**  trans-91.2115.6-158.6-61159.2-173.3166.10111.5
237K40.6Very low34.7Very low207 Ų207155.4 Ų155.490%0.979%0.79SS**  trans-74.9128164.7-70.6-72.7-174.5178.80109.8
238A37.3Very low34.6Very low103 Ų103151.9 Ų151.985%0.85179%0.788SS**  trans-67.8145.7176.700000111.6
239K32.8Very low34.7Very low200 Ų200153.4 Ų153.487%0.8779%0.787SS**  trans-119.192.2-175.6-171.5170.8-175.5170.80111.2
240V31.2Very low35.1Very low139 Ų139154 Ų15484%0.84279%0.794SS**  trans-63.6133.5169.5179.20000108.9
241K35.4Very low35Very low164 Ų164153.4 Ų153.471%0.71379%0.794SS**  trans-116.7114.7-174.3-169.5-162.9-172.9-148.20110.6N243K241-N243 WeakPolarHBondContact CE-OD1 3.38Å; K241-N243 PolarHBondContact NZ-OD1 3.39Å
242I44Very low35.1Very low154 Ų154155.1 Ų155.179%0.7980%0.795SS**PPolyproline II helixtrans-101.9128.8167.9-41.8177.4000107P244I242-P244 WeakPolarHBondContact O-CD 3.35Å
243N30.3Very low34.5Very low115 Ų115152.4 Ų152.462%0.61580%0.795SS**PPolyproline II helixtrans-91.2120.3-178.3-66.8-41.8000110.8K241K241-N243 WeakPolarHBondContact CE-OD1 3.38Å; K241-N243 PolarHBondContact NZ-OD1 3.39Å
244P40Very low34.2Very low119 Ų119152.6 Ų152.677%0.77379%0.79SS**PPolyproline II helixtrans-82.1149.3164.333.6-33000111.2I242I242-P244 WeakPolarHBondContact O-CD 3.35Å
245V31.7Very low33.8Very low143 Ų143149.4 Ų149.487%0.86779%0.785SS**PPolyproline II helixtrans-94.9144.5173.6176.60000110.2
246Q34.8Very low33.5Very low168 Ų168150.4 Ų150.479%0.78578%0.78SS**  trans-124.3163.5177.9-80.1-167.2-18.100110.5
247Q35.4Very low33.1Very low170 Ų170146.5 Ų146.579%0.79477%0.772SS**  cis-107.5-10110.2-67.4178.49.300114
248S27.7Very low32.6Very low110 Ų110144.3 Ų144.377%0.76977%0.77SS**  cis-152.5148-1-67.90000110.9
249R33.7Very low32.3Very low199 Ų199143 Ų14375%0.75176%0.76SS**  trans-156.3155.2175-147-174.3-173.2178.35.3111.4
250P39.1Very low32.2Very low129 Ų129137.7 Ų137.784%0.83875%0.753SS**  -134.7-179.5121.737.8-28.2000113.6
251L31.1Very low32.4Very low121 Ų121139.2 Ų139.263%0.63475%0.749SS**  trans-145.7155.1-167.1-176.970.7000111.3
252L32.8Very low32.3Very low156 Ų156137.5 Ų137.582%0.81774%0.743SS**  trans71.3147.1175.3-110.766.6000114.6
253S27.5Very low31.7Very low94 Ų94136.3 Ų136.366%0.65774%0.739SS**  cis-155.6134.612.455.80000114.8
254Q27.9Very low31.7Very low167 Ų167137.1 Ų137.178%0.7875%0.747SS**  52.4129.9125.9-167.2170-7.800123
255I26.8Very low31.1Very low135 Ų135137.6 Ų137.669%0.69275%0.753SS**  trans91145.3149.4-88.3171.3000121.8
256H26.4Very low30.9Very low170 Ų170141 Ų14179%0.78775%0.751SS**  trans79.4173.8167.5-95.6-57.3000120.6
257T29.6Very low30.5Very low113 Ų113139.4 Ų139.469%0.69376%0.757SS**  trans-145.8157.3-132.647.30000113.7
258D29.4Very low30.2Very low161 Ų161134.7 Ų134.786%0.86176%0.755SS**  trans80.5164.9149.3-146.3-1.5000118.9
259A30.7Very low30.3Very low77 Ų77133.9 Ų133.964%0.63675%0.754SS**  trans61.187.5155.700000120.1
260A31.6Very low30.4Very low88 Ų88131.2 Ų131.273%0.72776%0.76SS**  64.5141.4108.100000122.8
261K35.6Very low30.1Very low170 Ų170129.2 Ų129.274%0.73975%0.754SS**  trans78.6112.8143.1-74.9167162.6-84.90121.4
262E32.9Very low30.1Very low129 Ų129132.9 Ų132.960%0.60377%0.765SS**  87.7145.3120.6-71.3174.7-135.500122.9
263N30.3Very low30.3Very low129 Ų129135.4 Ų135.469%0.6976%0.764SS**  trans70.5102.9151.3-61.4-34.3000121.6
264T30.4Very low30.6Very low131 Ų131137 Ų13780%0.80476%0.761SS**  42.5113.4106.4-49.30000119.1
265C27.2Very low30.7Very low130 Ų130134.5 Ų134.588%0.87875%0.749SS**  -163.2158.3116.7-149.80000113.8
266Y28Very low31.3Very low213 Ų213136.6 Ų136.684%0.83575%0.753SS**  trans-110.8132.2178.1175.9-83.1000109.5
267C26.6Very low31.7Very low135 Ų135136.2 Ų136.291%0.91275%0.749SS**  trans-159.9138.1156.8-102.10000110.9
268G28.4Very low31.7Very low72 Ų72133.4 Ų133.474%0.74274%0.743SS**  trans-128.6176.8176.500000111.9
269A31.4Very low31.7Very low92 Ų92133.5 Ų133.576%0.7674%0.74SS**  trans-127.8114.7-177.100000112.3
270V34.6Very low31.7Very low144 Ų144138.1 Ų138.187%0.87375%0.749SS**  trans26129.2146.1-75.90000119.6
271A32.2Very low32.5Very low87 Ų87138.4 Ų138.472%0.71974%0.743SS**  cis-161.6-162.68.500000109
272K32Very low32.3Very low198 Ų198137.4 Ų137.486%0.86175%0.745SS**  cis-156.9161.635.4-64.5172.3-173.2172.60113.7
273R37Very low32.2Very low209 Ų209140.2 Ų140.279%0.78976%0.758SS**  trans-11.5145.3148.4-66.3176.5168.8-111.64.9117.2
274Q33.2Very low32Very low128 Ų128137.1 Ų137.160%0.59876%0.757SS**  cis-169.2165.83-103.7170.8-86.300106.7
275E30.9Very low31.9Very low113 Ų113140 Ų14053%0.52876%0.761SS.*  cis179.9156.4-9.1169.7-178.9119.300110.5
276K39.4Very low31.9Very low179 Ų179138.2 Ų138.278%0.77876%0.755SS**  trans65.5138.5171.8-76.4150.2-175.1158.20116.4
277K34.9Very low31.9Very low162 Ų162134.3 Ų134.370%0.70475%0.753SS**  cis-168.5155.7-2.2-171.9-118.3-176.8-144.80108.2M279K277-M279 PolarHBondContact NZ-SD 3.13Å
278G30Very low32.9Very low55 Ų55133.5 Ų133.557%0.56775%0.747SS**  cis131.894.2-11.500000114.2
279M29.3Very low32.7Very low162 Ų162134.5 Ų134.580%0.79875%0.748SS**  trans168.798.9164-104.7149.967.600110.4K277K277-M279 PolarHBondContact NZ-SD 3.13Å
280E30.6Very low33.1Very low175 Ų175138.1 Ų138.182%0.81875%0.754SS**  30.7161.4114.6-79.3-144.6116.500123
281P48Very low33.1Very low94 Ų94137.5 Ų137.561%0.6175%0.753SS**  cis-149.7179.3-22.438.6-19000118.7
282L31.7Very low33Very low149 Ų149142.7 Ų142.778%0.7876%0.759SS**  trans81.8149.5137.4-94.6155.8000124.2
283Q30.3Very low33Very low188 Ų188141.1 Ų141.188%0.87975%0.753SS**  trans63.4144.8169.7-76.2175.2-43.600118.9
284G26.3Very low32.7Very low64 Ų64137.9 Ų137.966%0.6675%0.746SS**  cis165.2143.9-11.900000114.9
285H27.8Very low32.4Very low192 Ų192137.8 Ų137.889%0.88975%0.754SS**  trans64.4138.9165-74.4-90.4000122.3
286A27.3Very low32.7Very low92 Ų92140.7 Ų140.776%0.7677%0.768SS**  trans77.8128.8141.700000123.1
287T27.8Very low32.2Very low130 Ų130141.4 Ų141.480%0.79877%0.774SS**  trans-46.4172.4148.835.10000116.6
288P48Very low32.3Very low119 Ų119140.9 Ų140.977%0.77378%0.778SS**  cis-137.4-155-11.333.5-10.4000113.2
289A24.4Very low32.4Very low93 Ų93146 Ų14677%0.76979%0.792SS**  trans102.6131.6147.800000118.7
290L38.5Very low32.5Very low168 Ų168145.6 Ų145.688%0.8879%0.792SS**  trans-82.4158160.1-62.6171.1000109.2
291P34.8Very low32.4Very low131 Ų131142.4 Ų142.485%0.85179%0.789SS**  -132.7169.7116.237.8-30.7000113.3
292F30.3Very low32.5Very low195 Ų195144.2 Ų144.286%0.85580%0.801SS**  trans-123.4124.6-175.9-178.4-77.5000109.6
293K33.4Very low32.4Very low166 Ų166144.1 Ų144.172%0.72280%0.8SS**  trans-178.2129.5149.7-108.6171.8178.6-830113.3
294E30.1Very low33.3Very low141 Ų141140.5 Ų140.566%0.65979%0.793SS**  42.9125.7114.3-169177.2-151.700120
295T27.3Very low33.7Very low125 Ų125144.6 Ų144.677%0.76780%0.795SS**  176.8152.6116.8-68.80000110.3
296Q36Very low33.8Very low174 Ų174143.6 Ų143.681%0.81379%0.791SS**  trans-98.3150.7169.9-60.4173.8-2.100110.3
297E29.2Very low33.8Very low194 Ų194142.6 Ų142.691%0.90779%0.789SS**  trans-131.8157.3160-78-151.9141.500113.2
298L38.3Very low34.6Very low151 Ų151143 Ų14379%0.79180%0.795SS**  trans-119.9153.4-166.8-61.2159.5000110.3
299L30.3Very low33.6Very low164 Ų164141.2 Ų141.286%0.85980%0.797SS**  trans-156.6148.3151.8-66-176.9000108.7
300L31.8Very low33.9Very low153 Ų153142.2 Ų142.280%0.80180%0.799SS**  cis-165.3164-22.2-117.8-177.4000109.3
301S29.8Very low33.5Very low107 Ų107142.3 Ų142.375%0.74880%0.799SS**  trans-132.8153.8164.5-62.60000110.7
302P50.2Low33.4Very low133 Ų133140.9 Ų140.986%0.86480%0.798SS**  trans-112162.9169419000115.6
303L28.7Very low33.4Very low146 Ų146136.7 Ų136.776%0.76480%0.8SS**  trans-91.3173.3-175.9-141.677.5000113
304P48.5Very low33.2Very low113 Ų113132.5 Ų132.573%0.73480%0.804SS**  -132.5146.172.39.815.7000115.1
305Q34.7Very low33.4Very low150 Ų150134.7 Ų134.770%0.70181%0.814SS**  60.1135.696.6-94.5-173.9-7600116.2
306E29.6Very low33.7Very low171 Ų171134 Ų13480%0.79981%0.814SS**  cis-137.8-176.17.7-57.9-160.5112.900113.1
307G27.3Very low33.6Very low70 Ų70130.7 Ų130.772%0.72281%0.81SS**  trans-118.5-149.6170.800000112.2
308P45.5Very low33.7Very low140 Ų140126.2 Ų126.291%0.90980%0.801SS**  cis-127.7174.4-9.341.5-26.7000114
309G27.6Very low33.5Very low81 Ų81126.8 Ų126.884%0.83580%0.803SS**  trans-168.2141.3175.500000116
310S29.7Very low33.6Very low114 Ų114124.1 Ų124.180%0.79780%0.799SS**  trans-97.8152.1-168.9-98.60000115.9
311L30.3Very low33.5Very low169 Ų169121.2 Ų121.289%0.88580%0.796SS**  trans75148.9142.1-71.9166.7000122.7
312A32.1Very low33.5Very low101 Ų101121.6 Ų121.684%0.83580%0.799SS**  trans86148147.400000120.6
313A30.8Very low32.5Very low108 Ų108121.7 Ų121.789%0.89380%0.797SS**  trans-84163.8-179.300000112.6
314G30Very low32.5Very low77 Ų77120 Ų12079%0.79480%0.797SS**  trans-173.5131.8171.400000111.5
315E33.3Very low31.7Very low188 Ų188121.5 Ų121.588%0.87981%0.805SS**  trans-86.8165.5-173.7-62.2163.792.400113.6
316S34.8Very low31.5Very low109 Ų109120 Ų12076%0.76281%0.811SS**  trans93.6136.7139.382.60000121.9
317S32.5Very low31.5Very low105 Ų105119.1 Ų119.173%0.73481%0.811SS**  trans75.1120.6137-670000123.5
318S31.6Very low31.7Very low101 Ų101120.3 Ų120.371%0.70681%0.809SS**  95.4102.9127.967.90000121.5
319L34.3Very low31Very low163 Ų163118.6 Ų118.685%0.85380%0.8SS**  69.3132.8121.2-65.4174.5000122.3
320S32.2Very low31.2Very low108 Ų108124.1 Ų124.176%0.75580%0.804SS**  trans87.796.1142.2-63.30000121.4
321A29.3Very low31.4Very low91 Ų91128.9 Ų128.975%0.75281%0.81SS**  91.5135.9114.300000121.6
322S29.8Very low31.7Very low116 Ų116128.9 Ų128.981%0.81180%0.803SS**  trans71.299.6148.1-58.20000120.9
323T30.5Very low31.9Very low134 Ų134132.5 Ų132.582%0.82280%0.803SS**  trans-151.7114.4131.735.90000112.1
324S28.8Very low32.4Very low110 Ų110134.3 Ų134.377%0.76979%0.793SS**  trans20.6125.1140.555.80000120.9
325V31.1Very low32.8Very low146 Ų146139.2 Ų139.289%0.88580%0.795SS**  trans-111.4159.2158.8-71.40000111.5
326S30.9Very low33.3Very low119 Ų119136.2 Ų136.283%0.83279%0.785SS**  trans-156.7149.4177.6-56.90000108
327D29.8Very low33.3Very low151 Ų151142.2 Ų142.281%0.80779%0.792SS**  cis-164.8170-15.8176.738.5000108.1
328S30Very low33.6Very low95 Ų95141.6 Ų141.666%0.66479%0.788SS**  trans74148167.11210000116.3
329S31.1Very low33.7Very low104 Ų104143.8 Ų143.873%0.72779%0.791SS**  cis-148.51411-85.20000110.9
330Q33.5Very low33.6Very low197 Ų197145.5 Ų145.592%0.92179%0.792SS**  trans-128.5134.2154-77-167.8-5000109.4
331K32.8Very low33.8Very low214 Ų214146.9 Ų146.993%0.9380%0.795SS**  trans-89.4129.6169.6-68.6-174.5176.5-173.50109.4
332K37.4Very low34.1Very low169 Ų169147.1 Ų147.174%0.73579%0.792SS**  trans-138.5147.2151.761.2-167.2-177.285.90108.6E334K332-E334 IonicContact NZ-OE1 2.68Å; K332-E334 PolarHBondContact NZ-OE1 3.08Å; K332-E334 IonicContact NZ-OE2 3.17Å
333E36.2Very low34.3Very low178 Ų178148.8 Ų148.883%0.83279%0.791SS**  trans-113.8110.9-163.9-175.5167.8178.800108
334E41.5Very low34.4Very low146 Ų146149.4 Ų149.468%0.68279%0.79SS**  trans-125.9126.3-174.8-77.4166.2-147.200108.9K332K332-E334 IonicContact NZ-OE1 2.68Å; K332-E334 PolarHBondContact NZ-OE1 3.08Å; K332-E334 IonicContact NZ-OE2 3.17Å
335H37.6Very low34.7Very low179 Ų179152.7 Ų152.783%0.82980%0.798SS**  trans-78.3143.1-175.3-75.6-89.9000111.7
336N44.5Very low34.7Very low125 Ų125148.5 Ų148.567%0.66879%0.785SS**  trans-67.4146.8177.4-125.3-98.8000111.4
337Y33.3Very low34.8Very low235 Ų235152.6 Ų152.692%0.92279%0.79SS**  -148.6148107.6-96.2-67.5000110.6
338S38.8Very low35Very low93 Ų93154.1 Ų154.165%0.6579%0.793SS**  trans-122.8133.2-174.6175.20000110.4
339L33.8Very low35.8Very low146 Ų146154.2 Ų154.276%0.76479%0.791SS**  trans-163.4105.2161-119.9165.7000110
340F33.8Very low35.7Very low200 Ų200156.4 Ų156.488%0.87780%0.8SS**  -172.8151.7128.8-87.8-56.5000108.8
341V35.7Very low35.6Very low136 Ų136156.6 Ų156.682%0.82480%0.798SS**  trans-104.6149.1-173176.60000110.1
342S34.4Very low35.2Very low96 Ų96152.8 Ų152.867%0.67180%0.797SS**  trans-51.6150.1174.6-40.50000113.2
343D34.5Very low34.7Very low151 Ų151149.5 Ų149.581%0.80780%0.795SS**  -161.9173.196.5-119.3-35.1000114.4
344N32Very low35.3Very low147 Ų147145.3 Ų145.379%0.78678%0.783SS**  trans-99.5145.8-176.6-58.1-102000111.6
345L35.1Very low34.8Very low179 Ų179145.6 Ų145.694%0.93778%0.784SS**  trans168.8147.9133-176.861000111.8
346G31.3Very low34.6Very low59 Ų59144.1 Ų144.161%0.60878%0.778SS**  trans106.794.4145.300000119
347E33.9Very low34.2Very low204 Ų204144.1 Ų144.195%0.95378%0.778SS**  trans40.2145.3135.5-57.6-173.9132.600123.7
348Q33.7Very low34.4Very low184 Ų184140.6 Ų140.686%0.8677%0.77SS**  trans-95.8-175.8170.9-74.3-142.226.200111.3
349P47Very low34.2Very low96 Ų96143.3 Ų143.362%0.62377%0.772SS**  cis-133.3169.6-48.836.2-22.8000112.4
350T29.2Very low34.5Very low150 Ų150142.7 Ų142.792%0.9277%0.77SS**  trans-166.7168.4138.64.30000114.4
351K30.5Very low34.7Very low202 Ų202141 Ų14188%0.87877%0.765SS**  trans-90.5145.9176.3-48.3167.9-178175.60110.6
352C25.3Very low34.9Very low134 Ų134144.1 Ų144.191%0.90577%0.77SS**  -160.4178.7118.6-147.40000110.9
353S25.9Very low35.1Very low99 Ų99145.9 Ų145.969%0.69277%0.772SS**  trans-149.4177.2-176-166.10000106.9
354P49.6Very low35.4Very low91 Ų91144 Ų14459%0.59177%0.766SS**  cis-111.9-130.6-45.726.6-3.5000108.4
355E31.1Very low36.2Very low151 Ų151144.4 Ų144.471%0.70677%0.768SS**  trans74140.2158.7-68.3151.5-140.400116.1
356E33.3Very low36.6Very low148 Ų148142.9 Ų142.969%0.69276%0.761SS**  cis-164.3171.3-11.7-124.9162.2-170.600109.4
357D35.8Very low37.9Very low125 Ų125148.8 Ų148.867%0.66877%0.773SS**  trans59.6-179.5152.6-57-14.9000118.6
358E38.2Very low38.7Very low161 Ų161146 Ų14675%0.75276%0.764SS**  cis-156.8166.9-35.6-102.7171.3163.600104.5
359E35Very low39.4Very low150 Ų150145.2 Ų145.270%0.70176%0.76SS**  cis-154.6172.78.5-132.7173.2166.700107.1
360D39.2Very low39.4Very low134 Ų134148.2 Ų148.272%0.71777%0.771SS**  trans65.5131152.9-62-10.9000122.7
361E37.4Very low40.3Very low164 Ų164149 Ų14977%0.76676%0.764SS**  cis91.8114.440.3-70.3-83-152.800114.3
362E39.8Very low41Very low201 Ų201142.9 Ų142.994%0.93976%0.759SS**  trans-163.7157.8135.9-121.7177.8-158.600110.9
363D39.2Very low41.5Very low134 Ų134146.4 Ų146.472%0.71776%0.759SS**  trans-119.7161.2-142.8-151.9-1.6000114.5
364V41Very low42Very low111 Ų111145.1 Ų145.167%0.67376%0.762SS**  trans41.1129.7165.9-65.90000122.6
365D49.2Very low41.4Very low156 Ų156145.3 Ų145.383%0.83477%0.765SS**  -147.3135.3121.4-151.7-0.7000109.6
366D43.4Very low41.8Very low146 Ų146146.3 Ų146.378%0.78177%0.77SS**  trans-116.8103.3-172.2-82.9-47000110.7
367E59.1Low41.9Very low184 Ų184146.7 Ų146.786%0.8677%0.771SS**  trans-128.799.6168.1-81.5-161.4146.600113.4
368D49.3Very low42.2Very low144 Ų144150 Ų15077%0.7778%0.783SS**  trans34.7109.4148.9-73.6-25000122.1
369H49.1Very low42Very low169 Ų169148.4 Ų148.478%0.78278%0.779SS**  32.5106.9124.3-73.2-76.9000120.4
370D45.9Very low41.9Very low158 Ų158146.6 Ų146.685%0.84578%0.782SS**  trans-140.1134.2131.1-1665.2000110.1G372D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.45Å
371E50Low41.5Very low166 Ų166148.4 Ų148.478%0.77679%0.787SS**  trans-8762.5-176.1-71.6-166.9174.800111.7F373E371-F373 PolarHBondContact O-N 2.85Å
372G43.7Very low41.2Very low75 Ų75146.6 Ų146.677%0.77378%0.782SS**  trans-71.457.3175.600000114.3D370 G374D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.45Å; G372-G374 PolarHBondContact O-N 3.11Å
373F36.9Very low41.1Very low207 Ų207145.2 Ų145.291%0.90878%0.776SS**  trans-68.6123.7-174.6-143.9-82.1000112.4E371E371-F373 PolarHBondContact O-N 2.85Å
374G36.6Very low40.9Very low72 Ų72146.8 Ų146.874%0.74278%0.779SS**  trans144.569.1168.100000116.6G372G372-G374 PolarHBondContact O-N 3.11Å
375S37.2Very low40.6Very low95 Ų95149.3 Ų149.366%0.66478%0.783SS**  trans-85.1154.4161.5710000111.9
376E37.6Very low40Very low173 Ų173151.3 Ų151.381%0.80879%0.788SS**  trans26.2115.3157.271.6-140.5118.100121.1
377H35.4Very low39.5Very low155 Ų155152.9 Ų152.972%0.71879%0.79SS**  -173.7102.7123.9-173.5-107.4000111.7L379H377-L379 PolarHBondContact O-N 3.32Å; H377-L379 VanDerWaalsContact O-N 3.1Å
378E43.6Very low38.5Very low195 Ų195153.5 Ų153.591%0.91179%0.793SS**  trans-77.686.9171.4-73-166.9146.300111.9
379L34Very low37.9Very low128 Ų128155.9 Ų155.967%0.6780%0.8SS**  trans-151.5140.5154.4-76.1-174.6000113.7H377H377-L379 PolarHBondContact O-N 3.32Å; H377-L379 VanDerWaalsContact O-N 3.1Å
380S32.3Very low37.2Very low111 Ų111156.1 Ų156.178%0.77680%0.801SS**  trans74.1157.4150.459.40000121.1
381E30.5Very low37.1Very low172 Ų172154.7 Ų154.780%0.80479%0.794SS**  trans73.494.7160.9-136.7126.6-100.800117.9
382N30.9Very low36.8Very low126 Ų126156.5 Ų156.567%0.67480%0.795SS**  trans-126.384148.1-163.467.9000107.3E384N382-E384 PolarHBondContact ND2-OE1 3.1Å; N382-E384 PolarHBondContact O-N 3.48Å
383E38Very low36.9Very low173 Ų173161.6 Ų161.681%0.80880%0.798SS**  trans-81.898.1167.4-175.9161.6-128.600106.3
384E36.1Very low37.4Very low166 Ų166158.9 Ų158.978%0.77679%0.793SS**  trans-94.9116.4-170.9-151.9159.1-106.400110.3N382N382-E384 PolarHBondContact ND2-OE1 3.1Å; N382-E384 PolarHBondContact O-N 3.48Å
385E34.5Very low37.8Very low165 Ų165161.3 Ų161.377%0.77179%0.789SS**  trans-83.5136.2-174.8-61.2171.7135.100111.4
386E36Very low38.5Very low198 Ų198164.1 Ų164.193%0.92579%0.79SS**  trans-121.785.4158.6-78.1-170.9150.300108.2
387E33.3Very low39.1Very low179 Ų179163 Ų16384%0.83679%0.789SS**  trans-84.3116160.8-63.6-159.7139.100108.6
388E38.3Very low39.9Very low197 Ų197163.4 Ų163.492%0.92180%0.796SS**  trans-90.3132.2166.9-76.3-167.913800110
389E35.2Very low40.1Very low193 Ų193161.2 Ų161.290%0.90279%0.791SS**  trans-72136.9-173.9-55169.5134.400112.6
390E35.2Very low40.9Very low175 Ų175162.8 Ų162.882%0.81880%0.799SS**  trans-114.892.2158.4-79.2-160.415100110.4
391D44Very low41.5Very low128 Ų128162.4 Ų162.468%0.68480%0.796SS**  trans-66.6119.3167.2165.234.5000111.4
392Y42.8Very low42.4Very low203 Ų203160.9 Ų160.980%0.79679%0.793SS**  trans-145.2113161.7-76.6-69.9000111.3
393E46.3Very low42.8Very low182 Ų182160.4 Ų160.485%0.8580%0.795SS**  trans-44.8144.5179.5-69.5-87.4-145.700116
394D48.5Very low43.1Very low151 Ų151159.3 Ų159.381%0.80779%0.788SS**  trans-86.1132.9167.7177.832.2000111.3
395D43.2Very low43.4Very low122 Ų122156.7 Ų156.765%0.65279%0.788SS**  trans-166.4101.7160.5-169.10.5000109.2
396K52Low43.6Very low155 Ų155156.1 Ų156.167%0.67479%0.785SS**  trans168.9105.1133.8-88.3-71.6153.9-830112.2
397D50.8Low44.5Very low150 Ų150152.5 Ų152.580%0.80278%0.779SS**  trans-60.4151.3154.6-52.9-80.3000111.5
398D52.4Low44.5Very low162 Ų162147.9 Ų147.987%0.86678%0.78SS**  trans-165.6129.3138.7-102.2-30.7000110.1
399D47.8Very low44.5Very low150 Ų150147.8 Ų147.880%0.80277%0.772SS**  trans-42.8134.8-161.4-79.3-50.2000119.7S401D399-S401 PolarHBondContact O-N 3.13Å
400I51.3Low44.5Very low161 Ų161147.4 Ų147.483%0.82677%0.77SS**  trans-65.3107.8149.9171.1171.9000109.8
401S44.3Very low44.5Very low102 Ų102144.2 Ų144.271%0.71376%0.759SS**  trans-112.996.5162.145.20000110.3D399 T403D399-S401 PolarHBondContact O-N 3.13Å; S401-T403 PolarHBondContact O-N 2.9Å
402D48.3Very low44Very low140 Ų140145.2 Ų145.275%0.74976%0.764SS**  trans-67.5126.9168.1-169.9-1.5000109
403T40.5Very low43.7Very low116 Ų116139.7 Ų139.771%0.71276%0.755SS**  trans-145.878.4174.9-58.70000109.7S401 S405S401-T403 PolarHBondContact O-N 2.9Å; T403-S405 PolarHBondContact O-N 3.26Å
404F43.9Very low43.4Very low150 Ų150136.9 Ų136.966%0.65875%0.75SS**  trans-31.7128.4157.8-162.7-94.7000112.8E406F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-E406 HydrophobicContact CE1-CB 4.26Å; F404-E406 HydrophobicContact CE1-CG 3.57Å; F404-E406 HydrophobicContact CZ-CG 3.69Å
405S43.5Very low42.9Very low111 Ų111137.9 Ų137.978%0.77675%0.75SS**  trans-151.2105.2167.8-770000109.2T403T403-S405 PolarHBondContact O-N 3.26Å
406E38.2Very low42.6Very low153 Ų153138.8 Ų138.872%0.71576%0.755SS**PPolyproline II helixtrans-73.3164.5-177.5-98.7179.7148.700113.3F404F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-E406 HydrophobicContact CE1-CB 4.26Å; F404-E406 HydrophobicContact CE1-CG 3.57Å; F404-E406 HydrophobicContact CZ-CG 3.69Å
407P53.5Low41.9Very low122 Ų122137.6 Ų137.679%0.79276%0.755SS**PPolyproline II helixtrans-78.5132.6-161.529.7-35.7000114.4
408G33.7Very low41.3Very low83 Ų83138 Ų13886%0.85675%0.75SS**PPolyproline II helixtrans-82.9121.1164.900000111.7
409Y39.9Very low40.4Very low194 Ų194137.5 Ų137.576%0.76174%0.743SS**PPolyproline II helixtrans-89.9131.8174.2170.2-76.9000110.2
410E35.1Very low39.9Very low186 Ų186137.4 Ų137.487%0.86974%0.739SS**  trans-159.9117.1153-123.8169-141.200114.5
411N34.4Very low39.4Very low107 Ų107135 Ų13557%0.57273%0.732SS**  trans26.9118.5147.7-89.950.2000124.5
412D32.5Very low38.8Very low149 Ų149135.5 Ų135.580%0.79774%0.735SS**  84.2161103.9-156.918.4000121.7
413S37.7Very low38.7Very low87 Ų87137 Ų13761%0.60874%0.741SS**  trans89.789.1162.7-167.50000121.5
414V39.2Very low38.4Very low124 Ų124137.2 Ų137.275%0.75275%0.748SS**  trans65.4129.9136.9-46.60000123.7
415E39.4Very low38Very low172 Ų172134.5 Ų134.580%0.80475%0.747SS**  15.7119.4129-97.864.6-159.400121.7
416D36.2Very low38.3Very low140 Ų140141.5 Ų141.575%0.74976%0.757SS**  125.2151.6110.8-159.428.6000118.4
417L37.5Very low38.6Very low131 Ų131143.5 Ų143.569%0.68676%0.763SS**  trans6883.8152.9-128.360.5000120.3
418K38.3Very low38.6Very low157 Ų157149.8 Ų149.868%0.68377%0.771SS**  58.7137.2110.4-174.9172.1176.1-76.40119.7
419E33.5Very low39.6Very low153 Ų153149.5 Ų149.572%0.71577%0.769SS**  trans68.9150.9172.4-84.1172.2102.300115.3
420M37Very low40.5Very low148 Ų148149.4 Ų149.473%0.72977%0.772SS**  cis-153.5148-11176.656.1155.700108.8
421T40.3Very low41.8Very low110 Ų110151.5 Ų151.568%0.67577%0.772SS**  trans-3.6123.1175.554.40000120
422S31.9Very low43.7Very low112 Ų112152 Ų15278%0.78377%0.766SS**  trans-162107.4140.8-90.40000116.2S424S422-S424 PolarHBondContact O-N 3.41Å
423I47.1Very low45.7Very low171 Ų171152.5 Ų152.588%0.87776%0.758SS**  trans20.179.5136.5-35.4176.2000118
424S33.8Very low46.9Very low121 Ų121155.5 Ų155.585%0.84676%0.76SS**  trans-166.1152.4157.2-97.60000111.9S422S422-S424 PolarHBondContact O-N 3.41Å
425S34.8Very low48.4Very low93 Ų93158.6 Ų158.665%0.6576%0.758SS**  cis-147.5153.4-9.462.90000110.1K427S425-K427 PolarHBondContact O-N 2.86Å; S425-K427 VanDerWaalsContact O-N 3.12Å
426R50.2Low49.6Very low259 Ų259154.2 Ų154.298%0.97774%0.738SS**  trans-83.281.4-179.3-67.2-175.8-175.2171.52.4112.3
427K45.1Very low51Low194 Ų194153.5 Ų153.584%0.84373%0.725SS**  trans-93.997.3162.9-81.4-172.2174.2-179.40111.2S425S425-K427 PolarHBondContact O-N 2.86Å; S425-K427 VanDerWaalsContact O-N 3.12Å
428R53.6Low52Low254 Ų254151.8 Ų151.896%0.95873%0.725SS**  trans-63137.5154.8-74.2-176.1171.9-162.5-1.4107.5
429G54Low52.6Low78 Ų78152.2 Ų152.280%0.80473%0.729SS**  trans166.5-13.3179.400000117.5
430K59.8Low53.5Low191 Ų191150.6 Ų150.683%0.8372%0.721SS**  trans-107.1124.7168.3-131.175.1174.8-1770109.3R432K430-R432 PolarHBondContact O-N 3.43Å
431R62.3Low54Low231 Ų231150.4 Ų150.487%0.87272%0.722SS**  trans-75.8101.3172.1-173.2-174.7-166.8-160.66.9106.8Y433R431-Y433 PolarHBondContact O-N 2.84Å
432R72.9Confident54.1Low116 Ų116150.8 Ų150.844%0.43873%0.725SS.*  trans-62.3131.3-175.4-72.2-163.5-66.6-92.34.6111.4K430 E436 Y437K430-R432 PolarHBondContact O-N 3.43Å; R432-E436 WeakPolarHBondContact CA-OE2 3.25Å; R432-E436 HydrophobicContact CB-CB 4.44Å; R432-E436 WeakPolarHBondContact CB-OE2 3.33Å; R432-E436 VanDerWaalsContact CG-OE2 3.24Å; R432-E436 WeakPolarHBondContact CG-OE2 3.45Å; R432-Y437 HydrophobicContact CB-CE2 3.83Å
433Y75.9Confident54.5Low161 Ų161150.9 Ų150.963%0.63172%0.723SS**  trans-72.4150.8172-60.7-74.2000109.5R431 W435 E436R431-Y433 PolarHBondContact O-N 2.84Å; Y433-W435 PolarHBondContact O-N 3.46Å; Y433-W435 VanDerWaalsContact O-N 3.08Å; Y433-E436 WeakPolarHBondContact CD2-OE1 3.34Å; Y433-E436 PolarHBondContact N-OE2 3.24Å; Y433-E436 WeakPolarHBondContact O-CB 3.25Å; Y433-E436 PolarHBondContact O-N 2.87Å
434F63.2Low54.2Low149 Ų149147.8 Ų147.865%0.65472%0.717SS**G310 helixtrans-62.5-26.3-169.7106.6-104.8000113.2E436 Y437F434-E436 VanDerWaalsContact C-N 3.27Å; F434-E436 PolarHBondContact O-N 2.85Å; F434-Y437 WeakPolarHBondContact O-CD2 3.49Å; F434-Y437 PolarHBondContact O-N 3.02Å
435W69.1Low54.5Low190 Ų190151.2 Ų151.272%0.7272%0.719SS**G310 helixtrans-62.8-28.7174.2-31.5105000113.5Y433 Y437Y433-W435 PolarHBondContact O-N 3.46Å; Y433-W435 VanDerWaalsContact O-N 3.08Å; W435-Y437 PolarHBondContact O-N 3.47Å
436E65.9Low54.9Low80 Ų80154.3 Ų154.337%0.37472%0.723SS.*G310 helixtrans-76.61-177.2-58.6175.4171.600113.5R432 Y433 F434R432-E436 WeakPolarHBondContact CA-OE2 3.25Å; R432-E436 HydrophobicContact CB-CB 4.44Å; R432-E436 WeakPolarHBondContact CB-OE2 3.33Å; R432-E436 VanDerWaalsContact CG-OE2 3.24Å; R432-E436 WeakPolarHBondContact CG-OE2 3.45Å; Y433-E436 WeakPolarHBondContact CD2-OE1 3.34Å; Y433-E436 PolarHBondContact N-OE2 3.24Å; Y433-E436 WeakPolarHBondContact O-CB 3.25Å; Y433-E436 PolarHBondContact O-N 2.87Å; F434-E436 VanDerWaalsContact C-N 3.27Å; F434-E436 PolarHBondContact O-N 2.85Å
437Y64.1Low54.5Low124 Ų124149.9 Ų149.949%0.48671%0.714SS.*G310 helixtrans-86-18.9-179.2-77-106.9000113.3R432 F434 W435 E439R432-Y437 HydrophobicContact CB-CE2 3.83Å; F434-Y437 WeakPolarHBondContact O-CD2 3.49Å; F434-Y437 PolarHBondContact O-N 3.02Å; W435-Y437 PolarHBondContact O-N 3.47Å; Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.4Å
438S60.4Low54.4Low96 Ų96150 Ų15067%0.67171%0.709SS**G310 helixtrans-66.6-30.8-177.2-560000113.6Q440S438-Q440 VanDerWaalsContact C-N 3.32Å; S438-Q440 PolarHBondContact O-N 2.88Å
439E49.7Very low53.5Low165 Ų165145.5 Ų145.577%0.77170%0.701SS**G310 helixtrans-71.8-24.5-175.2-168.6176.2-138.100113.3Y437Y437-E439 VanDerWaalsContact C-N 3.33Å; Y437-E439 PolarHBondContact O-N 3.4Å
440Q52.8Low53.2Low119 Ų119149.2 Ų149.256%0.55670%0.701SS**G310 helixtrans-94.13.8-176.5-71.1164.742.700113.4S438S438-Q440 VanDerWaalsContact C-N 3.32Å; S438-Q440 PolarHBondContact O-N 2.88Å
441L47.2Very low52.8Low144 Ų144150.4 Ų150.475%0.75470%0.701SS**  trans-133.546.9-179.8-69.2176.6000111.7P443L441-P443 WeakPolarHBondContact O-CD 3.47Å
442T43Very low51.9Low119 Ų119144.9 Ų144.973%0.7369%0.694SS**  trans-63.4112.3153.241.40000107.8S444T442-S444 PolarHBondContact O-N 3.24Å
443P39.2Very low51Low113 Ų113143 Ų14373%0.73470%0.699SS**  trans-65.7125.7172.428.7-32.3000106.9L441 Q445L441-P443 WeakPolarHBondContact O-CD 3.47Å; P443-Q445 PolarHBondContact O-N 2.79Å; P443-Q445 VanDerWaalsContact O-N 3.08Å
444S40.8Very low49.8Very low107 Ų107143.2 Ų143.275%0.74871%0.706SS**  trans-59.5121.7172.1490000108.1T442 Q446T442-S444 PolarHBondContact O-N 3.24Å; S444-Q446 PolarHBondContact O-N 2.62Å
445Q41.1Very low49.1Very low192 Ų192144.2 Ų144.290%0.89771%0.706SS**  trans-7075172.8-74.7179.3-31.200108.7P443 E447P443-Q445 PolarHBondContact O-N 2.79Å; P443-Q445 VanDerWaalsContact O-N 3.08Å; Q445-E447 PolarHBondContact O-N 3.27Å
446Q42.1Very low48.2Very low158 Ų158140.3 Ų140.374%0.73870%0.699SS**  trans-6495.3150.7-79.8-164.5-2200106.4S444 R448S444-Q446 PolarHBondContact O-N 2.62Å; Q446-R448 PolarHBondContact O-N 2.89Å
447E42.4Very low47.6Very low167 Ų167143.3 Ų143.378%0.7871%0.706SS**  trans-60.676.5167.7-170.4-174.6-173.800109Q445 M449Q445-E447 PolarHBondContact O-N 3.27Å; E447-M449 PolarHBondContact O-N 3.5Å
448R44.2Very low47.2Very low196 Ų196142 Ų14274%0.7471%0.708SS**  trans-71.887.1172.5-177.6-171-59.6138.17.6106.4Q446 L450Q446-R448 PolarHBondContact O-N 2.89Å; R448-L450 PolarHBondContact O-N 3.36Å
449M34.1Very low47.1Very low160 Ų160141.2 Ų141.279%0.78870%0.699SS**  trans-41.6107174.7-61.7-173.895.500109E447 R451E447-M449 PolarHBondContact O-N 3.5Å; M449-R451 PolarHBondContact O-N 3.41Å; M449-R451 VanDerWaalsContact O-N 3.14Å
450L48.2Very low47.5Very low156 Ų156136.4 Ų136.482%0.81768%0.679SS**PPolyproline II helixtrans-68.9117-179.6-67177.5000106.7R448R448-L450 PolarHBondContact O-N 3.36Å
451R51.2Low47.5Very low216 Ų216134 Ų13482%0.81567%0.673SS**PPolyproline II helixtrans-53.9137.9168.4-68.5-72.5-66.5-175.1-1.1107.6M449 S453M449-R451 PolarHBondContact O-N 3.41Å; M449-R451 VanDerWaalsContact O-N 3.14Å; R451-S453 PolarHBondContact O-N 2.88Å
452P41.6Very low47.7Very low114 Ų114129.8 Ų129.874%0.7466%0.656SS**PPolyproline II helixtrans-46.1127.9176.4-30.436.1000110.5E454P452-E454 PolarHBondContact O-N 2.95Å
453S55.3Low48.3Very low77 Ų77125.9 Ų125.954%0.53863%0.631SS.*  trans-71.7104.7-167.2-171.80000110.6R451 W455R451-S453 PolarHBondContact O-N 2.88Å; S453-W455 VanDerWaalsContact C-N 3.26Å; S453-W455 PolarHBondContact O-N 3.02Å
454E50.7Low49Very low165 Ų165126.2 Ų126.277%0.77162%0.624SS**  trans-70.186.8165.2-71.7172.7-149.600108.6P452 N456P452-E454 PolarHBondContact O-N 2.95Å; E454-N456 PolarHBondContact O-N 2.77Å
455W47.5Very low49.5Very low171 Ų171128.4 Ų128.465%0.64862%0.617SS**  trans-68.174.7176-66.694.4000111S453 L460 P461S453-W455 VanDerWaalsContact C-N 3.26Å; S453-W455 PolarHBondContact O-N 3.02Å; W455-L460 HydrophobicContact CE3-CD2 4.04Å; W455-P461 HydrophobicContact CZ3-CG 4.35Å
456N51.8Low49.9Very low107 Ų107124.2 Ų124.257%0.57260%0.597SS**  trans-72.1158.4174-151-49.9000110.6E454 D458 T459 L460E454-N456 PolarHBondContact O-N 2.77Å; N456-D458 PolarHBondContact O-N 2.92Å; N456-D458 VanDerWaalsContact O-N 3.09Å; N456-T459 PolarHBondContact N-OG1 2.95Å; N456-T459 VanDerWaalsContact N-OG1 3.12Å; N456-T459 PolarHBondContact O-N 3.07Å; N456-T459 PolarHBondContact O-OG1 3.45Å; N456-T459 VanDerWaalsContact O-OG1 3.14Å; N456-L460 PolarHBondContact O-N 3.34Å
457R53.5Low50.1Low143 Ų143123.1 Ų123.154%0.5459%0.59SS.*THydrogen-bonded Turntrans-56-33.3-177.3-168.8-178-174.7-147.73.1112.4N463 Y560R457-N463 PolarHBondContact O-ND2 3.48Å; R457-Y560 PolarHBondContact NE-OH 2.86Å; R457-Y560 PolarHBondContact NH2-OH 2.68Å
458D55.2Low50.3Low96 Ų96120.2 Ų120.251%0.51358%0.58SS.*THydrogen-bonded Turntrans-85.7-12.6-178.7-87.533.1000114.5N456 K467N456-D458 PolarHBondContact O-N 2.92Å; N456-D458 VanDerWaalsContact O-N 3.09Å; D458-K467 IonicContact OD2-NZ 2.92Å; D458-K467 PolarHBondContact OD2-NZ 3.2Å
459T57.9Low50.6Low81 Ų81113.2 Ų113.250%0.49757%0.568SS.*THydrogen-bonded Turntrans-101.4-2178.136.30000114.1N456N456-T459 PolarHBondContact N-OG1 2.95Å; N456-T459 VanDerWaalsContact N-OG1 3.12Å; N456-T459 PolarHBondContact O-N 3.07Å; N456-T459 PolarHBondContact O-OG1 3.45Å; N456-T459 VanDerWaalsContact O-OG1 3.14Å
460L58.6Low51.2Low64 Ų64113 Ų11334%0.33557%0.569SS.*SBendtrans-61.4129.2169.1-73.2167.6000111W455 N456 S462 N463 M464W455-L460 HydrophobicContact CE3-CD2 4.04Å; N456-L460 PolarHBondContact O-N 3.34Å; L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.41Å; L460-N463 HydrophobicContact CB-CB 4.4Å; L460-N463 PolarHBondContact O-N 3.46Å; L460-M464 PolarHBondContact O-N 3.04Å
461P51.6Low50.9Low67 Ų67113.6 Ų113.644%0.43557%0.568SS.*Hα-helixtrans-55.1-36.1-179-30.835.6000114.6W455 N463 M464 Y465W455-P461 HydrophobicContact CZ3-CG 4.35Å; P461-N463 PolarHBondContact O-N 3.15Å; P461-M464 PolarHBondContact O-N 3.09Å; P461-Y465 WeakPolarHBondContact O-CD2 3.39Å; P461-Y465 PolarHBondContact O-N 3.15Å
462S52.7Low50.7Low56 Ų56110.2 Ų110.239%0.39256%0.561SS.*Hα-helixtrans-53.4-40.6173.1520000112.3L460 Y465 Q466L460-S462 VanDerWaalsContact C-N 3.27Å; L460-S462 PolarHBondContact O-N 3.41Å; S462-Y465 PolarHBondContact O-N 3.45Å; S462-Q466 WeakPolarHBondContact O-CG 3.45Å; S462-Q466 PolarHBondContact O-N 2.9Å
463N55.4Low50.6Low38 Ų38107.6 Ų107.620%0.20356%0.555CS.*Hα-helixtrans-86.4-24.2-170.5-57.2-1000110.5R457 L460 P461 Q466 K467R457-N463 PolarHBondContact O-ND2 3.48Å; L460-N463 HydrophobicContact CB-CB 4.4Å; L460-N463 PolarHBondContact O-N 3.46Å; P461-N463 PolarHBondContact O-N 3.15Å; N463-Q466 PolarHBondContact O-N 2.58Å; N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.95Å
464M53.3Low50.3Low120 Ų120113.4 Ų113.459%0.59157%0.57SS**Hα-helixtrans-60.1-44.5166.7-70-174.262.500112.1L460 P461 K467L460-M464 PolarHBondContact O-N 3.04Å; P461-M464 PolarHBondContact O-N 3.09Å; M464-K467 PolarHBondContact O-N 3.48Å
465Y50.9Low50.1Low153 Ų153115.7 Ų115.760%0.657%0.573SS**Hα-helixtrans-68.8-35.1177.5-66.8-70.1000112.6P461 S462P461-Y465 WeakPolarHBondContact O-CD2 3.39Å; P461-Y465 PolarHBondContact O-N 3.15Å; S462-Y465 PolarHBondContact O-N 3.45Å
466Q49.4Very low50.1Low103 Ų103112.1 Ų112.148%0.48158%0.581SS.*Hα-helixtrans-70.2-31.3177-69.6-179.7-7.900113.6S462 N463 N468 G469 N557S462-Q466 WeakPolarHBondContact O-CG 3.45Å; S462-Q466 PolarHBondContact O-N 2.9Å; N463-Q466 PolarHBondContact O-N 2.58Å; Q466-N468 PolarHBondContact O-N 3.07Å; Q466-N468 VanDerWaalsContact O-N 3.07Å; Q466-G469 PolarHBondContact O-N 2.62Å; Q466-N557 PolarHBondContact NE2-OD1 3.03Å
467K46.5Very low50Low135 Ų135112.4 Ų112.459%0.58759%0.586SS**THydrogen-bonded Turntrans-67.6-7.9-175.4-160.5161.4-173.4164.70114.5D458 N463 M464 G469D458-K467 IonicContact OD2-NZ 2.92Å; D458-K467 PolarHBondContact OD2-NZ 3.2Å; N463-K467 WeakPolarHBondContact O-CB 3.48Å; N463-K467 PolarHBondContact O-N 2.95Å; M464-K467 PolarHBondContact O-N 3.48Å; K467-G469 PolarHBondContact O-N 3.05Å
468N45.9Very low50Low106 Ų106114.6 Ų114.657%0.56760%0.599SS**THydrogen-bonded Turntrans-71.30.4172.3-73.8-9.1000114Q466 L470Q466-N468 PolarHBondContact O-N 3.07Å; Q466-N468 VanDerWaalsContact O-N 3.07Å; N468-L470 PolarHBondContact O-N 3.12Å
469G51.2Low50Low49 Ų49120.1 Ų120.151%0.50562%0.619SS.*SBendtrans-70110.6174.300000114.8Q466 K467 H471Q466-G469 PolarHBondContact O-N 2.62Å; K467-G469 PolarHBondContact O-N 3.05Å; G469-H471 PolarHBondContact O-N 3.39Å
470L46.9Very low49.4Very low155 Ų155121.6 Ų121.681%0.81263%0.632SS**SBendtrans62.3-31.2162.3-165.959.8000118.8N468 H472N468-L470 PolarHBondContact O-N 3.12Å; L470-H472 PolarHBondContact O-N 2.94Å
471H42.3Very low49.4Very low170 Ų170128.8 Ų128.879%0.78766%0.655SS**  trans-96.873-176.2-70.5-75.8000112.8G469 G473G469-H471 PolarHBondContact O-N 3.39Å; H471-G473 PolarHBondContact O-N 3.36Å
472H46.8Very low49.4Very low144 Ų144137.4 Ų137.467%0.66768%0.679SS**  trans-60.9121.6176.4-70-57000113.1L470L470-H472 PolarHBondContact O-N 2.94Å
473G38.6Very low49.5Very low59 Ų59138.7 Ų138.761%0.60868%0.684SS**  trans-58.8146.1155.400000110.3H471 Y475H471-G473 PolarHBondContact O-N 3.36Å; G473-Y475 PolarHBondContact O-N 2.93Å
474K50.4Low49.6Very low200 Ų200141.2 Ų141.287%0.8770%0.698SS**SBendtrans-75.421-165.1-65-168.7176-1770116.1
475Y46Very low49.8Very low212 Ų212140.5 Ų140.583%0.83170%0.7SS**SBendtrans-133.6151-179.3-59-72.2000110.7G473G473-Y475 PolarHBondContact O-N 2.93Å
476A47.3Very low50.5Low97 Ų97138.5 Ų138.580%0.80270%0.696SS**  trans72.516.4177.800000119.7K478A476-K478 PolarHBondContact O-N 3.19Å
477V49.2Very low52Low113 Ų113137.4 Ų137.469%0.68569%0.694SS**  trans-77.167.6159.6-170.80000110.2
478K54.3Low54Low188 Ų188134.7 Ų134.782%0.81769%0.685SS**SBendtrans-141.2107.1174.2-75.5-170.2177-179.30111.4A476 S480A476-K478 PolarHBondContact O-N 3.19Å; K478-S480 VanDerWaalsContact C-N 3.32Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å
479K53.9Low56.2Low212 Ų212133 Ų13392%0.92268%0.679SS**SBendtrans57.920165-63.6-168.4175.5-1730118.5R481K479-R481 PolarHBondContact O-N 2.81Å; K479-R481 VanDerWaalsContact O-N 3.15Å
480S46.2Very low58.2Low112 Ų112130.9 Ų130.978%0.78366%0.656SS**  trans-67.9111.1155.2-170.40000108.5K478K478-S480 VanDerWaalsContact C-N 3.32Å; K478-S480 PolarHBondContact O-N 3.44Å; K478-S480 VanDerWaalsContact O-N 3.15Å
481R58.6Low60.4Low215 Ų215127 Ų12781%0.81164%0.636SS**  trans-69.7134.9165.9-58.1-173.3-168.8-159.75.1106.4K479 T483K479-R481 PolarHBondContact O-N 2.81Å; K479-R481 VanDerWaalsContact O-N 3.15Å; R481-T483 PolarHBondContact O-N 3.47Å
482R51.6Low62.9Low249 Ų249119 Ų11994%0.9460%0.599SS**  trans-62.9101.5168.4-93.7-177.6162.7145.2-5.2108.7
483T55.7Low65.2Low82 Ų82117.5 Ų117.550%0.50359%0.591SS.*  trans-90.8154.8171.451.90000109.8R481 V485 E486R481-T483 PolarHBondContact O-N 3.47Å; T483-V485 PolarHBondContact O-N 3.38Å; T483-E486 PolarHBondContact O-N 3.03Å; T483-E486 VanDerWaalsContact O-N 3.15Å
484D55.9Low67.9Low92 Ų92117.8 Ų117.849%0.49258%0.575SS.*G310 helixtrans-52-20.3178-172.114.6000112.9E486 D487 K494 Y546 K550D484-E486 VanDerWaalsContact C-N 3.3Å; D484-E486 PolarHBondContact O-N 3.25Å; D484-D487 PolarHBondContact O-N 2.99Å; D484-K494 IonicContact OD2-NZ 2.91Å; D484-Y546 PolarHBondContact O-OH 3.06Å; D484-K550 IonicContact OD1-NZ 2.86Å; D484-K550 PolarHBondContact OD1-NZ 3.43Å
485V59Low70.1Confident104 Ų104108.7 Ų108.763%0.6354%0.536SS*.G310 helixtrans-56.2-37.8176.8-174.20000113.3T483 Y546T483-V485 PolarHBondContact O-N 3.38Å; V485-Y546 PolarHBondContact O-OH 3.13Å
486E64.1Low72.6Confident112 Ų112100.4 Ų100.452%0.52351%0.506SS..G310 helixtrans-87.9-10.4-178.6-68.1-85.5134.700113T483 D484 L488T483-E486 PolarHBondContact O-N 3.03Å; T483-E486 VanDerWaalsContact O-N 3.15Å; D484-E486 VanDerWaalsContact C-N 3.3Å; D484-E486 PolarHBondContact O-N 3.25Å; E486-L488 PolarHBondContact O-N 2.96Å
487D82.4Confident74.9Confident79 Ų79102.6 Ų102.642%0.42250%0.5SS..  trans-85.790.5-179-173.812.6000111.4D484 T489 K550D484-D487 PolarHBondContact O-N 2.99Å; D487-T489 PolarHBondContact O-N 2.95Å; D487-T489 WeakPolarHBondContact OD1-CB 3.49Å; D487-T489 PolarHBondContact OD1-N 3.34Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; D487-K550 WeakPolarHBondContact O-CE 3.26Å; D487-K550 PolarHBondContact O-NZ 2.74Å
488L88.5Confident77.2Confident78 Ų7897.9 Ų97.941%0.40847%0.47SS..  trans-74.83.5176.4-60178.4000113.8E486 P490 L553E486-L488 PolarHBondContact O-N 2.96Å; L488-P490 WeakPolarHBondContact O-CD 3.36Å; L488-L553 HydrophobicContact CD1-CD2 4.13Å; L488-L553 HydrophobicContact CD2-CD2 4.41Å
489T90.8Very high79.3Confident71 Ų7190.2 Ų90.244%0.43645%0.445SS..  trans-64.5121.3178.4-50.20000110.9D487 K550 L632D487-T489 PolarHBondContact O-N 2.95Å; D487-T489 WeakPolarHBondContact OD1-CB 3.49Å; D487-T489 PolarHBondContact OD1-N 3.34Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; T489-K550 VanDerWaalsContact O-CD 3.28Å; T489-K550 WeakPolarHBondContact O-CD 3.4Å; T489-L632 HydrophobicContact CG2-CD1 3.67Å
490P93.4Very high81.4Confident5 Ų582.9 Ų82.93%0.03242%0.416CS..  trans-71.3135.4178.428.9-35.5000111.8L488 K550 V551 W554 L629 L632L488-P490 WeakPolarHBondContact O-CD 3.36Å; P490-K550 HydrophobicContact CB-CB 4.1Å; P490-V551 HydrophobicContact CB-CB 4.42Å; P490-V551 HydrophobicContact CB-CG2 3.77Å; P490-W554 HydrophobicContact CG-CB 3.87Å; P490-W554 HydrophobicContact CG-CG 3.72Å; P490-L629 HydrophobicContact CB-CD1 4.17Å; P490-L629 HydrophobicContact CG-CD1 3.99Å; P490-L632 HydrophobicContact CG-CD1 4.18Å; P490-L632 HydrophobicContact CG-CD2 4.25Å; P490-L632 WeakPolarHBondContact O-CD2 3.18Å
491N94.1Very high83.8Confident73 Ų7380.1 Ų80.139%0.3939%0.391SS..  trans-119.690173.5-171.2-27.4000110.8K493 K494 L495N491-K493 VanDerWaalsContact C-N 3.3Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.48Å; N491-K494 HydrophobicContact CB-CB 3.8Å; N491-K494 HydrophobicContact CB-CD 4.24Å; N491-K494 WeakPolarHBondContact O-CB 3.36Å; N491-K494 PolarHBondContact O-N 3.37Å; N491-K494 WeakPolarHBondContact OD1-CB 3.39Å; N491-K494 PolarHBondContact OD1-N 2.7Å; N491-L495 PolarHBondContact O-N 2.92Å
492P95.2Very high85.7Confident2 Ų271.1 Ų71.11%0.01336%0.359CS..Hα-helixtrans-68.9-26.8-175.528.4-35000112.8L495 L496 V616 T620 L629P492-L495 PolarHBondContact O-N 3.23Å; P492-L496 WeakPolarHBondContact O-CB 3.27Å; P492-L496 PolarHBondContact O-N 3.49Å; P492-V616 HydrophobicContact CB-CG1 3.76Å; P492-V616 HydrophobicContact CG-CG1 4.48Å; P492-T620 HydrophobicContact CB-CG2 4.49Å; P492-L629 HydrophobicContact CG-CD1 4.19Å
493K94.9Very high87.9Confident113 Ų11367.5 Ų67.549%0.49135%0.345SS..Hα-helixtrans-62.8-46.9170.3-70.4-167.4178.9-170.30112N491 L495 L496 Q497 T620 P625N491-K493 VanDerWaalsContact C-N 3.3Å; N491-K493 PolarHBondContact O-N 3.18Å; N491-K493 PolarHBondContact OD1-N 3.48Å; K493-L495 VanDerWaalsContact C-N 3.32Å; K493-L495 PolarHBondContact O-N 3.31Å; K493-L496 PolarHBondContact O-N 3.19Å; K493-Q497 WeakPolarHBondContact O-CB 3.26Å; K493-Q497 PolarHBondContact O-N 3.32Å; K493-T620 HydrophobicContact CG-CG2 3.97Å; K493-P625 VanDerWaalsContact CE-CA 3.44Å; K493-P625 VanDerWaalsContact CE-CB 3.41Å
494K95.1Very high89.9Confident64 Ų6471 Ų7128%0.27835%0.353SS..Hα-helixtrans-59.7-43.2176.2-177.1-179.2177-167.60110.3D484 N491 Q497 I498 E547D484-K494 IonicContact OD2-NZ 2.91Å; N491-K494 HydrophobicContact CB-CB 3.8Å; N491-K494 HydrophobicContact CB-CD 4.24Å; N491-K494 WeakPolarHBondContact O-CB 3.36Å; N491-K494 PolarHBondContact O-N 3.37Å; N491-K494 WeakPolarHBondContact OD1-CB 3.39Å; N491-K494 PolarHBondContact OD1-N 2.7Å; K494-Q497 PolarHBondContact O-N 2.9Å; K494-I498 HydrophobicContact CG-CD1 4.03Å; K494-I498 WeakPolarHBondContact O-CD1 3.38Å; K494-I498 WeakPolarHBondContact O-CG1 3.23Å; K494-I498 PolarHBondContact O-N 2.93Å; K494-E547 HydrophobicContact CD-CG 4.03Å; K494-E547 VanDerWaalsContact CE-OE1 3.25Å; K494-E547 WeakPolarHBondContact CE-OE1 3.37Å; K494-E547 HydrophobicContact CG-CG 4.24Å; K494-E547 IonicContact NZ-OE1 3.97Å; K494-E547 PolarHBondContact NZ-OE1 3.15Å
495L97Very high91.8Very high10 Ų1067.2 Ų67.25%0.05233%0.333CS..Hα-helixtrans-61.8-47.6175-176.659.6000112.5N491 P492 K493 Q497 I498 G499 A544 E547 A548 V551 V613 L617N491-L495 PolarHBondContact O-N 2.92Å; P492-L495 PolarHBondContact O-N 3.23Å; K493-L495 VanDerWaalsContact C-N 3.32Å; K493-L495 PolarHBondContact O-N 3.31Å; L495-Q497 PolarHBondContact O-N 3.26Å; L495-I498 PolarHBondContact O-N 3.35Å; L495-G499 PolarHBondContact O-N 3.31Å; L495-A544 HydrophobicContact CD1-CB 4Å; L495-A544 WeakPolarHBondContact CD1-O 3.46Å; L495-E547 HydrophobicContact CB-CB 4.15Å; L495-E547 HydrophobicContact CD1-CB 4.12Å; L495-A548 HydrophobicContact CD1-CB 4.1Å; L495-A548 HydrophobicContact CD2-CB 3.95Å; L495-V551 HydrophobicContact CD2-CG2 4.34Å; L495-V613 HydrophobicContact CD2-CG1 3.89Å; L495-L617 HydrophobicContact CB-CD2 4.14Å; L495-L617 HydrophobicContact CD2-CD1 4.06Å; L495-L617 HydrophobicContact CD2-CD2 4.01Å; L495-L617 HydrophobicContact CD2-CG 4.21Å; L495-L617 HydrophobicContact CG-CD1 4.23Å; L495-L617 HydrophobicContact CG-CD2 3.89Å; L495-L617 HydrophobicContact CG-CG 4.5Å
496L96.7Very high93.6Very high38 Ų3866.4 Ų66.420%0.19933%0.325CS..Hα-helixtrans-61.2-42.7177.2-176.361.5000111.9P492 K493 G499 N500 L617 T620 A621P492-L496 WeakPolarHBondContact O-CB 3.27Å; P492-L496 PolarHBondContact O-N 3.49Å; K493-L496 PolarHBondContact O-N 3.19Å; L496-G499 PolarHBondContact O-N 2.77Å; L496-N500 PolarHBondContact O-N 3.47Å; L496-N500 PolarHBondContact O-ND2 3.31Å; L496-L617 HydrophobicContact CB-CD2 3.73Å; L496-L617 HydrophobicContact CD1-CD2 4.24Å; L496-T620 HydrophobicContact CB-CG2 4.4Å; L496-T620 HydrophobicContact CD2-CG2 3.82Å; L496-A621 HydrophobicContact CD2-CB 4.12Å
497Q97.3Very high95.2Very high142 Ų14267.3 Ų67.366%0.66433%0.327SS*.Hα-helixtrans-62.9-44.8177.2-173.6177.64.400111.9K493 K494 L495 G499 N500 E501K493-Q497 WeakPolarHBondContact O-CB 3.26Å; K493-Q497 PolarHBondContact O-N 3.32Å; K494-Q497 PolarHBondContact O-N 2.9Å; L495-Q497 PolarHBondContact O-N 3.26Å; Q497-G499 VanDerWaalsContact C-N 3.34Å; Q497-G499 PolarHBondContact O-N 3.18Å; Q497-N500 PolarHBondContact O-N 3.45Å; Q497-E501 PolarHBondContact O-N 3.39Å
498I97.3Very high95.9Very high14 Ų1466.6 Ų66.67%0.07233%0.325CS..Hα-helixtrans-64.3-39.7175.4-63.6161000110.5K494 L495 N500 E501 L502 L540 K543 A544K494-I498 HydrophobicContact CG-CD1 4.03Å; K494-I498 WeakPolarHBondContact O-CD1 3.38Å; K494-I498 WeakPolarHBondContact O-CG1 3.23Å; K494-I498 PolarHBondContact O-N 2.93Å; L495-I498 PolarHBondContact O-N 3.35Å; I498-N500 VanDerWaalsContact C-N 3.31Å; I498-N500 PolarHBondContact O-N 3.48Å; I498-E501 PolarHBondContact O-N 3.19Å; I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 HydrophobicContact CG2-CG 4.43Å; I498-L502 WeakPolarHBondContact O-CB 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; I498-L502 PolarHBondContact O-N 3.41Å; I498-L540 HydrophobicContact CG2-CB 4.07Å; I498-L540 HydrophobicContact CG2-CD2 4.06Å; I498-L540 WeakPolarHBondContact CG2-O 3.43Å; I498-K543 HydrophobicContact CD1-CB 4.06Å; I498-A544 HydrophobicContact CG2-CB 3.8Å
499G97.2Very high96.2Very high27 Ų2764.3 Ų64.328%0.27831%0.313SS..Hα-helixtrans-60.4-38.5173.400000113L495 L496 Q497 R503L495-G499 PolarHBondContact O-N 3.31Å; L496-G499 PolarHBondContact O-N 2.77Å; Q497-G499 VanDerWaalsContact C-N 3.34Å; Q497-G499 PolarHBondContact O-N 3.18Å; G499-R503 WeakPolarHBondContact O-CG 3.13Å; G499-R503 PolarHBondContact O-N 3.01Å
500N97.6Very high96.4Very high59 Ų5965.5 Ų65.532%0.31633%0.325SS..Hα-helixtrans-69.4-40.3175.1-68.4-20.6000112.3L496 Q497 I498 R503 K504L496-N500 PolarHBondContact O-N 3.47Å; L496-N500 PolarHBondContact O-ND2 3.31Å; Q497-N500 PolarHBondContact O-N 3.45Å; I498-N500 VanDerWaalsContact C-N 3.31Å; I498-N500 PolarHBondContact O-N 3.48Å; N500-R503 PolarHBondContact O-N 3.4Å; N500-R503 PolarHBondContact OD1-NH2 3.12Å; N500-K504 WeakPolarHBondContact O-CG 3.25Å; N500-K504 PolarHBondContact O-N 2.8Å; N500-K504 VanDerWaalsContact O-N 3.09Å
501E97.9Very high96.5Very high54 Ų5470.2 Ų70.225%0.25235%0.35SS..Hα-helixtrans-64.7-41.4173.8-166.9-176.7168.600111.7Q497 I498 R503 K504 L505 R536 L540Q497-E501 PolarHBondContact O-N 3.39Å; I498-E501 PolarHBondContact O-N 3.19Å; E501-R503 PolarHBondContact O-N 3.14Å; E501-K504 PolarHBondContact O-N 3.22Å; E501-L505 HydrophobicContact CG-CD1 4.23Å; E501-L505 WeakPolarHBondContact O-CG 3.21Å; E501-L505 PolarHBondContact O-N 3.17Å; E501-R536 IonicContact OE1-CZ 2.58Å; E501-R536 IonicContact OE1-NE 3.48Å; E501-R536 PolarHBondContact OE1-NE 3.1Å; E501-R536 IonicContact OE1-NH2 2.62Å; E501-R536 PolarHBondContact OE1-NH2 3.37Å; E501-L540 HydrophobicContact CB-CD1 4.44Å; E501-L540 HydrophobicContact CG-CD1 3.83Å; E501-L540 WeakPolarHBondContact OE1-CD1 3.27Å; E501-L540 WeakPolarHBondContact OE2-CD2 3.46Å
502L97.9Very high96.4Very high26 Ų2668.7 Ų68.714%0.13634%0.341CS..Hα-helixtrans-60.2-43.5174.1-78.5168.1000112.2I498 K504 L505 N506 A537 L540 K541 A544I498-L502 HydrophobicContact CG2-CD1 4.06Å; I498-L502 HydrophobicContact CG2-CG 4.43Å; I498-L502 WeakPolarHBondContact O-CB 3.3Å; I498-L502 WeakPolarHBondContact O-CG 3.39Å; I498-L502 PolarHBondContact O-N 3.41Å; L502-K504 PolarHBondContact O-N 3.41Å; L502-L505 PolarHBondContact O-N 2.92Å; L502-N506 WeakPolarHBondContact O-CB 3.48Å; L502-N506 VanDerWaalsContact O-CG 3.22Å; L502-N506 PolarHBondContact O-N 2.88Å; L502-A537 HydrophobicContact CD2-CB 4.32Å; L502-A537 VanDerWaalsContact CD2-O 3.32Å; L502-A537 WeakPolarHBondContact CD2-O 3.47Å; L502-L540 HydrophobicContact CD1-CB 4.48Å; L502-L540 HydrophobicContact CD2-CB 3.68Å; L502-L540 HydrophobicContact CG-CB 3.94Å; L502-K541 HydrophobicContact CD2-CB 4.44Å; L502-A544 HydrophobicContact CD1-CB 4.06Å
503R97.1Very high96.1Very high173 Ų17371.9 Ų71.965%0.65336%0.36SS*.Hα-helixtrans-61.4-42.3174.4-74.3-167.6-69.9169.9-4.6112.1G499 N500 E501 K507G499-R503 WeakPolarHBondContact O-CG 3.13Å; G499-R503 PolarHBondContact O-N 3.01Å; N500-R503 PolarHBondContact O-N 3.4Å; N500-R503 PolarHBondContact OD1-NH2 3.12Å; E501-R503 PolarHBondContact O-N 3.14Å; R503-K507 WeakPolarHBondContact O-CB 3.1Å; R503-K507 PolarHBondContact O-N 3.2Å
504K97.9Very high95.8Very high156 Ų15668.9 Ų68.968%0.67835%0.353SS*.Hα-helixtrans-61.6-47.3175.2-71.6-179.8178.8-171.70112N500 E501 L502 K507 V508N500-K504 WeakPolarHBondContact O-CG 3.25Å; N500-K504 PolarHBondContact O-N 2.8Å; N500-K504 VanDerWaalsContact O-N 3.09Å; E501-K504 PolarHBondContact O-N 3.22Å; L502-K504 PolarHBondContact O-N 3.41Å; K504-K507 PolarHBondContact O-N 3.05Å; K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 3.17Å
505L97.4Very high95.4Very high12 Ų1267.5 Ų67.56%0.06335%0.349CS..Hα-helixtrans-67.2-42.8-179.7-69.3169.4000112.5E501 L502 K507 V508 I509 L533 R536 A537 L540E501-L505 HydrophobicContact CG-CD1 4.23Å; E501-L505 WeakPolarHBondContact O-CG 3.21Å; E501-L505 PolarHBondContact O-N 3.17Å; L502-L505 PolarHBondContact O-N 2.92Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.13Å; L505-V508 PolarHBondContact O-N 2.84Å; L505-I509 WeakPolarHBondContact O-CB 3.27Å; L505-I509 WeakPolarHBondContact O-CD1 3.41Å; L505-I509 WeakPolarHBondContact O-CG1 3.18Å; L505-I509 PolarHBondContact O-N 3.3Å; L505-L533 HydrophobicContact CD2-CD2 3.93Å; L505-R536 HydrophobicContact CD1-CB 4.25Å; L505-R536 HydrophobicContact CD1-CG 3.7Å; L505-A537 HydrophobicContact CB-CB 4.38Å; L505-A537 HydrophobicContact CD1-CB 4.4Å; L505-L540 HydrophobicContact CD1-CD1 3.33Å
506N96.9Very high94.9Very high86 Ų8670.9 Ų70.946%0.4637%0.374SS..Hα-helixtrans-61.8-39.4176.5-71.3-10.7000111L502 I509 S510L502-N506 WeakPolarHBondContact O-CB 3.48Å; L502-N506 VanDerWaalsContact O-CG 3.22Å; L502-N506 PolarHBondContact O-N 2.88Å; N506-I509 PolarHBondContact O-N 2.65Å; N506-S510 WeakPolarHBondContact O-CB 3.28Å; N506-S510 PolarHBondContact O-N 3.41Å; N506-S510 VanDerWaalsContact O-N 3.09Å; N506-S510 PolarHBondContact O-OG 2.89Å
507K97.3Very high94.5Very high132 Ų13275.7 Ų75.757%0.57440%0.395SS*.Hα-helixtrans-58.1-56171.3175.4167.1177.31750111.3R503 K504 L505 I509 S510 D511R503-K507 WeakPolarHBondContact O-CB 3.1Å; R503-K507 PolarHBondContact O-N 3.2Å; K504-K507 PolarHBondContact O-N 3.05Å; L505-K507 VanDerWaalsContact C-N 3.29Å; L505-K507 PolarHBondContact O-N 3.13Å; K507-I509 VanDerWaalsContact C-N 3.28Å; K507-I509 PolarHBondContact O-N 2.91Å; K507-S510 CarbonylContact O-C 3.58Å; K507-S510 WeakPolarHBondContact O-CA 3.46Å; K507-S510 WeakPolarHBondContact O-CB 3.49Å; K507-S510 PolarHBondContact O-N 2.97Å; K507-D511 WeakPolarHBondContact CE-OD2 3.46Å; K507-D511 WeakPolarHBondContact CG-OD2 3.4Å; K507-D511 IonicContact NZ-OD2 3.74Å; K507-D511 VanDerWaalsContact O-CG 3.24Å; K507-D511 PolarHBondContact O-N 3.02Å
508V96.8Very high94.1Very high64 Ų6470.6 Ų70.639%0.38837%0.372SS..Hα-helixtrans-59.5-37-179.2-179.70000112.2K504 L505 S510 D511 L512 L533K504-V508 WeakPolarHBondContact O-CG2 3.49Å; K504-V508 PolarHBondContact O-N 3.17Å; L505-V508 PolarHBondContact O-N 2.84Å; V508-S510 VanDerWaalsContact C-N 3.28Å; V508-S510 PolarHBondContact O-N 3.12Å; V508-D511 PolarHBondContact O-N 2.89Å; V508-L512 VanDerWaalsContact O-CG 3.31Å; V508-L512 WeakPolarHBondContact O-CG 3.25Å; V508-L512 PolarHBondContact O-N 3.47Å; V508-L512 VanDerWaalsContact O-N 3.09Å; V508-L533 HydrophobicContact CB-CD1 4.44Å; V508-L533 HydrophobicContact CG1-CD1 3.69Å
509I95.2Very high93.7Very high29 Ų2974 Ų7415%0.14940%0.395CS..Hα-helixtrans-65.9-29.4176.6-68.5163.6000112.5L505 N506 K507 K530 L533 A537L505-I509 WeakPolarHBondContact O-CB 3.27Å; L505-I509 WeakPolarHBondContact O-CD1 3.41Å; L505-I509 WeakPolarHBondContact O-CG1 3.18Å; L505-I509 PolarHBondContact O-N 3.3Å; N506-I509 PolarHBondContact O-N 2.65Å; K507-I509 VanDerWaalsContact C-N 3.28Å; K507-I509 PolarHBondContact O-N 2.91Å; I509-K530 HydrophobicContact CG2-CG 4.47Å; I509-K530 PolarHBondContact O-NZ 3.08Å; I509-L533 HydrophobicContact CD1-CB 3.89Å; I509-L533 HydrophobicContact CG1-CB 3.61Å; I509-L533 HydrophobicContact CG1-CD1 4.19Å; I509-A537 HydrophobicContact CD1-CB 4.23Å
510S94.6Very high93.3Very high97 Ų9777.9 Ų77.968%0.67841%0.41SS*.Hα-helixtrans-83.5-36.1174.7-67.40000113.4N506 K507 V508 L512N506-S510 WeakPolarHBondContact O-CB 3.28Å; N506-S510 PolarHBondContact O-N 3.41Å; N506-S510 VanDerWaalsContact O-N 3.09Å; N506-S510 PolarHBondContact O-OG 2.89Å; K507-S510 CarbonylContact O-C 3.58Å; K507-S510 WeakPolarHBondContact O-CA 3.46Å; K507-S510 WeakPolarHBondContact O-CB 3.49Å; K507-S510 PolarHBondContact O-N 2.97Å; V508-S510 VanDerWaalsContact C-N 3.28Å; V508-S510 PolarHBondContact O-N 3.12Å; S510-L512 VanDerWaalsContact C-N 3.31Å
511D95.3Very high92.9Very high104 Ų10481.3 Ų81.356%0.55643%0.432SS*.Hα-helixtrans-72.6-24.6179.5-65.3-7000111.8K507 V508 T513K507-D511 WeakPolarHBondContact CE-OD2 3.46Å; K507-D511 WeakPolarHBondContact CG-OD2 3.4Å; K507-D511 IonicContact NZ-OD2 3.74Å; K507-D511 VanDerWaalsContact O-CG 3.24Å; K507-D511 PolarHBondContact O-N 3.02Å; V508-D511 PolarHBondContact O-N 2.89Å; D511-T513 PolarHBondContact O-N 3.42Å
512L92.6Very high92.6Very high40 Ų4080.4 Ų80.421%0.20943%0.434CS..SBendtrans-65.7119.2173.5-82.8174.5000112.5V508 S510 E529 K530 L533V508-L512 VanDerWaalsContact O-CG 3.31Å; V508-L512 WeakPolarHBondContact O-CG 3.25Å; V508-L512 PolarHBondContact O-N 3.47Å; V508-L512 VanDerWaalsContact O-N 3.09Å; S510-L512 VanDerWaalsContact C-N 3.31Å; L512-E529 HydrophobicContact CD1-CG 4.47Å; L512-K530 HydrophobicContact CD1-CB 4.5Å; L512-L533 HydrophobicContact CD1-CD1 3.72Å
513T87.8Confident92.2Very high69 Ų6983.3 Ų83.342%0.42344%0.444SS..  trans-43.9130.5174.7-45.50000111.8D511 E517 L518D511-T513 PolarHBondContact O-N 3.42Å; T513-E517 HydrophobicContact CG2-CB 4.13Å; T513-L518 HydrophobicContact CG2-CD2 3.8Å; T513-L518 HydrophobicContact CG2-CG 3.93Å
514P88.3Confident92Very high51 Ų5179.2 Ų79.233%0.33144%0.439SS..  trans-65.6144.5-177.929.5-36.4000111.1S516 E517P514-S516 PolarHBondContact O-N 3.42Å; P514-E517 HydrophobicContact CG-CB 4.28Å; P514-E517 HydrophobicContact CG-CG 4.12Å; P514-E517 WeakPolarHBondContact CG-OE1 3.42Å; P514-E517 WeakPolarHBondContact CG-OE2 3.14Å; P514-E517 PolarHBondContact O-N 3.02Å
515V86.6Confident91.7Very high34 Ų3481.9 Ų81.921%0.20645%0.445CS..THydrogen-bonded Turntrans-63.7-18.3-171.3-173.10000112.6R523V515-R523 HydrophobicContact CG1-CB 3.8Å; V515-R523 HydrophobicContact CG1-CG 3.87Å; V515-R523 WeakPolarHBondContact O-CD 3.29Å; V515-R523 WeakPolarHBondContact O-CG 3.5Å; V515-R523 PolarHBondContact O-NE 2.98Å; V515-R523 VanDerWaalsContact O-NE 3.08Å
516S86.5Confident91.5Very high81 Ų8181.8 Ų81.857%0.56645%0.446SS*.THydrogen-bonded Turntrans-63.1-41.2170.140.10000113.3P514 R523P514-S516 PolarHBondContact O-N 3.42Å; S516-R523 PolarHBondContact O-NH2 3.06Å
517E88.6Confident91.4Very high139 Ų13985 Ų8565%0.6545%0.451SS*.THydrogen-bonded Turntrans-88.6-13.7-171.7-72.6156.8-143.400113T513 P514T513-E517 HydrophobicContact CG2-CB 4.13Å; P514-E517 HydrophobicContact CG-CB 4.28Å; P514-E517 HydrophobicContact CG-CG 4.12Å; P514-E517 WeakPolarHBondContact CG-OE1 3.42Å; P514-E517 WeakPolarHBondContact CG-OE2 3.14Å; P514-E517 PolarHBondContact O-N 3.02Å
518L89.1Confident91.3Very high35 Ų3586.9 Ų86.918%0.18346%0.46CS..SBendtrans-80145.5179.3-70.2173.3000112.7T513 R523 S526T513-L518 HydrophobicContact CG2-CD2 3.8Å; T513-L518 HydrophobicContact CG2-CG 3.93Å; L518-R523 HydrophobicContact CB-CG 4.16Å; L518-R523 WeakPolarHBondContact O-CG 3.42Å; L518-R523 PolarHBondContact O-NE 3Å; L518-S526 VanDerWaalsContact CD1-OG 3.3Å; L518-S526 WeakPolarHBondContact CD1-OG 3.18Å
519P89.3Confident91.2Very high85 Ų8588.5 Ų88.555%0.55246%0.463SS*.  trans-55.5146.4171.2-25.234.2000112.6T521 A522 R523P519-T521 PolarHBondContact O-N 3.2Å; P519-T521 VanDerWaalsContact O-N 3.11Å; P519-A522 WeakPolarHBondContact O-CA 3.34Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 3.14Å; P519-R523 WeakPolarHBondContact O-CG 3.47Å; P519-R523 PolarHBondContact O-N 3.15Å; P519-R523 VanDerWaalsContact O-N 3.13Å
520L88Confident91.2Very high110 Ų11090.1 Ų90.158%0.57647%0.469SS*.THydrogen-bonded Turntrans-49.7-43-174.6-66.3174.7000113.2A522 R523 P524L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.49Å; L520-R523 VanDerWaalsContact CD2-NH1 3.32Å; L520-R523 PolarHBondContact O-N 3.13Å; L520-P524 VanDerWaalsContact O-CD 3.25Å; L520-P524 WeakPolarHBondContact O-CD 3.46Å
521T90.2Very high91.3Very high130 Ų13090.1 Ų90.180%0.79846%0.461SS*.THydrogen-bonded Turntrans-64.9-28178.252.90000114.2P519P519-T521 PolarHBondContact O-N 3.2Å; P519-T521 VanDerWaalsContact O-N 3.11Å
522A90.4Very high91.4Very high35 Ų3593.1 Ų93.129%0.28947%0.469SS..THydrogen-bonded Turntrans-88.8-26179.400000113.2P519 L520 R525 S526P519-A522 WeakPolarHBondContact O-CA 3.34Å; P519-A522 WeakPolarHBondContact O-CB 3.23Å; P519-A522 PolarHBondContact O-N 3.14Å; L520-A522 VanDerWaalsContact C-N 3.31Å; L520-A522 PolarHBondContact O-N 3.49Å; A522-R525 PolarHBondContact O-N 3.42Å; A522-R525 VanDerWaalsContact O-N 3.12Å; A522-S526 PolarHBondContact O-N 3.05Å; A522-S526 VanDerWaalsContact O-N 3.11Å
523R91.4Very high91.6Very high88 Ų8892.4 Ų92.433%0.33247%0.466SS..Hα-helixtrans-52-42.6-178.2-67.9-178.3-178.1179.6-6.7113.8V515 S516 L518 P519 L520 R527V515-R523 HydrophobicContact CG1-CB 3.8Å; V515-R523 HydrophobicContact CG1-CG 3.87Å; V515-R523 WeakPolarHBondContact O-CD 3.29Å; V515-R523 WeakPolarHBondContact O-CG 3.5Å; V515-R523 PolarHBondContact O-NE 2.98Å; V515-R523 VanDerWaalsContact O-NE 3.08Å; S516-R523 PolarHBondContact O-NH2 3.06Å; L518-R523 HydrophobicContact CB-CG 4.16Å; L518-R523 WeakPolarHBondContact O-CG 3.42Å; L518-R523 PolarHBondContact O-NE 3Å; P519-R523 WeakPolarHBondContact O-CG 3.47Å; P519-R523 PolarHBondContact O-N 3.15Å; P519-R523 VanDerWaalsContact O-N 3.13Å; L520-R523 VanDerWaalsContact CD2-NH1 3.32Å; L520-R523 PolarHBondContact O-N 3.13Å; R523-R527 VanDerWaalsContact O-CB 3.28Å; R523-R527 WeakPolarHBondContact O-CB 3.35Å; R523-R527 PolarHBondContact O-N 3.16Å
524P92Very high92.1Very high87 Ų8791.2 Ų91.257%0.56546%0.463SS*.Hα-helixtrans-64.3-39.7178.2-23.934.8000113.6L520 K528L520-P524 VanDerWaalsContact O-CD 3.25Å; L520-P524 WeakPolarHBondContact O-CD 3.46Å; P524-K528 WeakPolarHBondContact O-CB 3.23Å; P524-K528 PolarHBondContact O-N 2.77Å
525R91.1Very high92.5Very high211 Ų21191.9 Ų91.980%0.79647%0.468SS*.Hα-helixtrans-67-50.4178.5-73.1-168.5176-142.91.7111A522 R527 K528 E529A522-R525 PolarHBondContact O-N 3.42Å; A522-R525 VanDerWaalsContact O-N 3.12Å; R525-R527 VanDerWaalsContact C-N 3.35Å; R525-R527 PolarHBondContact O-N 2.69Å; R525-K528 PolarHBondContact O-N 3.43Å; R525-K528 VanDerWaalsContact O-N 3.14Å; R525-E529 PolarHBondContact O-N 3.4Å
526S93.6Very high93.1Very high11 Ų1196.6 Ų96.68%0.07748%0.482CS..Hα-helixtrans-58.4-43.5176.3168.60000112.2L518 A522 K528 E529 K530L518-S526 VanDerWaalsContact CD1-OG 3.3Å; L518-S526 WeakPolarHBondContact CD1-OG 3.18Å; A522-S526 PolarHBondContact O-N 3.05Å; A522-S526 VanDerWaalsContact O-N 3.11Å; S526-K528 PolarHBondContact O-N 3.49Å; S526-E529 PolarHBondContact O-N 3.03Å; S526-K530 WeakPolarHBondContact O-CB 3.4Å; S526-K530 PolarHBondContact O-N 3.2Å
527R94.8Very high93.6Very high154 Ų15493.2 Ų93.258%0.58146%0.459SS*.Hα-helixtrans-61.2-42.5175.3-172.5-178.3-71173.3-2.1112.1R523 R525 N531R523-R527 VanDerWaalsContact O-CB 3.28Å; R523-R527 WeakPolarHBondContact O-CB 3.35Å; R523-R527 PolarHBondContact O-N 3.16Å; R525-R527 VanDerWaalsContact C-N 3.35Å; R525-R527 PolarHBondContact O-N 2.69Å; R527-N531 VanDerWaalsContact O-CB 3.31Å; R527-N531 WeakPolarHBondContact O-CB 3.33Å; R527-N531 PolarHBondContact O-N 3.48Å; R527-N531 VanDerWaalsContact O-N 3.08Å
528K95.1Very high94.1Very high171 Ų17190.8 Ų90.874%0.74346%0.457SS*.Hα-helixtrans-63.6-42.3177.1-172.3176-178.5178.50111.6P524 R525 S526 K532P524-K528 WeakPolarHBondContact O-CB 3.23Å; P524-K528 PolarHBondContact O-N 2.77Å; R525-K528 PolarHBondContact O-N 3.43Å; R525-K528 VanDerWaalsContact O-N 3.14Å; S526-K528 PolarHBondContact O-N 3.49Å; K528-K532 PolarHBondContact O-N 2.92Å
529E95.5Very high94.5Very high97 Ų9798.2 Ų98.245%0.45348%0.482SS..Hα-helixtrans-69.5-49.3178.3-176.8171.4-171.500112.7L512 R525 S526 N531 K532 L533L512-E529 HydrophobicContact CD1-CG 4.47Å; R525-E529 PolarHBondContact O-N 3.4Å; S526-E529 PolarHBondContact O-N 3.03Å; E529-N531 PolarHBondContact O-N 3.21Å; E529-K532 WeakPolarHBondContact O-CA 3.28Å; E529-K532 WeakPolarHBondContact O-CB 3.35Å; E529-K532 PolarHBondContact O-N 3.43Å; E529-L533 HydrophobicContact CG-CD1 4.3Å; E529-L533 PolarHBondContact O-N 3.46Å
530K94.6Very high94.9Very high63 Ų6394.8 Ų94.827%0.27446%0.459SS..Hα-helixtrans-58.1-38177.5-166.6166-177.2117.70111.3I509 L512 S526 A534I509-K530 HydrophobicContact CG2-CG 4.47Å; I509-K530 PolarHBondContact O-NZ 3.08Å; L512-K530 HydrophobicContact CD1-CB 4.5Å; S526-K530 WeakPolarHBondContact O-CB 3.4Å; S526-K530 PolarHBondContact O-N 3.2Å; K530-A534 VanDerWaalsContact O-CB 3.22Å; K530-A534 WeakPolarHBondContact O-CB 3.44Å; K530-A534 PolarHBondContact O-N 3.29Å
531N96.5Very high95.4Very high98 Ų9896.6 Ų96.652%0.52446%0.463SS..Hα-helixtrans-67.5-38.2172.6-74.2-5000113.3R527 E529 S535R527-N531 VanDerWaalsContact O-CB 3.31Å; R527-N531 WeakPolarHBondContact O-CB 3.33Å; R527-N531 PolarHBondContact O-N 3.48Å; R527-N531 VanDerWaalsContact O-N 3.08Å; E529-N531 PolarHBondContact O-N 3.21Å; N531-S535 VanDerWaalsContact O-CB 3.24Å; N531-S535 WeakPolarHBondContact O-CB 3.39Å; N531-S535 PolarHBondContact O-N 2.94Å; N531-S535 PolarHBondContact O-OG 3.42Å
532K97.1Very high95.7Very high167 Ų16798.1 Ų98.173%0.72646%0.458SS*.Hα-helixtrans-61.1-47173.9-174.5-178.1-179.8-177.20110.9K528 E529 R536K528-K532 PolarHBondContact O-N 2.92Å; E529-K532 WeakPolarHBondContact O-CA 3.28Å; E529-K532 WeakPolarHBondContact O-CB 3.35Å; E529-K532 PolarHBondContact O-N 3.43Å; K532-R536 PolarHBondContact O-N 2.86Å; K532-R536 VanDerWaalsContact O-N 3.11Å
533L97.4Very high96Very high25 Ų25102.5 Ų102.513%0.13147%0.471CS..Hα-helixtrans-67.8-46.9179-64.3175.4000112.2L505 V508 I509 L512 E529 S535 R536 A537L505-L533 HydrophobicContact CD2-CD2 3.93Å; V508-L533 HydrophobicContact CB-CD1 4.44Å; V508-L533 HydrophobicContact CG1-CD1 3.69Å; I509-L533 HydrophobicContact CD1-CB 3.89Å; I509-L533 HydrophobicContact CG1-CB 3.61Å; I509-L533 HydrophobicContact CG1-CD1 4.19Å; L512-L533 HydrophobicContact CD1-CD1 3.72Å; E529-L533 HydrophobicContact CG-CD1 4.3Å; E529-L533 PolarHBondContact O-N 3.46Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 3.5Å; L533-R536 WeakPolarHBondContact O-CB 3.29Å; L533-R536 PolarHBondContact O-N 3.43Å; L533-R536 VanDerWaalsContact O-N 3.13Å; L533-A537 PolarHBondContact O-N 3.22Å
534A97.1Very high96.3Very high44 Ų4499 Ų9936%0.36446%0.461SS..Hα-helixtrans-60.2-38.4176.500000112.2K530 A537 C538K530-A534 VanDerWaalsContact O-CB 3.22Å; K530-A534 WeakPolarHBondContact O-CB 3.44Å; K530-A534 PolarHBondContact O-N 3.29Å; A534-A537 PolarHBondContact O-N 2.91Å; A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.29Å
535S97.9Very high96.5Very high64 Ų64100.7 Ų100.745%0.44846%0.461SS..Hα-helixtrans-64.5-40.5174.4-62.10000112.4N531 L533 R539N531-S535 VanDerWaalsContact O-CB 3.24Å; N531-S535 WeakPolarHBondContact O-CB 3.39Å; N531-S535 PolarHBondContact O-N 2.94Å; N531-S535 PolarHBondContact O-OG 3.42Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 3.5Å; S535-R539 WeakPolarHBondContact O-CG 3.41Å; S535-R539 PolarHBondContact O-N 3.44Å; S535-R539 VanDerWaalsContact O-N 3.09Å
536R98.2Very high96.7Very high133 Ų13394.7 Ų94.750%0.50244%0.439SS..Hα-helixtrans-64-47.5173.9-175.1-179.2174.2162.63.5111E501 L505 K532 L533 C538 R539 L540E501-R536 IonicContact OE1-CZ 2.58Å; E501-R536 IonicContact OE1-NE 3.48Å; E501-R536 PolarHBondContact OE1-NE 3.1Å; E501-R536 IonicContact OE1-NH2 2.62Å; E501-R536 PolarHBondContact OE1-NH2 3.37Å; L505-R536 HydrophobicContact CD1-CB 4.25Å; L505-R536 HydrophobicContact CD1-CG 3.7Å; K532-R536 PolarHBondContact O-N 2.86Å; K532-R536 VanDerWaalsContact O-N 3.11Å; L533-R536 WeakPolarHBondContact O-CB 3.29Å; L533-R536 PolarHBondContact O-N 3.43Å; L533-R536 VanDerWaalsContact O-N 3.13Å; R536-C538 PolarHBondContact O-N 3.39Å; R536-R539 PolarHBondContact O-N 3.41Å; R536-L540 HydrophobicContact CG-CD1 3.86Å; R536-L540 WeakPolarHBondContact O-CG 3.12Å; R536-L540 PolarHBondContact O-N 3.01Å
537A98.3Very high96.8Very high10 Ų1094.3 Ų94.38%0.08344%0.436CS..Hα-helixtrans-60.5-42.2177.400000112.2L502 L505 I509 L533 A534 L540 K541L502-A537 HydrophobicContact CD2-CB 4.32Å; L502-A537 VanDerWaalsContact CD2-O 3.32Å; L502-A537 WeakPolarHBondContact CD2-O 3.47Å; L505-A537 HydrophobicContact CB-CB 4.38Å; L505-A537 HydrophobicContact CD1-CB 4.4Å; I509-A537 HydrophobicContact CD1-CB 4.23Å; L533-A537 PolarHBondContact O-N 3.22Å; A534-A537 PolarHBondContact O-N 2.91Å; A537-L540 PolarHBondContact O-N 3.5Å; A537-K541 WeakPolarHBondContact O-CB 3.09Å; A537-K541 PolarHBondContact O-N 3.47Å
538C98Very high96.9Very high89 Ų8987.8 Ų87.860%0.60142%0.415SS*.Hα-helixtrans-60.7-47.2174.9-176.90000112.3A534 R536 L540 K541 K542A534-C538 WeakPolarHBondContact O-CB 3.46Å; A534-C538 PolarHBondContact O-N 3.29Å; R536-C538 PolarHBondContact O-N 3.39Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.95Å; C538-K541 PolarHBondContact O-N 3.28Å; C538-K542 PolarHBondContact O-N 3.32Å; C538-K542 VanDerWaalsContact O-N 3.12Å
539R98.1Very high97Very high190 Ų19083.5 Ų83.572%0.71740%0.4SS*.Hα-helixtrans-60.4-41.3175.9-71.2174.6-176.9-161.41.4112S535 R536 K542 K543S535-R539 WeakPolarHBondContact O-CG 3.41Å; S535-R539 PolarHBondContact O-N 3.44Å; S535-R539 VanDerWaalsContact O-N 3.09Å; R536-R539 PolarHBondContact O-N 3.41Å; R539-K542 PolarHBondContact O-N 2.89Å; R539-K543 PolarHBondContact O-N 2.87Å; R539-K543 VanDerWaalsContact O-N 3.12Å
540L97.9Very high97Very high13 Ų1379.2 Ų79.27%0.06838%0.38CS..Hα-helixtrans-70.2-37.2177.5-71.2162000112.5I498 E501 L502 L505 R536 A537 C538 K542 K543 A544I498-L540 HydrophobicContact CG2-CB 4.07Å; I498-L540 HydrophobicContact CG2-CD2 4.06Å; I498-L540 WeakPolarHBondContact CG2-O 3.43Å; E501-L540 HydrophobicContact CB-CD1 4.44Å; E501-L540 HydrophobicContact CG-CD1 3.83Å; E501-L540 WeakPolarHBondContact OE1-CD1 3.27Å; E501-L540 WeakPolarHBondContact OE2-CD2 3.46Å; L502-L540 HydrophobicContact CD1-CB 4.48Å; L502-L540 HydrophobicContact CD2-CB 3.68Å; L502-L540 HydrophobicContact CG-CB 3.94Å; L505-L540 HydrophobicContact CD1-CD1 3.33Å; R536-L540 HydrophobicContact CG-CD1 3.86Å; R536-L540 WeakPolarHBondContact O-CG 3.12Å; R536-L540 PolarHBondContact O-N 3.01Å; A537-L540 PolarHBondContact O-N 3.5Å; C538-L540 VanDerWaalsContact C-N 3.33Å; C538-L540 PolarHBondContact O-N 2.95Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 3.44Å; L540-K543 PolarHBondContact O-N 3.4Å; L540-K543 VanDerWaalsContact O-N 3.13Å; L540-A544 WeakPolarHBondContact O-CB 3.47Å; L540-A544 PolarHBondContact O-N 3.11Å
541K98Very high97.1Very high149 Ų14976.2 Ų76.265%0.64837%0.367SS*.Hα-helixtrans-59.1-41.7173.5-174.1177.2179.5179.80110.9L502 A537 C538 A544 Q545L502-K541 HydrophobicContact CD2-CB 4.44Å; A537-K541 WeakPolarHBondContact O-CB 3.09Å; A537-K541 PolarHBondContact O-N 3.47Å; C538-K541 PolarHBondContact O-N 3.28Å; K541-A544 PolarHBondContact O-N 3.48Å; K541-Q545 WeakPolarHBondContact O-CB 3.47Å; K541-Q545 PolarHBondContact O-N 3.46Å
542K97.2Very high97.1Very high161 Ų16174 Ų7470%0.735%0.353SS*.Hα-helixtrans-65-40.1174-169.7171.6-177.9174.50112.6C538 R539 L540 Y546C538-K542 PolarHBondContact O-N 3.32Å; C538-K542 VanDerWaalsContact O-N 3.12Å; R539-K542 PolarHBondContact O-N 2.89Å; L540-K542 VanDerWaalsContact C-N 3.29Å; L540-K542 PolarHBondContact O-N 3.44Å; K542-Y546 PolarHBondContact O-N 3.02Å; K542-Y546 VanDerWaalsContact O-N 3.1Å
543K96.1Very high97Very high128 Ų12869.5 Ų69.556%0.55734%0.336SS*.Hα-helixtrans-64.7-43.6173.9-71.3-176.1175.9-173.50112.3I498 R539 L540 Y546 E547I498-K543 HydrophobicContact CD1-CB 4.06Å; R539-K543 PolarHBondContact O-N 2.87Å; R539-K543 VanDerWaalsContact O-N 3.12Å; L540-K543 PolarHBondContact O-N 3.4Å; L540-K543 VanDerWaalsContact O-N 3.13Å; K543-Y546 PolarHBondContact O-N 2.91Å; K543-E547 PolarHBondContact O-N 3.12Å
544A97.4Very high96.9Very high15 Ų1571 Ų7112%0.12434%0.34CS..Hα-helixtrans-61.8-44.3175.800000111.6L495 I498 L502 L540 K541 Y546 E547 A548L495-A544 HydrophobicContact CD1-CB 4Å; L495-A544 WeakPolarHBondContact CD1-O 3.46Å; I498-A544 HydrophobicContact CG2-CB 3.8Å; L502-A544 HydrophobicContact CD1-CB 4.06Å; L540-A544 WeakPolarHBondContact O-CB 3.47Å; L540-A544 PolarHBondContact O-N 3.11Å; K541-A544 PolarHBondContact O-N 3.48Å; A544-Y546 VanDerWaalsContact C-N 3.3Å; A544-Y546 PolarHBondContact O-N 3.35Å; A544-E547 PolarHBondContact O-N 3.39Å; A544-A548 WeakPolarHBondContact O-CB 3.5Å; A544-A548 PolarHBondContact O-N 3.05Å
545Q96.5Very high96.8Very high121 Ų12169 Ų6957%0.56532%0.323SS*.Hα-helixtrans-60.6-39.2176.1-172.6178.56.800112.1K541 N549K541-Q545 WeakPolarHBondContact O-CB 3.47Å; K541-Q545 PolarHBondContact O-N 3.46Å; Q545-N549 WeakPolarHBondContact O-CB 3.41Å; Q545-N549 PolarHBondContact O-N 2.83Å; Q545-N549 PolarHBondContact O-OD1 3.35Å
546Y95.9Very high96.7Very high86 Ų8668.9 Ų68.934%0.33732%0.318SS..Hα-helixtrans-66.2-49.2176.6-178.3-116.3000112.4D484 V485 K542 K543 A544 A548 N549 K550D484-Y546 PolarHBondContact O-OH 3.06Å; V485-Y546 PolarHBondContact O-OH 3.13Å; K542-Y546 PolarHBondContact O-N 3.02Å; K542-Y546 VanDerWaalsContact O-N 3.1Å; K543-Y546 PolarHBondContact O-N 2.91Å; A544-Y546 VanDerWaalsContact C-N 3.3Å; A544-Y546 PolarHBondContact O-N 3.35Å; Y546-A548 PolarHBondContact O-N 3.05Å; Y546-N549 WeakPolarHBondContact O-CB 3.42Å; Y546-N549 PolarHBondContact O-N 3.47Å; Y546-N549 VanDerWaalsContact O-N 3.16Å; Y546-K550 PolarHBondContact O-N 2.92Å
547E95.8Very high96.5Very high3 Ų364.9 Ų64.91%0.01431%0.306CS..Hα-helixtrans-65.7-37.7177.1-68.4-62.4148.700112.6K494 L495 K543 A544 N549 K550 V551K494-E547 HydrophobicContact CD-CG 4.03Å; K494-E547 VanDerWaalsContact CE-OE1 3.25Å; K494-E547 WeakPolarHBondContact CE-OE1 3.37Å; K494-E547 HydrophobicContact CG-CG 4.24Å; K494-E547 IonicContact NZ-OE1 3.97Å; K494-E547 PolarHBondContact NZ-OE1 3.15Å; L495-E547 HydrophobicContact CB-CB 4.15Å; L495-E547 HydrophobicContact CD1-CB 4.12Å; K543-E547 PolarHBondContact O-N 3.12Å; A544-E547 PolarHBondContact O-N 3.39Å; E547-N549 VanDerWaalsContact C-N 3.31Å; E547-N549 PolarHBondContact O-N 3.28Å; E547-K550 WeakPolarHBondContact O-CB 3.34Å; E547-K550 PolarHBondContact O-N 2.93Å; E547-K550 IonicContact OE1-NZ 3.98Å; E547-K550 PolarHBondContact OE1-NZ 3.1Å; E547-V551 PolarHBondContact O-N 3.26Å; E547-V551 VanDerWaalsContact O-N 3.08Å
548A96.9Very high96.3Very high16 Ų1666 Ų6613%0.13231%0.312CS..Hα-helixtrans-62-39.5171.700000111.5L495 A544 Y546 K550 V551 K552 V613L495-A548 HydrophobicContact CD1-CB 4.1Å; L495-A548 HydrophobicContact CD2-CB 3.95Å; A544-A548 WeakPolarHBondContact O-CB 3.5Å; A544-A548 PolarHBondContact O-N 3.05Å; Y546-A548 PolarHBondContact O-N 3.05Å; A548-K550 VanDerWaalsContact C-N 3.34Å; A548-K550 PolarHBondContact O-N 2.86Å; A548-V551 WeakPolarHBondContact O-CB 3.41Å; A548-V551 PolarHBondContact O-N 3.45Å; A548-K552 WeakPolarHBondContact O-CG 3.48Å; A548-K552 PolarHBondContact O-N 2.93Å; A548-V613 HydrophobicContact CB-CG1 4.33Å
549N96.9Very high96.1Very high82 Ų8263.5 Ų63.544%0.43929%0.291SS..Hα-helixtrans-66-34175-74.7-3.1000112.4Q545 Y546 E547 K552 L553Q545-N549 WeakPolarHBondContact O-CB 3.41Å; Q545-N549 PolarHBondContact O-N 2.83Å; Q545-N549 PolarHBondContact O-OD1 3.35Å; Y546-N549 WeakPolarHBondContact O-CB 3.42Å; Y546-N549 PolarHBondContact O-N 3.47Å; Y546-N549 VanDerWaalsContact O-N 3.16Å; E547-N549 VanDerWaalsContact C-N 3.31Å; E547-N549 PolarHBondContact O-N 3.28Å; N549-K552 PolarHBondContact O-N 3.42Å; N549-L553 WeakPolarHBondContact O-CB 3.46Å; N549-L553 PolarHBondContact O-N 2.8Å
550K95.6Very high95.9Very high7 Ų759.2 Ų59.23%0.0328%0.276CS..Hα-helixtrans-60.6-46.2169.5-59.5-171.4-169.5-174.10110.9D484 D487 T489 P490 Y546 E547 A548 L553 W554D484-K550 IonicContact OD1-NZ 2.86Å; D484-K550 PolarHBondContact OD1-NZ 3.43Å; D487-K550 WeakPolarHBondContact O-CE 3.26Å; D487-K550 PolarHBondContact O-NZ 2.74Å; T489-K550 VanDerWaalsContact O-CD 3.28Å; T489-K550 WeakPolarHBondContact O-CD 3.4Å; P490-K550 HydrophobicContact CB-CB 4.1Å; Y546-K550 PolarHBondContact O-N 2.92Å; E547-K550 WeakPolarHBondContact O-CB 3.34Å; E547-K550 PolarHBondContact O-N 2.93Å; E547-K550 IonicContact OE1-NZ 3.98Å; E547-K550 PolarHBondContact OE1-NZ 3.1Å; A548-K550 VanDerWaalsContact C-N 3.34Å; A548-K550 PolarHBondContact O-N 2.86Å; K550-L553 PolarHBondContact O-N 3.21Å; K550-W554 WeakPolarHBondContact O-CB 3.39Å; K550-W554 PolarHBondContact O-N 3.32Å
551V96Very high95.8Very high0 Ų062.3 Ų62.30%029%0.293CS..Hα-helixtrans-60.7-46176.5175.50000111.4P490 L495 E547 A548 W554 G555 F612 V613 V616 L629P490-V551 HydrophobicContact CB-CB 4.42Å; P490-V551 HydrophobicContact CB-CG2 3.77Å; L495-V551 HydrophobicContact CD2-CG2 4.34Å; E547-V551 PolarHBondContact O-N 3.26Å; E547-V551 VanDerWaalsContact O-N 3.08Å; A548-V551 WeakPolarHBondContact O-CB 3.41Å; A548-V551 PolarHBondContact O-N 3.45Å; V551-W554 PolarHBondContact O-N 2.9Å; V551-G555 PolarHBondContact O-N 3.14Å; V551-F612 HydrophobicContact CG1-CD1 4.17Å; V551-F612 HydrophobicContact CG1-CE1 3.82Å; V551-F612 WeakPolarHBondContact O-CE1 3.16Å; V551-V613 HydrophobicContact CB-CG2 4.29Å; V551-V613 HydrophobicContact CG1-CG2 3.93Å; V551-V616 HydrophobicContact CG1-CB 4.29Å; V551-V616 HydrophobicContact CG1-CG1 3.99Å; V551-V616 HydrophobicContact CG1-CG2 4.29Å; V551-L629 HydrophobicContact CG1-CD2 4.42Å
552K96.3Very high95.6Very high52 Ų5257.9 Ų57.923%0.22628%0.276CS..Hα-helixtrans-61.2-48.5177.7-69.6-179179.1-143.40112.5A548 N549 W554 G555 L556 T609 V613A548-K552 WeakPolarHBondContact O-CG 3.48Å; A548-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact O-N 3.42Å; K552-W554 VanDerWaalsContact C-N 3.27Å; K552-W554 PolarHBondContact O-N 2.79Å; K552-G555 PolarHBondContact O-N 2.87Å; K552-L556 WeakPolarHBondContact O-CB 3.16Å; K552-L556 VanDerWaalsContact O-CG 3.3Å; K552-L556 WeakPolarHBondContact O-CG 3.41Å; K552-L556 PolarHBondContact O-N 3.46Å; K552-T609 WeakPolarHBondContact CE-O 3.24Å; K552-T609 PolarHBondContact NZ-OG1 3.41Å; K552-V613 HydrophobicContact CD-CG2 4.4Å; K552-V613 HydrophobicContact CG-CG2 3.58Å
553L95.7Very high95.5Very high72 Ų7253.8 Ų53.838%0.37726%0.261SS..Hα-helixtrans-58.1-42.5177.7176.961.7000111.2L488 N549 K550 N557L488-L553 HydrophobicContact CD1-CD2 4.13Å; L488-L553 HydrophobicContact CD2-CD2 4.41Å; N549-L553 WeakPolarHBondContact O-CB 3.46Å; N549-L553 PolarHBondContact O-N 2.8Å; K550-L553 PolarHBondContact O-N 3.21Å; L553-N557 WeakPolarHBondContact O-CB 3.32Å; L553-N557 PolarHBondContact O-N 3.36Å
554W94.9Very high95.5Very high56 Ų5650.2 Ų50.221%0.21225%0.248CC..Hα-helixtrans-63.4-44.5177.6-169.796.9000112.4P490 K550 V551 K552 N557 T558 F612 L629 V630P490-W554 HydrophobicContact CG-CB 3.87Å; P490-W554 HydrophobicContact CG-CG 3.72Å; K550-W554 WeakPolarHBondContact O-CB 3.39Å; K550-W554 PolarHBondContact O-N 3.32Å; V551-W554 PolarHBondContact O-N 2.9Å; K552-W554 VanDerWaalsContact C-N 3.27Å; K552-W554 PolarHBondContact O-N 2.79Å; W554-N557 PolarHBondContact O-N 2.66Å; W554-T558 HydrophobicContact CH2-CG2 4.23Å; W554-T558 VanDerWaalsContact CH2-OG1 3.27Å; W554-T558 WeakPolarHBondContact CH2-OG1 3.46Å; W554-T558 HydrophobicContact CZ3-CG2 4.3Å; W554-T558 WeakPolarHBondContact CZ3-OG1 3.5Å; W554-T558 PolarHBondContact O-N 3.2Å; W554-T558 PolarHBondContact O-OG1 3.4Å; W554-F612 HydrophobicContact CE3-CZ 4.45Å; W554-L629 HydrophobicContact CD2-CB 4.34Å; W554-L629 HydrophobicContact CD2-CD2 4.21Å; W554-L629 HydrophobicContact CE3-CB 4.07Å; W554-L629 HydrophobicContact CE3-CD2 3.44Å; W554-L629 VanDerWaalsContact CE3-CD2 3.44Å; W554-L629 HydrophobicContact CE3-CG 4.26Å; W554-L629 HydrophobicContact CH2-CB 4.08Å; W554-L629 HydrophobicContact CZ2-CB 4.28Å; W554-L629 HydrophobicContact CZ3-CB 3.93Å; W554-L629 HydrophobicContact CZ3-CD2 3.72Å; W554-L629 HydrophobicContact CZ3-CG 4.43Å; W554-V630 HydrophobicContact CH2-CB 4.12Å; W554-V630 VanDerWaalsContact CH2-O 3.25Å; W554-V630 WeakPolarHBondContact CH2-O 3.49Å; W554-V630 WeakPolarHBondContact CZ2-O 3.33Å
555G94.9Very high95.5Very high1 Ų154.9 Ų54.91%0.0127%0.266CS..Hα-helixtrans-63.3-46.4176.700000112.6V551 K552 N557 T558 E559V551-G555 PolarHBondContact O-N 3.14Å; K552-G555 PolarHBondContact O-N 2.87Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 2.86Å; G555-T558 PolarHBondContact O-N 3.04Å; G555-E559 PolarHBondContact O-N 3.02Å
556L95.8Very high95.4Very high63 Ų6349.4 Ų49.433%0.3324%0.241SC..Hα-helixtrans-63.8-35.5177.3-68.8168.1000112.7K552 Y560 V605 A606 T609K552-L556 WeakPolarHBondContact O-CB 3.16Å; K552-L556 VanDerWaalsContact O-CG 3.3Å; K552-L556 WeakPolarHBondContact O-CG 3.41Å; K552-L556 PolarHBondContact O-N 3.46Å; L556-Y560 WeakPolarHBondContact O-CB 3.45Å; L556-Y560 PolarHBondContact O-N 2.75Å; L556-V605 HydrophobicContact CD2-CB 4.17Å; L556-V605 HydrophobicContact CD2-CG1 4.02Å; L556-V605 HydrophobicContact CG-CG1 4.07Å; L556-A606 HydrophobicContact CD2-CB 4.24Å; L556-T609 HydrophobicContact CD1-CG2 4.31Å; L556-T609 HydrophobicContact CD2-CG2 4.33Å
557N94.3Very high95.5Very high48 Ų4850.1 Ų50.126%0.25725%0.25SC..Hα-helixtrans-68-40.1173.9-158.6103.8000111.6Q466 L553 W554 G555 Y560 D561Q466-N557 PolarHBondContact NE2-OD1 3.03Å; L553-N557 WeakPolarHBondContact O-CB 3.32Å; L553-N557 PolarHBondContact O-N 3.36Å; W554-N557 PolarHBondContact O-N 2.66Å; G555-N557 VanDerWaalsContact C-N 3.34Å; G555-N557 PolarHBondContact O-N 2.86Å; N557-Y560 WeakPolarHBondContact O-CB 3.2Å; N557-Y560 PolarHBondContact O-N 2.84Å; N557-D561 PolarHBondContact ND2-OD2 2.87Å; N557-D561 VanDerWaalsContact O-CG 3.28Å; N557-D561 PolarHBondContact O-N 3.09Å
558T93.4Very high95.5Very high34 Ų3453.5 Ų53.521%0.20927%0.268CS..Hα-helixtrans-65.3-40.4177.7-54.10000111.2W554 G555 D561 N562W554-T558 HydrophobicContact CH2-CG2 4.23Å; W554-T558 VanDerWaalsContact CH2-OG1 3.27Å; W554-T558 WeakPolarHBondContact CH2-OG1 3.46Å; W554-T558 HydrophobicContact CZ3-CG2 4.3Å; W554-T558 WeakPolarHBondContact CZ3-OG1 3.5Å; W554-T558 PolarHBondContact O-N 3.2Å; W554-T558 PolarHBondContact O-OG1 3.4Å; G555-T558 PolarHBondContact O-N 3.04Å; T558-D561 PolarHBondContact O-N 3.23Å; T558-N562 WeakPolarHBondContact O-CB 3.37Å; T558-N562 PolarHBondContact O-N 3.5Å; T558-N562 PolarHBondContact O-OD1 3.29Å
559E94.5Very high95.4Very high36 Ų3654.3 Ų54.317%0.16827%0.272CS..Hα-helixtrans-62.8-44.1172-178.9175.1-14400111.9G555 N562 L563 P604 V605 A606G555-E559 PolarHBondContact O-N 3.02Å; E559-N562 PolarHBondContact O-N 3.45Å; E559-L563 HydrophobicContact CG-CD1 4Å; E559-L563 WeakPolarHBondContact O-CB 3.47Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.16Å; E559-L563 PolarHBondContact O-N 2.83Å; E559-P604 WeakPolarHBondContact OE1-CA 3.24Å; E559-P604 VanDerWaalsContact OE1-CB 3.28Å; E559-P604 WeakPolarHBondContact OE1-CB 3.47Å; E559-V605 VanDerWaalsContact CD-N 3.28Å; E559-V605 PolarHBondContact OE1-N 3.31Å; E559-V605 WeakPolarHBondContact OE2-CA 3.36Å; E559-V605 WeakPolarHBondContact OE2-CB 3.18Å; E559-V605 PolarHBondContact OE2-N 3.45Å; E559-V605 VanDerWaalsContact OE2-N 3.13Å; E559-A606 PolarHBondContact OE2-N 3.49Å
560Y95Very high95.3Very high100 Ų10051.5 Ų51.539%0.39226%0.257SS..Hα-helixtrans-59.1-46.3174.5172.7-96000112.5R457 L556 N557 N562 L563 L564R457-Y560 PolarHBondContact NE-OH 2.86Å; R457-Y560 PolarHBondContact NH2-OH 2.68Å; L556-Y560 WeakPolarHBondContact O-CB 3.45Å; L556-Y560 PolarHBondContact O-N 2.75Å; N557-Y560 WeakPolarHBondContact O-CB 3.2Å; N557-Y560 PolarHBondContact O-N 2.84Å; Y560-N562 PolarHBondContact O-N 3.27Å; Y560-L563 PolarHBondContact O-N 3.28Å; Y560-L564 HydrophobicContact CE1-CD2 4.04Å; Y560-L564 VanDerWaalsContact O-CB 3.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.28Å; Y560-L564 PolarHBondContact O-N 3.49Å
561D94.1Very high95.2Very high79 Ų7957.3 Ų57.342%0.42228%0.282SS..Hα-helixtrans-64.7-39.7179.2-68.9-34.1000111.3N557 T558 L564 F565N557-D561 PolarHBondContact ND2-OD2 2.87Å; N557-D561 VanDerWaalsContact O-CG 3.28Å; N557-D561 PolarHBondContact O-N 3.09Å; T558-D561 PolarHBondContact O-N 3.23Å; D561-L564 PolarHBondContact O-N 2.86Å; D561-F565 WeakPolarHBondContact O-CB 3.13Å; D561-F565 PolarHBondContact O-N 3.4Å
562N94.7Very high95.1Very high56 Ų5662.6 Ų62.630%0.29931%0.307SS..Hα-helixtrans-67.5-42.8175.8-71.6-4.5000112.3T558 E559 Y560 L564 F565 V566 T600 L601T558-N562 WeakPolarHBondContact O-CB 3.37Å; T558-N562 PolarHBondContact O-N 3.5Å; T558-N562 PolarHBondContact O-OD1 3.29Å; E559-N562 PolarHBondContact O-N 3.45Å; Y560-N562 PolarHBondContact O-N 3.27Å; N562-L564 VanDerWaalsContact C-N 3.34Å; N562-F565 WeakPolarHBondContact O-CB 3.25Å; N562-F565 PolarHBondContact O-N 2.95Å; N562-V566 WeakPolarHBondContact O-CG2 3.37Å; N562-V566 PolarHBondContact O-N 3.12Å; N562-T600 HydrophobicContact CB-CG2 4.01Å; N562-T600 PolarHBondContact ND2-O 3.14Å; N562-L601 HydrophobicContact CB-CD2 3.91Å
563L95.9Very high94.9Very high74 Ų7461.4 Ų61.439%0.38730%0.302SS..Hα-helixtrans-60.7-44.1173-75.3166.3000111.1E559 Y560 F565 V566 I567 L601E559-L563 HydrophobicContact CG-CD1 4Å; E559-L563 WeakPolarHBondContact O-CB 3.47Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.16Å; E559-L563 PolarHBondContact O-N 2.83Å; Y560-L563 PolarHBondContact O-N 3.28Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.32Å; L563-V566 PolarHBondContact O-N 3.09Å; L563-I567 WeakPolarHBondContact O-CB 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.09Å; L563-L601 HydrophobicContact CD2-CD1 3.67Å; L563-L601 HydrophobicContact CD2-CD2 3.97Å; L563-L601 HydrophobicContact CG-CD2 4.12Å
564L96.1Very high94.6Very high54 Ų5462.2 Ų62.228%0.28331%0.306SS..Hα-helixtrans-64.5-34.7176.7-175.660.2000111.8Y560 D561 N562 N568Y560-L564 HydrophobicContact CE1-CD2 4.04Å; Y560-L564 VanDerWaalsContact O-CB 3.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.28Å; Y560-L564 PolarHBondContact O-N 3.49Å; D561-L564 PolarHBondContact O-N 2.86Å; N562-L564 VanDerWaalsContact C-N 3.34Å; L564-N568 WeakPolarHBondContact CD1-ND2 3.32Å; L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.06Å; L564-N568 PolarHBondContact O-ND2 3.5Å
565F95.8Very high94.5Very high112 Ų11262 Ų6249%0.49131%0.311SS..Hα-helixtrans-64.5-46.6171.9175.7-91.1000112.1D561 N562 L563 N568 S569 T600D561-F565 WeakPolarHBondContact O-CB 3.13Å; D561-F565 PolarHBondContact O-N 3.4Å; N562-F565 WeakPolarHBondContact O-CB 3.25Å; N562-F565 PolarHBondContact O-N 2.95Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.32Å; F565-N568 PolarHBondContact O-N 3.42Å; F565-S569 VanDerWaalsContact O-CB 3.26Å; F565-S569 WeakPolarHBondContact O-CB 3.33Å; F565-S569 PolarHBondContact O-N 3.44Å; F565-S569 PolarHBondContact O-OG 3.24Å; F565-T600 HydrophobicContact CD1-CG2 3.65Å; F565-T600 HydrophobicContact CE1-CG2 4.27Å; F565-T600 HydrophobicContact CG-CG2 4.44Å
566V96Very high94.3Very high7 Ų765.6 Ų65.64%0.04233%0.33CS..Hα-helixtrans-61.6-46.7177.6172.60000111N562 L563 N568 S569 I570 L593 L596 I597 T600 L601N562-V566 WeakPolarHBondContact O-CG2 3.37Å; N562-V566 PolarHBondContact O-N 3.12Å; L563-V566 PolarHBondContact O-N 3.09Å; V566-N568 PolarHBondContact O-N 3.23Å; V566-S569 PolarHBondContact O-N 3.13Å; V566-I570 PolarHBondContact O-N 2.94Å; V566-L593 HydrophobicContact CG1-CD1 3.85Å; V566-L596 HydrophobicContact CG1-CB 4.17Å; V566-L596 HydrophobicContact CG2-CB 4.47Å; V566-I597 HydrophobicContact CG1-CG1 4.07Å; V566-T600 HydrophobicContact CG2-CG2 4.1Å; V566-L601 HydrophobicContact CG2-CD2 4.07Å; V566-L601 HydrophobicContact CG2-CG 4.22Å
567I96.1Very high94Very high101 Ų10166.1 Ų66.152%0.51833%0.327SS..Hα-helixtrans-60.7-44.7178.6-69.3165000111.3L563 I570 K571L563-I567 WeakPolarHBondContact O-CB 3.49Å; L563-I567 VanDerWaalsContact O-CG1 3.28Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.09Å; I567-I570 WeakPolarHBondContact O-CG2 3.3Å; I567-K571 VanDerWaalsContact O-CB 3.26Å; I567-K571 WeakPolarHBondContact O-CB 3.47Å; I567-K571 PolarHBondContact O-N 3.37Å; I567-K571 VanDerWaalsContact O-N 3.07Å
568N96.4Very high93.7Very high74 Ų7469.4 Ų69.440%0.39635%0.349SS..Hα-helixtrans-68.9-38.9176.9-77.1-61.6000112L564 F565 V566 K571 Q572L564-N568 WeakPolarHBondContact CD1-ND2 3.32Å; L564-N568 WeakPolarHBondContact O-CB 3.46Å; L564-N568 PolarHBondContact O-N 3.06Å; L564-N568 PolarHBondContact O-ND2 3.5Å; F565-N568 PolarHBondContact O-N 3.42Å; V566-N568 PolarHBondContact O-N 3.23Å; N568-K571 PolarHBondContact O-N 3.42Å; N568-Q572 WeakPolarHBondContact O-CG 3.42Å; N568-Q572 PolarHBondContact O-N 3.04Å
569S95.5Very high93.5Very high32 Ų3274.2 Ų74.222%0.22437%0.369CS..Hα-helixtrans-64.2-44.9179.5-63.20000112.2F565 V566 Q572 E573F565-S569 VanDerWaalsContact O-CB 3.26Å; F565-S569 WeakPolarHBondContact O-CB 3.33Å; F565-S569 PolarHBondContact O-N 3.44Å; F565-S569 PolarHBondContact O-OG 3.24Å; V566-S569 PolarHBondContact O-N 3.13Å; S569-Q572 PolarHBondContact O-N 2.72Å; S569-E573 PolarHBondContact O-N 2.75Å
570I94.6Very high93.1Very high24 Ų2476.7 Ų76.712%0.12338%0.383CS..Hα-helixtrans-70.9-32.4176.8-156.869.1000111.9V566 I567 E573 I574 M589 L593 L596V566-I570 PolarHBondContact O-N 2.94Å; I567-I570 WeakPolarHBondContact O-CG2 3.3Å; I570-E573 WeakPolarHBondContact O-CB 3.2Å; I570-E573 PolarHBondContact O-N 2.91Å; I570-I574 WeakPolarHBondContact O-CG1 3.18Å; I570-I574 PolarHBondContact O-N 3.4Å; I570-M589 HydrophobicContact CD1-CE 3.48Å; I570-M589 VanDerWaalsContact CD1-CE 3.48Å; I570-M589 HydrophobicContact CG1-CE 3.73Å; I570-L593 HydrophobicContact CB-CD1 4.23Å; I570-L593 HydrophobicContact CD1-CB 3.81Å; I570-L593 HydrophobicContact CD1-CD1 4.45Å; I570-L593 HydrophobicContact CG1-CB 4.18Å; I570-L593 HydrophobicContact CG1-CD1 4.14Å; I570-L593 HydrophobicContact CG2-CD1 4.3Å; I570-L596 HydrophobicContact CB-CD1 4.33Å; I570-L596 HydrophobicContact CD1-CD1 4.12Å
571K94.3Very high92.1Very high128 Ų12876.2 Ų76.256%0.55739%0.392SS*.Hα-helixtrans-62.7-44.8172.1-179.7176.4178.9176.10112.1I567 N568 E573 I574 V575I567-K571 VanDerWaalsContact O-CB 3.26Å; I567-K571 WeakPolarHBondContact O-CB 3.47Å; I567-K571 PolarHBondContact O-N 3.37Å; I567-K571 VanDerWaalsContact O-N 3.07Å; N568-K571 PolarHBondContact O-N 3.42Å; K571-E573 VanDerWaalsContact C-N 3.3Å; K571-E573 PolarHBondContact O-N 3.38Å; K571-I574 PolarHBondContact O-N 2.89Å; K571-V575 WeakPolarHBondContact O-CG2 3.41Å; K571-V575 PolarHBondContact O-N 3.13Å; K571-V575 VanDerWaalsContact O-N 3.1Å
572Q93.2Very high90.9Very high112 Ų11283.9 Ų83.952%0.52342%0.415SS..Hα-helixtrans-63.8-37.3175.3-66.4-63.1-8.100111.5N568 S569 V575 N576N568-Q572 WeakPolarHBondContact O-CG 3.42Å; N568-Q572 PolarHBondContact O-N 3.04Å; S569-Q572 PolarHBondContact O-N 2.72Å; Q572-V575 PolarHBondContact O-N 3.37Å; Q572-N576 WeakPolarHBondContact O-CB 3.33Å; Q572-N576 PolarHBondContact O-N 3.28Å; Q572-N576 PolarHBondContact O-ND2 3.16Å
573E91.3Very high89.4Confident27 Ų2787.3 Ų87.313%0.12643%0.434CS..Hα-helixtrans-61.2-44.9174.4-177.769.3168.700112.9S569 I570 K571 V575 N576 R577 M589 K592S569-E573 PolarHBondContact O-N 2.75Å; I570-E573 WeakPolarHBondContact O-CB 3.2Å; I570-E573 PolarHBondContact O-N 2.91Å; K571-E573 VanDerWaalsContact C-N 3.3Å; K571-E573 PolarHBondContact O-N 3.38Å; E573-V575 PolarHBondContact O-N 3.06Å; E573-N576 PolarHBondContact O-N 3.46Å; E573-R577 WeakPolarHBondContact O-CG 3.37Å; E573-R577 PolarHBondContact O-N 2.89Å; E573-R577 IonicContact OE1-CZ 2.66Å; E573-R577 VanDerWaalsContact OE1-CZ 3.26Å; E573-R577 IonicContact OE1-NE 3.43Å; E573-R577 PolarHBondContact OE1-NE 3.11Å; E573-R577 IonicContact OE1-NH2 2.73Å; E573-R577 PolarHBondContact OE1-NH2 3.42Å; E573-M589 HydrophobicContact CB-CE 4.27Å; E573-M589 HydrophobicContact CG-CE 3.91Å; E573-M589 HydrophobicContact CG-SD 3.68Å; E573-K592 VanDerWaalsContact CD-CE 3.46Å; E573-K592 HydrophobicContact CG-CD 3.92Å; E573-K592 VanDerWaalsContact OE1-CD 3.25Å; E573-K592 WeakPolarHBondContact OE1-CD 3.32Å; E573-K592 WeakPolarHBondContact OE1-CE 3.41Å; E573-K592 IonicContact OE1-NZ 2.93Å; E573-K592 PolarHBondContact OE1-NZ 3.05Å; E573-K592 WeakPolarHBondContact OE2-CE 3.32Å; E573-K592 IonicContact OE2-NZ 2.68Å; E573-K592 PolarHBondContact OE2-NZ 3.26Å
574I91.2Very high87.8Confident88 Ų8892.3 Ų92.345%0.45146%0.455SS..Hα-helixtrans-59.2-48.7176.4-66.4164.6000109.9I570 K571 N576 R577 V578 M589I570-I574 WeakPolarHBondContact O-CG1 3.18Å; I570-I574 PolarHBondContact O-N 3.4Å; K571-I574 PolarHBondContact O-N 2.89Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.96Å; I574-R577 PolarHBondContact O-N 2.9Å; I574-V578 HydrophobicContact CG2-CG2 4.45Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.41Å; I574-M589 HydrophobicContact CD1-CE 4.27Å; I574-M589 HydrophobicContact CG1-CE 3.47Å; I574-M589 VanDerWaalsContact CG1-CE 3.47Å; I574-M589 HydrophobicContact CG1-SD 4.4Å
575V92.1Very high86.2Confident53 Ų53101.5 Ų101.532%0.32149%0.486SS..Hα-helixtrans-59.5-44.4178.1172.30000111.2K571 Q572 E573 R577 V578 Q579K571-V575 WeakPolarHBondContact O-CG2 3.41Å; K571-V575 PolarHBondContact O-N 3.13Å; K571-V575 VanDerWaalsContact O-N 3.1Å; Q572-V575 PolarHBondContact O-N 3.37Å; E573-V575 PolarHBondContact O-N 3.06Å; V575-R577 PolarHBondContact O-N 3.08Å; V575-V578 PolarHBondContact O-N 2.95Å; V575-Q579 WeakPolarHBondContact O-CB 3.2Å; V575-Q579 WeakPolarHBondContact O-CG 3.46Å; V575-Q579 PolarHBondContact O-N 2.87Å
576N90Very high84.9Confident76 Ų7698.2 Ų98.241%0.40648%0.483SS..Hα-helixtrans-61.6-41.3178.7-72.5-21.6000112.5Q572 E573 I574 Q579 N580Q572-N576 WeakPolarHBondContact O-CB 3.33Å; Q572-N576 PolarHBondContact O-N 3.28Å; Q572-N576 PolarHBondContact O-ND2 3.16Å; E573-N576 PolarHBondContact O-N 3.46Å; I574-N576 VanDerWaalsContact C-N 3.34Å; I574-N576 PolarHBondContact O-N 2.96Å; N576-Q579 PolarHBondContact O-N 3.07Å; N576-N580 WeakPolarHBondContact O-CB 3.3Å; N576-N580 PolarHBondContact O-N 3.08Å; N576-N580 PolarHBondContact O-ND2 2.98Å
577R88.9Confident84.1Confident74 Ų74100.8 Ų100.828%0.27950%0.5SS..Hα-helixtrans-71.7-39.1178.6-69.2-175.9-168.2-152.84.8112.8E573 I574 V575 Q579 N580 P581 P587 M589E573-R577 WeakPolarHBondContact O-CG 3.37Å; E573-R577 PolarHBondContact O-N 2.89Å; E573-R577 IonicContact OE1-CZ 2.66Å; E573-R577 VanDerWaalsContact OE1-CZ 3.26Å; E573-R577 IonicContact OE1-NE 3.43Å; E573-R577 PolarHBondContact OE1-NE 3.11Å; E573-R577 IonicContact OE1-NH2 2.73Å; E573-R577 PolarHBondContact OE1-NH2 3.42Å; I574-R577 PolarHBondContact O-N 2.9Å; V575-R577 PolarHBondContact O-N 3.08Å; R577-Q579 VanDerWaalsContact C-N 3.28Å; R577-Q579 PolarHBondContact O-N 3.37Å; R577-N580 CarbonylContact O-C 3.59Å; R577-N580 PolarHBondContact O-N 3.12Å; R577-P581 WeakPolarHBondContact O-CA 3.34Å; R577-P587 VanDerWaalsContact CZ-O 3.27Å; R577-P587 PolarHBondContact NH1-O 2.94Å; R577-P587 PolarHBondContact NH2-O 3.23Å; R577-M589 VanDerWaalsContact CD-SD 3.58Å; R577-M589 VanDerWaalsContact CZ-SD 3.53Å; R577-M589 PolarHBondContact NE-SD 3.43Å; R577-M589 VanDerWaalsContact NE-SD 3.4Å
578V89Confident83.6Confident116 Ų116100.8 Ų100.870%0.70350%0.502SS*.Hα-helixtrans-63.8-35.7174.1171.70000111.2I574 V575I574-V578 HydrophobicContact CG2-CG2 4.45Å; I574-V578 WeakPolarHBondContact O-CG2 3.49Å; I574-V578 PolarHBondContact O-N 3.41Å; V575-V578 PolarHBondContact O-N 2.95Å
579Q89.4Confident83.2Confident135 Ų13599.8 Ų99.863%0.63150%0.495SS*.Hα-helixtrans-79-30.9176.1-69.8178.511.600113.6V575 N576 R577 P581V575-Q579 WeakPolarHBondContact O-CB 3.2Å; V575-Q579 WeakPolarHBondContact O-CG 3.46Å; V575-Q579 PolarHBondContact O-N 2.87Å; N576-Q579 PolarHBondContact O-N 3.07Å; R577-Q579 VanDerWaalsContact C-N 3.28Å; R577-Q579 PolarHBondContact O-N 3.37Å; Q579-P581 VanDerWaalsContact C-CD 3.42Å; Q579-P581 WeakPolarHBondContact O-CD 3.29Å
580N85.6Confident83Confident88 Ų8899.9 Ų99.947%0.47150%0.501SS..  trans-126.562.8-175.4-54.9-83.5000112.2N576 R577 R582 D583N576-N580 WeakPolarHBondContact O-CB 3.3Å; N576-N580 PolarHBondContact O-N 3.08Å; N576-N580 PolarHBondContact O-ND2 2.98Å; R577-N580 CarbonylContact O-C 3.59Å; R577-N580 PolarHBondContact O-N 3.12Å; N580-R582 PolarHBondContact O-N 3.39Å; N580-D583 PolarHBondContact O-N 3.09Å
581P74.6Confident82.8Confident90 Ų90103.8 Ų103.858%0.58452%0.519SS*.THydrogen-bonded Turntrans-67.90.3-175.828.8-37.3000114.6R577 Q579R577-P581 WeakPolarHBondContact O-CA 3.34Å; Q579-P581 VanDerWaalsContact C-CD 3.42Å; Q579-P581 WeakPolarHBondContact O-CD 3.29Å
582R67.9Low82.7Confident240 Ų240100.9 Ų100.991%0.90651%0.506SS*.THydrogen-bonded Turntrans-85.1-10.9174.9-68.5-176.8179-100.3-0.3113.5N580N580-R582 PolarHBondContact O-N 3.39Å
583D63.3Low82.7Confident128 Ų12898.6 Ų98.668%0.68450%0.497SS*.  trans-99.434180-72.9-48.8000113.5N580 R585N580-D583 PolarHBondContact O-N 3.09Å; D583-R585 PolarHBondContact O-N 3.24Å
584E61.7Low82.8Confident180 Ų180102 Ų10284%0.84151%0.513SS*.THydrogen-bonded Turntrans-61.39.6173.6-79.7-159.6133.700115.4G586E584-G586 VanDerWaalsContact C-N 3.27Å; E584-G586 PolarHBondContact O-N 3.44Å
585R63.3Low82.9Confident247 Ų247101.8 Ų101.893%0.93251%0.512SS*.THydrogen-bonded Turntrans-84.22.9176.7-138-180-59.7-126.9-0.3113.9D583D583-R585 PolarHBondContact O-N 3.24Å
586G69.6Low83Confident42 Ų42100.7 Ų100.743%0.43350%0.504SS..SBendtrans-82.4167.1174.700000113.8E584E584-G586 VanDerWaalsContact C-N 3.27Å; E584-G586 PolarHBondContact O-N 3.44Å
587P77.3Confident83.2Confident61 Ų61100.4 Ų100.440%0.39650%0.502SS..PPolyproline II helixtrans-61.5158.8175.127.2-35.3000111.9R577 Q591 K592R577-P587 VanDerWaalsContact CZ-O 3.27Å; R577-P587 PolarHBondContact NH1-O 2.94Å; R577-P587 PolarHBondContact NH2-O 3.23Å; P587-Q591 HydrophobicContact CB-CB 4.29Å; P587-K592 HydrophobicContact CG-CB 4.47Å
588N87Confident83.4Confident102 Ų102103.4 Ų103.455%0.54552%0.517SS..PPolyproline II helixtrans-57.6150.1177.9-176.4-75.2000111.2G590 Q591 K592N588-G590 VanDerWaalsContact C-N 3.27Å; N588-G590 PolarHBondContact O-N 2.9Å; N588-G590 PolarHBondContact OD1-N 3.26Å; N588-Q591 HydrophobicContact CB-CB 4.3Å; N588-Q591 HydrophobicContact CB-CG 4.04Å; N588-Q591 WeakPolarHBondContact O-CB 3.46Å; N588-Q591 PolarHBondContact O-N 3.4Å; N588-Q591 VanDerWaalsContact O-N 3.1Å; N588-K592 PolarHBondContact O-N 3.43Å
589M88Confident83.5Confident53 Ų53104.1 Ų104.126%0.26152%0.517SS..Hα-helixtrans-53.3-42.6177.7-78.6-56.4-50.100113I570 E573 I574 R577 K592 L593I570-M589 HydrophobicContact CD1-CE 3.48Å; I570-M589 VanDerWaalsContact CD1-CE 3.48Å; I570-M589 HydrophobicContact CG1-CE 3.73Å; E573-M589 HydrophobicContact CB-CE 4.27Å; E573-M589 HydrophobicContact CG-CE 3.91Å; E573-M589 HydrophobicContact CG-SD 3.68Å; I574-M589 HydrophobicContact CD1-CE 4.27Å; I574-M589 HydrophobicContact CG1-CE 3.47Å; I574-M589 VanDerWaalsContact CG1-CE 3.47Å; I574-M589 HydrophobicContact CG1-SD 4.4Å; R577-M589 VanDerWaalsContact CD-SD 3.58Å; R577-M589 VanDerWaalsContact CZ-SD 3.53Å; R577-M589 PolarHBondContact NE-SD 3.43Å; R577-M589 VanDerWaalsContact NE-SD 3.4Å; M589-K592 PolarHBondContact O-N 2.93Å; M589-L593 WeakPolarHBondContact O-CB 3.45Å; M589-L593 PolarHBondContact O-N 3.09Å
590G90.2Very high83.6Confident34 Ų3499.1 Ų99.135%0.35150%0.495SS..Hα-helixtrans-64.6-43.2175.900000112.5N588 K592 L593 E594N588-G590 VanDerWaalsContact C-N 3.27Å; N588-G590 PolarHBondContact O-N 2.9Å; N588-G590 PolarHBondContact OD1-N 3.26Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 2.96Å; G590-L593 PolarHBondContact O-N 3.08Å; G590-E594 PolarHBondContact O-N 2.85Å
591Q91.5Very high83.8Confident106 Ų10697.3 Ų97.350%0.49549%0.486SS..Hα-helixtrans-61.5-41.1175.5-69.1171.3-2900111.9P587 N588 E594 I595P587-Q591 HydrophobicContact CB-CB 4.29Å; N588-Q591 HydrophobicContact CB-CB 4.3Å; N588-Q591 HydrophobicContact CB-CG 4.04Å; N588-Q591 WeakPolarHBondContact O-CB 3.46Å; N588-Q591 PolarHBondContact O-N 3.4Å; N588-Q591 VanDerWaalsContact O-N 3.1Å; Q591-E594 PolarHBondContact O-N 2.82Å; Q591-I595 WeakPolarHBondContact O-CD1 3.41Å; Q591-I595 VanDerWaalsContact O-CG1 3.25Å; Q591-I595 WeakPolarHBondContact O-CG1 3.33Å; Q591-I595 PolarHBondContact O-N 3.14Å
592K90.9Very high84.2Confident66 Ų6696.1 Ų96.129%0.28749%0.489SS..Hα-helixtrans-71.2-32.7177.8-170.3158.8175.2174.30112.4E573 P587 N588 M589 G590 L596E573-K592 VanDerWaalsContact CD-CE 3.46Å; E573-K592 HydrophobicContact CG-CD 3.92Å; E573-K592 VanDerWaalsContact OE1-CD 3.25Å; E573-K592 WeakPolarHBondContact OE1-CD 3.32Å; E573-K592 WeakPolarHBondContact OE1-CE 3.41Å; E573-K592 IonicContact OE1-NZ 2.93Å; E573-K592 PolarHBondContact OE1-NZ 3.05Å; E573-K592 WeakPolarHBondContact OE2-CE 3.32Å; E573-K592 IonicContact OE2-NZ 2.68Å; E573-K592 PolarHBondContact OE2-NZ 3.26Å; P587-K592 HydrophobicContact CG-CB 4.47Å; N588-K592 PolarHBondContact O-N 3.43Å; M589-K592 PolarHBondContact O-N 2.93Å; G590-K592 VanDerWaalsContact C-N 3.34Å; G590-K592 PolarHBondContact O-N 2.96Å; K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 WeakPolarHBondContact O-CG 3.41Å; K592-L596 PolarHBondContact O-N 2.73Å
593L94.1Very high85.1Confident64 Ų6491 Ų9134%0.33548%0.479SS..Hα-helixtrans-66-45169.7178.657.9000111.6V566 I570 M589 G590 I595 L596 I597V566-L593 HydrophobicContact CG1-CD1 3.85Å; I570-L593 HydrophobicContact CB-CD1 4.23Å; I570-L593 HydrophobicContact CD1-CB 3.81Å; I570-L593 HydrophobicContact CD1-CD1 4.45Å; I570-L593 HydrophobicContact CG1-CB 4.18Å; I570-L593 HydrophobicContact CG1-CD1 4.14Å; I570-L593 HydrophobicContact CG2-CD1 4.3Å; M589-L593 WeakPolarHBondContact O-CB 3.45Å; M589-L593 PolarHBondContact O-N 3.09Å; G590-L593 PolarHBondContact O-N 3.08Å; L593-I595 VanDerWaalsContact C-N 3.33Å; L593-I595 PolarHBondContact O-N 2.89Å; L593-L596 PolarHBondContact O-N 3.25Å; L593-I597 HydrophobicContact CD1-CD1 3.94Å; L593-I597 HydrophobicContact CD1-CG1 4.18Å; L593-I597 HydrophobicContact CG-CD1 3.86Å; L593-I597 WeakPolarHBondContact O-CB 3.42Å; L593-I597 VanDerWaalsContact O-CG1 3.3Å; L593-I597 WeakPolarHBondContact O-CG1 3.49Å; L593-I597 PolarHBondContact O-N 3.01Å
594E93.6Very high86.5Confident99 Ų9987.7 Ų87.746%0.46347%0.465SS..Hα-helixtrans-58.7-42.4175-83.6-170.2-12400112.6G590 Q591 I597 K598G590-E594 PolarHBondContact O-N 2.85Å; Q591-E594 PolarHBondContact O-N 2.82Å; E594-I597 PolarHBondContact O-N 3.22Å; E594-K598 WeakPolarHBondContact O-CB 3.34Å; E594-K598 WeakPolarHBondContact O-CD 3.2Å; E594-K598 VanDerWaalsContact O-CG 3.23Å; E594-K598 WeakPolarHBondContact O-CG 3.41Å; E594-K598 PolarHBondContact O-N 3.18Å; E594-K598 IonicContact OE2-NZ 3.26Å; E594-K598 PolarHBondContact OE2-NZ 3.19Å
595I93Very high88.1Confident83 Ų8379.5 Ų79.543%0.42643%0.427SS..Hα-helixtrans-62.9-51.2176-69.3162.8000109.8Q591 L593 I597 K598 D599Q591-I595 WeakPolarHBondContact O-CD1 3.41Å; Q591-I595 VanDerWaalsContact O-CG1 3.25Å; Q591-I595 WeakPolarHBondContact O-CG1 3.33Å; Q591-I595 PolarHBondContact O-N 3.14Å; L593-I595 VanDerWaalsContact C-N 3.33Å; L593-I595 PolarHBondContact O-N 2.89Å; I595-I597 VanDerWaalsContact C-N 3.26Å; I595-I597 PolarHBondContact O-N 3.4Å; I595-K598 PolarHBondContact O-N 3.22Å; I595-K598 VanDerWaalsContact O-N 3.13Å; I595-D599 VanDerWaalsContact CG2-OD2 3.25Å; I595-D599 WeakPolarHBondContact CG2-OD2 3.47Å; I595-D599 WeakPolarHBondContact O-CB 3.43Å; I595-D599 VanDerWaalsContact O-CG 3.23Å; I595-D599 PolarHBondContact O-N 3.38Å
596L94Very high89.5Confident30 Ų3070.4 Ų70.416%0.15741%0.405CS..Hα-helixtrans-57.6-38.3176.6-75.5167.8000112.8V566 I570 K592 L593 T600V566-L596 HydrophobicContact CG1-CB 4.17Å; V566-L596 HydrophobicContact CG2-CB 4.47Å; I570-L596 HydrophobicContact CB-CD1 4.33Å; I570-L596 HydrophobicContact CD1-CD1 4.12Å; K592-L596 WeakPolarHBondContact O-CB 3.36Å; K592-L596 WeakPolarHBondContact O-CG 3.41Å; K592-L596 PolarHBondContact O-N 2.73Å; L593-L596 PolarHBondContact O-N 3.25Å; L596-T600 WeakPolarHBondContact O-CB 3.33Å; L596-T600 PolarHBondContact O-N 3.11Å; L596-T600 VanDerWaalsContact O-N 3.1Å; L596-T600 PolarHBondContact O-OG1 3.4Å
597I94Very high90.7Very high70 Ų7072.4 Ų72.436%0.35943%0.425SS..Hα-helixtrans-63.2-52.7174.1-76.7169.8000110.6V566 L593 E594 I595 D599 T600 L601V566-I597 HydrophobicContact CG1-CG1 4.07Å; L593-I597 HydrophobicContact CD1-CD1 3.94Å; L593-I597 HydrophobicContact CD1-CG1 4.18Å; L593-I597 HydrophobicContact CG-CD1 3.86Å; L593-I597 WeakPolarHBondContact O-CB 3.42Å; L593-I597 VanDerWaalsContact O-CG1 3.3Å; L593-I597 WeakPolarHBondContact O-CG1 3.49Å; L593-I597 PolarHBondContact O-N 3.01Å; E594-I597 PolarHBondContact O-N 3.22Å; I595-I597 VanDerWaalsContact C-N 3.26Å; I595-I597 PolarHBondContact O-N 3.4Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 2.85Å; I597-T600 PolarHBondContact O-N 2.96Å; I597-L601 HydrophobicContact CB-CD1 4.46Å; I597-L601 HydrophobicContact CG1-CD1 4.17Å; I597-L601 HydrophobicContact CG2-CD1 4.2Å; I597-L601 WeakPolarHBondContact O-CA 3.33Å; I597-L601 VanDerWaalsContact O-CB 3.27Å; I597-L601 WeakPolarHBondContact O-CB 3.47Å; I597-L601 PolarHBondContact O-N 3.01Å
598K92.8Very high91.6Very high138 Ų13874.1 Ų74.160%0.643%0.428SS*.Hα-helixtrans-67.1-32.2-176.4-71.6161.4-179.21680113E594 I595E594-K598 WeakPolarHBondContact O-CB 3.34Å; E594-K598 WeakPolarHBondContact O-CD 3.2Å; E594-K598 VanDerWaalsContact O-CG 3.23Å; E594-K598 WeakPolarHBondContact O-CG 3.41Å; E594-K598 PolarHBondContact O-N 3.18Å; E594-K598 IonicContact OE2-NZ 3.26Å; E594-K598 PolarHBondContact OE2-NZ 3.19Å; I595-K598 PolarHBondContact O-N 3.22Å; I595-K598 VanDerWaalsContact O-N 3.13Å
599D91.8Very high92Very high130 Ų13071 Ų7170%0.69541%0.413SS*.Hα-helixtrans-84.3-27-178.6-65.9-9.8000113I595 I597I595-D599 VanDerWaalsContact CG2-OD2 3.25Å; I595-D599 WeakPolarHBondContact CG2-OD2 3.47Å; I595-D599 WeakPolarHBondContact O-CB 3.43Å; I595-D599 VanDerWaalsContact O-CG 3.23Å; I595-D599 PolarHBondContact O-N 3.38Å; I597-D599 VanDerWaalsContact C-N 3.33Å; I597-D599 PolarHBondContact O-N 2.85Å
600T91.7Very high92.3Very high30 Ų3071.1 Ų71.118%0.18442%0.418CS..Hα-helixtrans-109.3-36.7-174.4-37.70000113.7N562 F565 V566 L596 I597N562-T600 HydrophobicContact CB-CG2 4.01Å; N562-T600 PolarHBondContact ND2-O 3.14Å; F565-T600 HydrophobicContact CD1-CG2 3.65Å; F565-T600 HydrophobicContact CE1-CG2 4.27Å; F565-T600 HydrophobicContact CG-CG2 4.44Å; V566-T600 HydrophobicContact CG2-CG2 4.1Å; L596-T600 WeakPolarHBondContact O-CB 3.33Å; L596-T600 PolarHBondContact O-N 3.11Å; L596-T600 VanDerWaalsContact O-N 3.1Å; L596-T600 PolarHBondContact O-OG1 3.4Å; I597-T600 PolarHBondContact O-N 2.96Å
601L88.9Confident92.6Very high51 Ų5174.5 Ų74.527%0.26743%0.425SS..  trans-92.5110.6-176.1-51.4-173.7000109.4N562 L563 V566 I597N562-L601 HydrophobicContact CB-CD2 3.91Å; L563-L601 HydrophobicContact CD2-CD1 3.67Å; L563-L601 HydrophobicContact CD2-CD2 3.97Å; L563-L601 HydrophobicContact CG-CD2 4.12Å; V566-L601 HydrophobicContact CG2-CD2 4.07Å; V566-L601 HydrophobicContact CG2-CG 4.22Å; I597-L601 HydrophobicContact CB-CD1 4.46Å; I597-L601 HydrophobicContact CG1-CD1 4.17Å; I597-L601 HydrophobicContact CG2-CD1 4.2Å; I597-L601 WeakPolarHBondContact O-CA 3.33Å; I597-L601 VanDerWaalsContact O-CB 3.27Å; I597-L601 WeakPolarHBondContact O-CB 3.47Å; I597-L601 PolarHBondContact O-N 3.01Å
602G84.8Confident92.9Very high64 Ų6471.3 Ų71.366%0.6641%0.41SS*.  trans-75.4-155.5170.100000112.2
603L86.9Confident93.2Very high133 Ų13368.8 Ų68.870%0.69640%0.4SS*.SBendtrans-60.2131.6169.1-64.1172.9000109.7
604P90.8Very high93.3Very high59 Ų5969.6 Ų69.638%0.38341%0.405SS..  trans-67.1142-179.328-34.8000111E559E559-P604 WeakPolarHBondContact OE1-CA 3.24Å; E559-P604 VanDerWaalsContact OE1-CB 3.28Å; E559-P604 WeakPolarHBondContact OE1-CB 3.47Å
605V95.1Very high93.4Very high8 Ų868.1 Ų68.15%0.04840%0.398CS..  trans-97.5-32.9178.8-174.40000110.1L556 E559 G607 Q608 T609 F612L556-V605 HydrophobicContact CD2-CB 4.17Å; L556-V605 HydrophobicContact CD2-CG1 4.02Å; L556-V605 HydrophobicContact CG-CG1 4.07Å; E559-V605 VanDerWaalsContact CD-N 3.28Å; E559-V605 PolarHBondContact OE1-N 3.31Å; E559-V605 WeakPolarHBondContact OE2-CA 3.36Å; E559-V605 WeakPolarHBondContact OE2-CB 3.18Å; E559-V605 PolarHBondContact OE2-N 3.45Å; E559-V605 VanDerWaalsContact OE2-N 3.13Å; V605-G607 PolarHBondContact O-N 2.96Å; V605-Q608 CarbonylContact O-C 3.36Å; V605-Q608 PolarHBondContact O-N 3.09Å; V605-Q608 VanDerWaalsContact O-N 3.15Å; V605-T609 HydrophobicContact CG1-CG2 4.44Å; V605-T609 WeakPolarHBondContact O-CG2 3.07Å; V605-T609 PolarHBondContact O-N 2.81Å; V605-T609 VanDerWaalsContact O-N 3.14Å; V605-F612 HydrophobicContact CB-CG 4.5Å; V605-F612 HydrophobicContact CG1-CB 3.93Å; V605-F612 HydrophobicContact CG1-CD1 3.91Å; V605-F612 HydrophobicContact CG1-CD2 4.22Å; V605-F612 HydrophobicContact CG1-CG 3.74Å; V605-F612 HydrophobicContact CG2-CD2 3.6Å; V605-F612 HydrophobicContact CG2-CE2 3.9Å; V605-F612 HydrophobicContact CG2-CG 4.01Å
606A94.2Very high93.6Very high56 Ų5664.3 Ų64.346%0.46338%0.378SS..SBendtrans-54.9133.3167.100000110.7L556 E559 Q608L556-A606 HydrophobicContact CD2-CB 4.24Å; E559-A606 PolarHBondContact OE2-N 3.49Å; A606-Q608 PolarHBondContact O-N 2.96Å
607G94.1Very high93.7Very high83 Ų8364.7 Ų64.786%0.85638%0.38SS*.SBendtrans73.3-40.9-170.800000114.4V605 T609V605-G607 PolarHBondContact O-N 2.96Å; G607-T609 PolarHBondContact O-N 3.04Å
608Q95.6Very high93.8Very high98 Ų9867.1 Ų67.146%0.45839%0.39SS..  trans-100.527.1-170.6-51.8-172.726.300113.8V605 A606 S610 E611 F612V605-Q608 CarbonylContact O-C 3.36Å; V605-Q608 PolarHBondContact O-N 3.09Å; V605-Q608 VanDerWaalsContact O-N 3.15Å; A606-Q608 PolarHBondContact O-N 2.96Å; Q608-S610 PolarHBondContact O-N 3.36Å; Q608-E611 PolarHBondContact O-N 2.91Å; Q608-F612 PolarHBondContact O-N 3.13Å; Q608-F612 VanDerWaalsContact O-N 3.11Å
609T96.1Very high93.9Very high36 Ų3663.7 Ų63.722%0.22138%0.375CS..Hα-helixtrans-63-16.3-172.669.50000115.1K552 L556 V605 G607 V613K552-T609 WeakPolarHBondContact CE-O 3.24Å; K552-T609 PolarHBondContact NZ-OG1 3.41Å; L556-T609 HydrophobicContact CD1-CG2 4.31Å; L556-T609 HydrophobicContact CD2-CG2 4.33Å; V605-T609 HydrophobicContact CG1-CG2 4.44Å; V605-T609 WeakPolarHBondContact O-CG2 3.07Å; V605-T609 PolarHBondContact O-N 2.81Å; V605-T609 VanDerWaalsContact O-N 3.14Å; G607-T609 PolarHBondContact O-N 3.04Å; T609-V613 WeakPolarHBondContact O-CG2 3.41Å
610S95.3Very high94.1Very high55 Ų5558 Ų5839%0.38535%0.345SS..Hα-helixtrans-73.4-51.5170.147.90000110.8Q608 F612 V613 N614Q608-S610 PolarHBondContact O-N 3.36Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.11Å; S610-V613 PolarHBondContact O-N 3.12Å; S610-N614 VanDerWaalsContact O-CG 3.29Å; S610-N614 PolarHBondContact O-N 2.86Å; S610-N614 PolarHBondContact O-ND2 3.38Å
611E96.4Very high94.2Very high105 Ų10560 Ų6049%0.49137%0.365SS..Hα-helixtrans-68.6-33.5-174.9-53-33.7114.900111.9Q608 V613 N614 Q615Q608-E611 PolarHBondContact O-N 2.91Å; E611-V613 PolarHBondContact O-N 3.47Å; E611-N614 PolarHBondContact O-N 2.82Å; E611-N614 PolarHBondContact OE2-ND2 3.08Å; E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 PolarHBondContact O-N 2.8Å
612F96.7Very high94.5Very high40 Ų4064.7 Ų64.718%0.17539%0.386CS..Hα-helixtrans-57.7-46.3168.4-178.3-101.8000112.3V551 W554 V605 Q608 S610 V616 L629V551-F612 HydrophobicContact CG1-CD1 4.17Å; V551-F612 HydrophobicContact CG1-CE1 3.82Å; V551-F612 WeakPolarHBondContact O-CE1 3.16Å; W554-F612 HydrophobicContact CE3-CZ 4.45Å; V605-F612 HydrophobicContact CB-CG 4.5Å; V605-F612 HydrophobicContact CG1-CB 3.93Å; V605-F612 HydrophobicContact CG1-CD1 3.91Å; V605-F612 HydrophobicContact CG1-CD2 4.22Å; V605-F612 HydrophobicContact CG1-CG 3.74Å; V605-F612 HydrophobicContact CG2-CD2 3.6Å; V605-F612 HydrophobicContact CG2-CE2 3.9Å; V605-F612 HydrophobicContact CG2-CG 4.01Å; Q608-F612 PolarHBondContact O-N 3.13Å; Q608-F612 VanDerWaalsContact O-N 3.11Å; S610-F612 VanDerWaalsContact C-N 3.32Å; S610-F612 PolarHBondContact O-N 3.11Å; F612-V616 HydrophobicContact CD1-CG2 4.42Å; F612-V616 HydrophobicContact CE1-CG2 4.08Å; F612-V616 HydrophobicContact CE2-CG2 4.31Å; F612-V616 HydrophobicContact CZ-CG2 4.03Å; F612-V616 WeakPolarHBondContact O-CB 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.46Å; F612-V616 PolarHBondContact O-N 3.43Å; F612-L629 HydrophobicContact CE1-CD2 4.01Å; F612-L629 HydrophobicContact CZ-CD2 3.63Å
613V97Very high94.7Very high12 Ų1264.2 Ų64.27%0.07338%0.381CS..Hα-helixtrans-68.4-38.6177.81730000111.3L495 A548 V551 K552 T609 S610 E611 V616 L617L495-V613 HydrophobicContact CD2-CG1 3.89Å; A548-V613 HydrophobicContact CB-CG1 4.33Å; V551-V613 HydrophobicContact CB-CG2 4.29Å; V551-V613 HydrophobicContact CG1-CG2 3.93Å; K552-V613 HydrophobicContact CD-CG2 4.4Å; K552-V613 HydrophobicContact CG-CG2 3.58Å; T609-V613 WeakPolarHBondContact O-CG2 3.41Å; S610-V613 PolarHBondContact O-N 3.12Å; E611-V613 PolarHBondContact O-N 3.47Å; V613-V616 PolarHBondContact O-N 2.76Å; V613-L617 HydrophobicContact CG1-CD1 3.96Å; V613-L617 HydrophobicContact CG1-CG 4.46Å; V613-L617 WeakPolarHBondContact O-CB 2.83Å; V613-L617 VanDerWaalsContact O-CG 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.27Å
614N96.1Very high94.9Very high82 Ų8260.9 Ų60.944%0.43936%0.363SS..Hα-helixtrans-60.8-50.1176.1-66.2-22.9000110.9S610 E611 V616 L617 E618S610-N614 VanDerWaalsContact O-CG 3.29Å; S610-N614 PolarHBondContact O-N 2.86Å; S610-N614 PolarHBondContact O-ND2 3.38Å; E611-N614 PolarHBondContact O-N 2.82Å; E611-N614 PolarHBondContact OE2-ND2 3.08Å; N614-V616 VanDerWaalsContact C-N 3.34Å; N614-V616 PolarHBondContact O-N 3.15Å; N614-L617 PolarHBondContact O-N 3.43Å; N614-L617 VanDerWaalsContact O-N 3.12Å; N614-E618 WeakPolarHBondContact O-CB 3.45Å; N614-E618 PolarHBondContact O-N 3.07Å
615Q96.3Very high94.6Very high67 Ų6760.2 Ų60.231%0.31336%0.359SS..Hα-helixtrans-64.3-36.6178.9-168.4-170.695.900112.4E611 L617 K619E611-Q615 WeakPolarHBondContact O-CB 3.49Å; E611-Q615 PolarHBondContact O-N 2.8Å; Q615-L617 VanDerWaalsContact C-N 3.33Å; Q615-K619 HydrophobicContact CG-CD 4.28Å; Q615-K619 WeakPolarHBondContact O-CB 3.22Å; Q615-K619 WeakPolarHBondContact O-CD 3.47Å; Q615-K619 VanDerWaalsContact O-CG 3.29Å; Q615-K619 WeakPolarHBondContact O-CG 3.44Å; Q615-K619 PolarHBondContact O-N 3.42Å
616V96.3Very high94.3Very high4 Ų460.8 Ų60.82%0.02436%0.362CS..Hα-helixtrans-65.5-37.7173.8167.60000111P492 V551 F612 V613 N614 T620 G627 L629P492-V616 HydrophobicContact CB-CG1 3.76Å; P492-V616 HydrophobicContact CG-CG1 4.48Å; V551-V616 HydrophobicContact CG1-CB 4.29Å; V551-V616 HydrophobicContact CG1-CG1 3.99Å; V551-V616 HydrophobicContact CG1-CG2 4.29Å; F612-V616 HydrophobicContact CD1-CG2 4.42Å; F612-V616 HydrophobicContact CE1-CG2 4.08Å; F612-V616 HydrophobicContact CE2-CG2 4.31Å; F612-V616 HydrophobicContact CZ-CG2 4.03Å; F612-V616 WeakPolarHBondContact O-CB 3.31Å; F612-V616 WeakPolarHBondContact O-CG2 3.46Å; F612-V616 PolarHBondContact O-N 3.43Å; V613-V616 PolarHBondContact O-N 2.76Å; N614-V616 VanDerWaalsContact C-N 3.34Å; N614-V616 PolarHBondContact O-N 3.15Å; V616-T620 WeakPolarHBondContact O-CB 3.4Å; V616-T620 PolarHBondContact O-N 3.48Å; V616-T620 PolarHBondContact O-OG1 2.69Å; V616-G627 WeakPolarHBondContact O-CA 3.46Å; V616-L629 HydrophobicContact CG1-CD1 4.11Å; V616-L629 HydrophobicContact CG1-CD2 4.26Å; V616-L629 HydrophobicContact CG1-CG 4.15Å; V616-L629 HydrophobicContact CG2-CD2 3.74Å; V616-L629 HydrophobicContact CG2-CG 4.33Å
617L96.8Very high93.9Very high37 Ų3758.1 Ų58.119%0.19434%0.34CS..Hα-helixtrans-72.9-37.7176.3-74.8171.4000113.1L495 L496 V613 N614 Q615 T620 A621L495-L617 HydrophobicContact CB-CD2 4.14Å; L495-L617 HydrophobicContact CD2-CD1 4.06Å; L495-L617 HydrophobicContact CD2-CD2 4.01Å; L495-L617 HydrophobicContact CD2-CG 4.21Å; L495-L617 HydrophobicContact CG-CD1 4.23Å; L495-L617 HydrophobicContact CG-CD2 3.89Å; L495-L617 HydrophobicContact CG-CG 4.5Å; L496-L617 HydrophobicContact CB-CD2 3.73Å; L496-L617 HydrophobicContact CD1-CD2 4.24Å; V613-L617 HydrophobicContact CG1-CD1 3.96Å; V613-L617 HydrophobicContact CG1-CG 4.46Å; V613-L617 WeakPolarHBondContact O-CB 2.83Å; V613-L617 VanDerWaalsContact O-CG 3.32Å; V613-L617 WeakPolarHBondContact O-CG 3.19Å; V613-L617 PolarHBondContact O-N 3.27Å; N614-L617 PolarHBondContact O-N 3.43Å; N614-L617 VanDerWaalsContact O-N 3.12Å; Q615-L617 VanDerWaalsContact C-N 3.33Å; L617-T620 CarbonylContact O-C 3.56Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.46Å; L617-A621 PolarHBondContact O-N 2.91Å
618E96.3Very high93.6Very high122 Ų12255.8 Ų55.857%0.5732%0.316SS*.Hα-helixtrans-58.1-56.3172.1179.8173.4-12800110.4N614 T620 A621 E622N614-E618 WeakPolarHBondContact O-CB 3.45Å; N614-E618 PolarHBondContact O-N 3.07Å; E618-T620 PolarHBondContact O-N 3.06Å; E618-T620 VanDerWaalsContact O-N 3.13Å; E618-A621 CarbonylContact O-C 3.46Å; E618-A621 WeakPolarHBondContact O-CA 3.33Å; E618-A621 WeakPolarHBondContact O-CB 3.31Å; E618-A621 PolarHBondContact O-N 3.33Å; E618-E622 WeakPolarHBondContact O-CG 3.34Å; E618-E622 PolarHBondContact O-N 2.96Å
619K95.1Very high93.3Very high66 Ų6651.3 Ų51.329%0.28730%0.295SS..Hα-helixtrans-54.7-34.2173.1-71.2166.5177.4173.30112.8Q615 E622 G623 N624 G627Q615-K619 HydrophobicContact CG-CD 4.28Å; Q615-K619 WeakPolarHBondContact O-CB 3.22Å; Q615-K619 WeakPolarHBondContact O-CD 3.47Å; Q615-K619 VanDerWaalsContact O-CG 3.29Å; Q615-K619 WeakPolarHBondContact O-CG 3.44Å; Q615-K619 PolarHBondContact O-N 3.42Å; K619-E622 WeakPolarHBondContact CA-OE2 3.2Å; K619-G623 PolarHBondContact O-N 2.84Å; K619-N624 HydrophobicContact CB-CB 4.49Å; K619-N624 WeakPolarHBondContact O-CA 3.49Å; K619-N624 WeakPolarHBondContact O-CB 3.49Å; K619-N624 PolarHBondContact O-N 2.87Å; K619-G627 WeakPolarHBondContact CD-O 3.3Å
620T95.6Very high92.7Very high10 Ų1055.4 Ų55.46%0.06132%0.32CS..Hα-helixtrans-72.6-33176.1-550000112.5P492 K493 L496 V616 L617 E618 G623 N624 G627P492-T620 HydrophobicContact CB-CG2 4.49Å; K493-T620 HydrophobicContact CG-CG2 3.97Å; L496-T620 HydrophobicContact CB-CG2 4.4Å; L496-T620 HydrophobicContact CD2-CG2 3.82Å; V616-T620 WeakPolarHBondContact O-CB 3.4Å; V616-T620 PolarHBondContact O-N 3.48Å; V616-T620 PolarHBondContact O-OG1 2.69Å; L617-T620 CarbonylContact O-C 3.56Å; L617-T620 WeakPolarHBondContact O-CB 3.34Å; L617-T620 PolarHBondContact O-N 3.46Å; E618-T620 PolarHBondContact O-N 3.06Å; E618-T620 VanDerWaalsContact O-N 3.13Å; T620-G623 PolarHBondContact O-N 3.45Å; T620-N624 WeakPolarHBondContact CA-O 3.25Å; T620-G627 VanDerWaalsContact OG1-CA 3.23Å; T620-G627 WeakPolarHBondContact OG1-CA 3.5Å
621A93.9Very high91.9Very high73 Ų7356 Ų5660%0.60334%0.335SS*.Hα-helixtrans-74.4-32.1174.600000112.5L496 L617 E618 G623L496-A621 HydrophobicContact CD2-CB 4.12Å; L617-A621 PolarHBondContact O-N 2.91Å; E618-A621 CarbonylContact O-C 3.46Å; E618-A621 WeakPolarHBondContact O-CA 3.33Å; E618-A621 WeakPolarHBondContact O-CB 3.31Å; E618-A621 PolarHBondContact O-N 3.33Å; A621-G623 PolarHBondContact O-N 3.24Å
622E94.3Very high91.3Very high149 Ų14952.3 Ų52.370%0.69632%0.319SS*.THydrogen-bonded Turntrans-63.2-10.3166.1-64.3175.1154.500113.1E618 K619E618-E622 WeakPolarHBondContact O-CG 3.34Å; E618-E622 PolarHBondContact O-N 2.96Å; K619-E622 WeakPolarHBondContact CA-OE2 3.2Å
623G89.7Confident90.3Very high54 Ų5461 Ų6156%0.55735%0.351SS*.THydrogen-bonded Turntrans103.9-2.1176.500000114.9K619 T620 A621 P625K619-G623 PolarHBondContact O-N 2.84Å; T620-G623 PolarHBondContact O-N 3.45Å; A621-G623 PolarHBondContact O-N 3.24Å; G623-P625 VanDerWaalsContact O-CD 3.23Å; G623-P625 WeakPolarHBondContact O-CD 3.28Å; G623-P625 VanDerWaalsContact O-N 3.15Å
624N90.4Very high89Confident63 Ų6364.7 Ų64.734%0.33737%0.369SS..  trans-67112.4175.9-173.9-30.6000110K619 T620 T626 G627 G628K619-N624 HydrophobicContact CB-CB 4.49Å; K619-N624 WeakPolarHBondContact O-CA 3.49Å; K619-N624 WeakPolarHBondContact O-CB 3.49Å; K619-N624 PolarHBondContact O-N 2.87Å; T620-N624 WeakPolarHBondContact CA-O 3.25Å; N624-T626 PolarHBondContact O-N 3.48Å; N624-T626 VanDerWaalsContact O-N 3.07Å; N624-T626 PolarHBondContact OD1-N 3.33Å; N624-T626 VanDerWaalsContact OD1-N 3.1Å; N624-T626 PolarHBondContact OD1-OG1 3.16Å; N624-T626 VanDerWaalsContact OD1-OG1 3.11Å; N624-G627 PolarHBondContact O-N 2.92Å; N624-G627 PolarHBondContact OD1-N 3.19Å; N624-G628 PolarHBondContact ND2-N 3.03Å
625P84.9Confident87.1Confident44 Ų4466.6 Ų66.629%0.28639%0.385SS..THydrogen-bonded Turntrans-67.9-14.3-17129.9-38.6000114.6K493 G623 I634K493-P625 VanDerWaalsContact CE-CA 3.44Å; K493-P625 VanDerWaalsContact CE-CB 3.41Å; G623-P625 VanDerWaalsContact O-CD 3.23Å; G623-P625 WeakPolarHBondContact O-CD 3.28Å; G623-P625 VanDerWaalsContact O-N 3.15Å; P625-I634 HydrophobicContact CB-CD1 3.93Å; P625-I634 HydrophobicContact CB-CG1 4.1Å; P625-I634 HydrophobicContact CG-CD1 3.32Å; P625-I634 HydrophobicContact CG-CG1 3.92Å
626T88.3Confident84.8Confident20 Ų2069.3 Ų69.312%0.12341%0.407CS..THydrogen-bonded Turntrans-108.30.8175.8680000112.8N624 G628 L629 L632 I634N624-T626 PolarHBondContact O-N 3.48Å; N624-T626 VanDerWaalsContact O-N 3.07Å; N624-T626 PolarHBondContact OD1-N 3.33Å; N624-T626 VanDerWaalsContact OD1-N 3.1Å; N624-T626 PolarHBondContact OD1-OG1 3.16Å; N624-T626 VanDerWaalsContact OD1-OG1 3.11Å; T626-G628 PolarHBondContact O-N 3.45Å; T626-G628 VanDerWaalsContact O-N 3.12Å; T626-G628 PolarHBondContact OG1-N 2.95Å; T626-L629 WeakPolarHBondContact O-CB 3.49Å; T626-L629 WeakPolarHBondContact O-CD1 3.35Å; T626-L629 WeakPolarHBondContact O-CG 3.46Å; T626-L629 PolarHBondContact O-N 2.77Å; T626-L632 HydrophobicContact CG2-CB 4.41Å; T626-L632 HydrophobicContact CG2-CD2 4.42Å; T626-L632 HydrophobicContact CG2-CG 4.37Å; T626-L632 VanDerWaalsContact CG2-O 3.27Å; T626-L632 WeakPolarHBondContact CG2-O 3.36Å; T626-I634 HydrophobicContact CG2-CD1 4.36Å; T626-I634 HydrophobicContact CG2-CG1 3.59Å
627G87.1Confident82.4Confident0 Ų074.2 Ų74.20%044%0.441CS..THydrogen-bonded Turntrans5918.6-173.300000114.4V616 K619 T620 N624V616-G627 WeakPolarHBondContact O-CA 3.46Å; K619-G627 WeakPolarHBondContact CD-O 3.3Å; T620-G627 VanDerWaalsContact OG1-CA 3.23Å; T620-G627 WeakPolarHBondContact OG1-CA 3.5Å; N624-G627 PolarHBondContact O-N 2.92Å; N624-G627 PolarHBondContact OD1-N 3.19Å
628G86.8Confident79.7Confident34 Ų3482.3 Ų82.335%0.35148%0.475SS..THydrogen-bonded Turntrans81.611.5-174.500000115.3N624 T626 V630N624-G628 PolarHBondContact ND2-N 3.03Å; T626-G628 PolarHBondContact O-N 3.45Å; T626-G628 VanDerWaalsContact O-N 3.12Å; T626-G628 PolarHBondContact OG1-N 2.95Å; G628-V630 PolarHBondContact O-N 3.44Å; G628-V630 VanDerWaalsContact O-N 3.11Å
629L89.8Confident76.7Confident4 Ų486.6 Ų86.62%0.02151%0.509CS..  trans-69.1104.7175.9-60170.4000110.3P490 P492 V551 W554 F612 V616 T626 G631 L632P490-L629 HydrophobicContact CB-CD1 4.17Å; P490-L629 HydrophobicContact CG-CD1 3.99Å; P492-L629 HydrophobicContact CG-CD1 4.19Å; V551-L629 HydrophobicContact CG1-CD2 4.42Å; W554-L629 HydrophobicContact CD2-CB 4.34Å; W554-L629 HydrophobicContact CD2-CD2 4.21Å; W554-L629 HydrophobicContact CE3-CB 4.07Å; W554-L629 HydrophobicContact CE3-CD2 3.44Å; W554-L629 VanDerWaalsContact CE3-CD2 3.44Å; W554-L629 HydrophobicContact CE3-CG 4.26Å; W554-L629 HydrophobicContact CH2-CB 4.08Å; W554-L629 HydrophobicContact CZ2-CB 4.28Å; W554-L629 HydrophobicContact CZ3-CB 3.93Å; W554-L629 HydrophobicContact CZ3-CD2 3.72Å; W554-L629 HydrophobicContact CZ3-CG 4.43Å; F612-L629 HydrophobicContact CE1-CD2 4.01Å; F612-L629 HydrophobicContact CZ-CD2 3.63Å; V616-L629 HydrophobicContact CG1-CD1 4.11Å; V616-L629 HydrophobicContact CG1-CD2 4.26Å; V616-L629 HydrophobicContact CG1-CG 4.15Å; V616-L629 HydrophobicContact CG2-CD2 3.74Å; V616-L629 HydrophobicContact CG2-CG 4.33Å; T626-L629 WeakPolarHBondContact O-CB 3.49Å; T626-L629 WeakPolarHBondContact O-CD1 3.35Å; T626-L629 WeakPolarHBondContact O-CG 3.46Å; T626-L629 PolarHBondContact O-N 2.77Å; L629-G631 PolarHBondContact O-N 3.38Å; L629-G631 VanDerWaalsContact O-N 3.08Å; L629-L632 HydrophobicContact CB-CB 3.89Å; L629-L632 HydrophobicContact CB-CD2 4.07Å; L629-L632 HydrophobicContact CD1-CD2 3.74Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 3.16Å; L629-L632 VanDerWaalsContact O-N 3.13Å
630V82.8Confident75.7Confident122 Ų12287.7 Ų87.774%0.73952%0.52SS*.THydrogen-bonded Turntrans-61.7102.3-171-177.50000112.8W554 G628W554-V630 HydrophobicContact CH2-CB 4.12Å; W554-V630 VanDerWaalsContact CH2-O 3.25Å; W554-V630 WeakPolarHBondContact CH2-O 3.49Å; W554-V630 WeakPolarHBondContact CZ2-O 3.33Å; G628-V630 PolarHBondContact O-N 3.44Å; G628-V630 VanDerWaalsContact O-N 3.11Å
631G79.3Confident74.7Confident68 Ų6891.7 Ų91.770%0.70154%0.544SS*.THydrogen-bonded Turntrans97.8-3.6178.500000114.7L629 R633L629-G631 PolarHBondContact O-N 3.38Å; L629-G631 VanDerWaalsContact O-N 3.08Å; G631-R633 PolarHBondContact O-N 3.29Å; G631-R633 VanDerWaalsContact O-N 3.1Å
632L83Confident73.6Confident27 Ų2792.8 Ų92.814%0.14154%0.541CS..  trans-61.8111.7163.3179.163.9000108.7T489 P490 T626 L629T489-L632 HydrophobicContact CG2-CD1 3.67Å; P490-L632 HydrophobicContact CG-CD1 4.18Å; P490-L632 HydrophobicContact CG-CD2 4.25Å; P490-L632 WeakPolarHBondContact O-CD2 3.18Å; T626-L632 HydrophobicContact CG2-CB 4.41Å; T626-L632 HydrophobicContact CG2-CD2 4.42Å; T626-L632 HydrophobicContact CG2-CG 4.37Å; T626-L632 VanDerWaalsContact CG2-O 3.27Å; T626-L632 WeakPolarHBondContact CG2-O 3.36Å; L629-L632 HydrophobicContact CB-CB 3.89Å; L629-L632 HydrophobicContact CB-CD2 4.07Å; L629-L632 HydrophobicContact CD1-CD2 3.74Å; L629-L632 WeakPolarHBondContact O-CB 3.46Å; L629-L632 PolarHBondContact O-N 3.16Å; L629-L632 VanDerWaalsContact O-N 3.13Å
633R76.5Confident72.4Confident224 Ų22489.5 Ų89.585%0.84553%0.532SS*.  trans-84.4124.3175.5-66.5-177-174.8151.14.3109.6G631 P635G631-R633 PolarHBondContact O-N 3.29Å; G631-R633 VanDerWaalsContact O-N 3.1Å; R633-P635 WeakPolarHBondContact O-CD 3.25Å
634I69.4Low71.3Confident89 Ų8991.7 Ų91.746%0.45653%0.53SS..  trans-62.9126.1168.7-42.9152.5000107.2P625 T626 T636P625-I634 HydrophobicContact CB-CD1 3.93Å; P625-I634 HydrophobicContact CB-CG1 4.1Å; P625-I634 HydrophobicContact CG-CD1 3.32Å; P625-I634 HydrophobicContact CG-CG1 3.92Å; T626-I634 HydrophobicContact CG2-CD1 4.36Å; T626-I634 HydrophobicContact CG2-CG1 3.59Å; I634-T636 PolarHBondContact O-N 2.85Å
635P57.6Low70.1Confident121 Ų12193.6 Ų93.679%0.78654%0.543SS*.  trans-65106.5163.7-16.531.3000107.5R633 S637R633-P635 WeakPolarHBondContact O-CD 3.25Å; P635-S637 PolarHBondContact O-N 3.09Å
636T46.2Very low69Low125 Ų12597.1 Ų97.177%0.76756%0.561SS**  trans-67.8105.3170.841.90000107.8I634 K638I634-T636 PolarHBondContact O-N 2.85Å; T636-K638 PolarHBondContact O-N 2.72Å; T636-K638 VanDerWaalsContact O-N 3.13Å
637S46.3Very low67.5Low106 Ų106103.1 Ų103.174%0.74160%0.595SS**  trans-53119.9164.348.40000107.4P635 V639P635-S637 PolarHBondContact O-N 3.09Å; S637-V639 PolarHBondContact O-N 2.98Å
638K40Very low65.9Low208 Ų208111.7 Ų111.790%0.90465%0.645SS**  trans-62.8125174.7-67.8-176.9178.6-178.40107.9T636T636-K638 PolarHBondContact O-N 2.72Å; T636-K638 VanDerWaalsContact O-N 3.13Å
639V33.2Very low64Low212 Ų212118.7 Ų118.7100%1.28567%0.672SS**  trans-76.20162.5-172.70000107.8S637S637-V639 PolarHBondContact O-N 2.98Å

Retrieved 639 of 639 residues in 1708.7 ms (Link to these results)