A0A3Q0KHM0_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KHM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 885 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.6Very low40.5Very low227 Ų227154 Ų154100%1.11879%0.793SS**  0103.90-69.7166.9172.100105.9
2I39.1Very low40.4Very low146 Ų146148.8 Ų148.875%0.74978%0.781SS**  68.1114.462.4-57163.2000108.6
3E37.1Very low40.2Very low140 Ų140150.2 Ų150.265%0.65478%0.781SS**  cis-154.8149.3-15.6-139.4133.612500106M5E3-M5 HydrophobicContact CG-CE 4.25Å
4S39.4Very low40.1Very low99 Ų99151.5 Ų151.569%0.69279%0.787SS**  40135.186.5-107.60000113.6
5M40.8Very low39.8Very low105 Ų105148.7 Ų148.752%0.51779%0.786SS.*  cis-172.7160.743-118.3168.8-68.900111.8E3E3-M5 HydrophobicContact CG-CE 4.25Å
6R42.1Very low39.8Very low200 Ų200146.7 Ų146.776%0.75579%0.787SS**  trans56.1114.5141.6-67.3158.7-169.8171.67118.7
7H39.3Very low39.6Very low174 Ų174144 Ų14481%0.80678%0.782SS**  55.5115.986.3-66.3-74.1000115.5
8R41.3Very low39.3Very low253 Ų253144.8 Ų144.896%0.95579%0.785SS**  -172.5163.7102.4-98.7168.1-175.9-179.90.7112.2
9G35.8Very low39.1Very low69 Ų69149.6 Ų149.671%0.71179%0.792SS**  trans-87.2-173.9-177.600000114.4
10P43.9Very low39Very low132 Ų132149.5 Ų149.586%0.85779%0.791SS**  trans-91.6166.1-162.236.7-37.7000115.1
11T42.9Very low39Very low149 Ų149149.3 Ų149.391%0.91479%0.791SS**  trans-127.7161.1157.942.60000109.7
12S40.2Very low38.9Very low92 Ų92145.9 Ų145.964%0.64377%0.769SS**  trans-108.1169.7-16560.70000114.6
13E37.5Very low38.9Very low166 Ų166146.2 Ų146.278%0.77677%0.768SS**  trans56.6124.7152.4-67.6150.4-105.500120.4
14I38.6Very low38.9Very low169 Ų169144.7 Ų144.787%0.86777%0.771SS**  -178.2149110.6-91.6157.6000109.9
15S35.9Very low38.9Very low110 Ų110145.9 Ų145.977%0.76977%0.774SS**  trans-90.2152.9-174.6-54.80000114.4
16S39Very low38.9Very low116 Ų116149.1 Ų149.181%0.81179%0.788SS**  trans-165.5127.5142.5-83.30000108.3
17S36.2Very low38.8Very low101 Ų101144.7 Ų144.771%0.70678%0.784SS**  89.7114.357.5-166.40000112.5
18L34Very low38.8Very low158 Ų158142.3 Ų142.383%0.82778%0.782SS**  trans38.6123.6152.7-57.7173.4000120.4
19Y36.6Very low38.7Very low237 Ų237136.1 Ų136.193%0.92977%0.766SS**  trans-146.9158.3132.2-132.8-93.1000111.6
20L36.5Very low38.7Very low147 Ų147140 Ų14077%0.7777%0.77SS**  trans-115.7146.2-175.1-79.7153.7000111
21D40.3Very low38.4Very low146 Ų146138.2 Ų138.278%0.78176%0.76SS**  trans177.7170.1141.7-98.6-11000110.5
22K40Very low38.2Very low154 Ų154135.9 Ų135.967%0.6775%0.746SS**  -178151.6-59.2-117.2178.3162.2-171.50109.3
23H39.5Very low38.1Very low153 Ų153137.7 Ų137.771%0.70875%0.749SS**  trans51.9123.1159.5-57.3-61.5000121.4
24C37.4Very low38.1Very low109 Ų109134.6 Ų134.674%0.73675%0.745SS**  166.4117.8118.6-88.60000109.5
25T39.8Very low38Very low123 Ų123130.6 Ų130.676%0.75573%0.732SS**  58.1136.497.566.10000113.9
26E40.6Very low38.3Very low173 Ų173134.3 Ų134.381%0.80874%0.735SS**  cis-139.9146.728.7-75.5-177.398.900111.6
27T39.2Very low38.2Very low107 Ų107133 Ų13366%0.65673%0.726SS**  78.5117.971.8-39.20000115.5I29T27-I29 HydrophobicContact CG2-CD1 4.4Å
28T39.5Very low38.5Very low125 Ų125134.1 Ų134.177%0.76772%0.724SS**  trans16395.1145.1-68.90000107.3
29I38.4Very low38.8Very low123 Ų123134.1 Ų134.163%0.63172%0.719SS**  72.1102.386.1-64.9163.9000110.2T27T27-I29 HydrophobicContact CG2-CD1 4.4Å
30L36.1Very low39.1Very low151 Ų151130.3 Ų130.379%0.79171%0.71SS**  66.6142.590.7-63.9161.5000112.5
31S37.4Very low39.4Very low93 Ų93128.7 Ų128.765%0.6571%0.711SS**  cis-141.7162.923.6-105.60000110.9
32T39.6Very low39.4Very low100 Ų100124.8 Ų124.861%0.61371%0.705SS**  54140.866.783.50000113
33D38.3Very low39.6Very low131 Ų131124.3 Ų124.370%0.70171%0.709SS**  cis-150.2151.633.3-92.8-74.4000111.8
34S38Very low39.6Very low100 Ų100126.8 Ų126.870%0.69971%0.713SS**  68.4151.586.7117.60000115.3
35S36.5Very low39.6Very low85 Ų85126 Ų12659%0.59471%0.707SS**  cis-166.8175.9-1.244.60000111.1
36K40.8Very low39.7Very low189 Ų189125.8 Ų125.882%0.82271%0.706SS**  trans73.4162.3164.3-56.6167.5-172.2172.60117.9
37S37.6Very low39.8Very low89 Ų89123 Ų12362%0.62270%0.704SS**  cis-167167.9-41.259.70000110.3
38D42.4Very low39.8Very low124 Ų124124.2 Ų124.266%0.66371%0.71SS**  trans72134.7153.5-62.9-57.5000122.7
39Q41.1Very low39.6Very low157 Ų157123.9 Ų123.973%0.73471%0.708SS**  trans67.8144.6148.8-65.4166.951.200118.7
40Q42.4Very low39.6Very low157 Ų157121.6 Ų121.673%0.73470%0.703SS**  cis-157.2162.9-11.7-125.2168.621.200110.5
41S42.7Very low39.6Very low114 Ų114123 Ų12380%0.79770%0.703SS**  trans29.8127.8158.357.80000121
42G40.2Very low39.7Very low64 Ų64124.6 Ų124.666%0.6671%0.709SS**  cis150.9-168.83.600000111.5
43I43.6Very low39.7Very low144 Ų144125.2 Ų125.274%0.73872%0.718SS**  trans66.9119.3164.8-59.8169.8000114.9
44Y39.8Very low39.6Very low204 Ų204122.2 Ų122.280%0.872%0.717SS**  cis-164.5164.6-8.9-86.6-27.6000105
45C37.7Very low39.8Very low92 Ų92126.1 Ų126.162%0.62273%0.728SS**  cis-162.6151.3-18.2-102.80000105.4
46T41Very low39.5Very low119 Ų119126.1 Ų126.173%0.7373%0.729SS**  cis72.1125.918.275.60000116.9
47P44.4Very low39.5Very low116 Ų116122.9 Ų122.975%0.75373%0.727SS**  cis-127.4-141.5-9.338-15.1000111.2
48V39.2Very low39.5Very low131 Ų131124.1 Ų124.179%0.79473%0.73SS**  cis-143.6141.146.6178.10000110.7
49T35.1Very low39.1Very low119 Ų119125.5 Ų125.573%0.7374%0.737SS**  trans-114.4169.317058.70000111.2
50S37.4Very low38.8Very low74 Ų74122.6 Ų122.652%0.51773%0.734SS.*  133.2149.512169.70000116.7
51K37.3Very low38.5Very low180 Ų180126.3 Ų126.378%0.78374%0.741SS**  trans73.9149.4160.9-61.2141.6-164.7148.40115.8
52T39.3Very low38Very low127 Ų127129 Ų12978%0.77975%0.745SS**  cis-142.1146.76.2-13.40000113
53S39.4Very low37.8Very low114 Ų114133.8 Ų133.880%0.79775%0.751SS**  trans-42.2150.816450.50000117.7
54G36.6Very low37.6Very low67 Ų67132.5 Ų132.569%0.69175%0.751SS**  trans169.892.5156.200000119.5
55I41.1Very low37.4Very low182 Ų182128.3 Ų128.393%0.93375%0.752SS**  trans72.5156.3144.5-55.4165.4000118
56S30Very low37.3Very low86 Ų86131.3 Ų131.360%0.60176%0.762SS**  trans-98.9152.7-175.3-165.70000112.5
57P41.2Very low37.1Very low121 Ų121132.9 Ų132.979%0.78677%0.771SS**  -128.6165.190.28.414.9000112.1
58V38Very low36.7Very low115 Ų115131.7 Ų131.770%0.69777%0.766SS**  cis83.7110.137.6-177.70000114.8
59L34.1Very low36.3Very low153 Ų153132.5 Ų132.580%0.80177%0.766SS**  trans74.3108.9160.6-69.6168.2000123
60S35.2Very low36.2Very low95 Ų95131.1 Ų131.166%0.66476%0.76SS**  66.1113.3121.1-63.10000124.3
61R34.2Very low36Very low235 Ų235136.9 Ų136.989%0.88778%0.776SS**  trans45.3124.2132.2-57.5-177.9-178.5-170.11.1119.9
62L33.8Very low35.9Very low170 Ų170132.3 Ų132.389%0.8977%0.766SS**  -166.7176.1104.1-105.1169.4000114.3
63H35.1Very low35.7Very low166 Ų166134.3 Ų134.377%0.76977%0.767SS**PPolyproline II helixtrans-60.3155.4-166-113.2-104.8000118.3
64P39.5Very low35.4Very low116 Ų116134.1 Ų134.175%0.75377%0.766SS**PPolyproline II helixtrans-74156.7151.534.3-34000111.7
65S36.4Very low35.3Very low117 Ų117138.7 Ų138.782%0.81877%0.774SS**PPolyproline II helixtrans-94163-161.853.50000116.5
66N35.3Very low34.8Very low155 Ų155141.5 Ų141.583%0.82977%0.773SS**PPolyproline II helixtrans-64157.8170.5-64.3-54.1000113.1
67V36.2Very low35.2Very low151 Ų151143.3 Ų143.392%0.91578%0.78SS**  trans-123136.9142.1-1710000107.3
68S35.3Very low35Very low92 Ų92144.1 Ų144.164%0.64377%0.773SS**  trans-111.2150.2-167.955.10000113.3
69N32.8Very low34.6Very low148 Ų148148 Ų14879%0.79178%0.776SS**  trans176.3154.1140.2-91.7-13.7000110.3
70C31.3Very low34.8Very low90 Ų90148.5 Ų148.561%0.60877%0.774SS**  cis-167.2169.4-33-118.90000108.9
71F33.5Very low34.7Very low194 Ų194150.9 Ų150.985%0.85178%0.779SS**  trans66.6149.8174.2-59.6-82.5000118.5
72S35.3Very low34.9Very low84 Ų84149.4 Ų149.459%0.58778%0.779SS**  cis-168.5148.5-39.3-113.40000111.1
73Q36.3Very low34.9Very low170 Ų170150.9 Ų150.979%0.79478%0.778SS**  trans41.4108.6145.9-59.2170.51.200117.9
74S31.4Very low35Very low110 Ų110147.9 Ų147.977%0.76978%0.776SS**  60.2108.966.2-52.30000115.1
75N34.4Very low35Very low163 Ų163151.7 Ų151.787%0.87278%0.781SS**  -160.2143.1127.3-109.8-45.8000112.4
76R30.8Very low35.1Very low241 Ų241157.5 Ų157.591%0.90979%0.786SS**  trans-146.194.7-179.1-171.1-175.4-170.8-171.74.5110.3
77V38.3Very low35Very low124 Ų124155.9 Ų155.975%0.75279%0.787SS**  trans-112.9104.2-179.8-175.50000106.8
78Q37Very low35.1Very low137 Ų137153.5 Ų153.564%0.6478%0.777SS**  59.511786.4-78.3-148.424.200116.1
79R30.1Very low35.3Very low197 Ų197157.2 Ų157.274%0.74379%0.785SS**  trans51.4122.5143-53.2174.2173.2173-3.6117.5
80H37.8Very low35.5Very low164 Ų164157.2 Ų157.276%0.75978%0.784SS**  -165.5156.771-109.3-87000113.5
81D34.8Very low35.6Very low145 Ų145160.5 Ų160.578%0.77580%0.795SS**  trans-73.8142.4167.4-58.9-95.7000112.9
82F37.1Very low35.7Very low203 Ų203156.5 Ų156.589%0.8979%0.791SS**  trans-147.1146.4153.6-101.1-75.3000111.6
83K33.9Very low35.8Very low202 Ų202159.5 Ų159.588%0.87880%0.8SS**  trans-152.886.5-161.7-172.4-179.5-179.11780113.5
84S38.4Very low35.7Very low103 Ų103158.1 Ų158.172%0.7280%0.798SS**  trans-151115.1171.448.30000109.6
85K38.2Very low35.9Very low196 Ų196158 Ų15885%0.85280%0.797SS**  59.7105.882.9-76.8-168.8175.5-176.20113.9
86Y38.6Very low36Very low238 Ų238154 Ų15493%0.93378%0.782SS**  trans-136146.7139.7-104.4-87.6000108.4
87S33.1Very low36.5Very low121 Ų121149.7 Ų149.785%0.84677%0.772SS**  trans-159.3112.1-172.4179.30000111.3
88S38Very low36.5Very low101 Ų101150.6 Ų150.671%0.70677%0.768SS**  trans-175.7144178.4490000109.8
89Q39.6Very low36.6Very low171 Ų171150.2 Ų150.280%0.79977%0.769SS**  cis-166.4-178.6-12.1-122.7-168.617.800109.3
90L38.3Very low37.1Very low148 Ų148146.7 Ų146.778%0.77577%0.765SS**  trans84.7135.8164.6-51.1-171.8000119
91N32.8Very low37.3Very low159 Ų159147.5 Ų147.585%0.8577%0.766SS**  trans-119.2-151.4-177.7-60.5-55.4000109.3
92S35Very low37.5Very low109 Ų109146.4 Ų146.476%0.76277%0.77SS**  trans88.9138.3164.277.10000116.5
93L38.6Very low37.5Very low147 Ų147140.4 Ų140.477%0.7777%0.766SS**  cis-155.3176.7-3.5-116.6164.7000111.9
94N33.7Very low37.5Very low142 Ų142141.4 Ų141.476%0.75976%0.764SS**  trans-48174-179.9-46.8-23000116.1
95S35.3Very low37.5Very low107 Ų107146.8 Ų146.875%0.74877%0.77SS**  cis-154.3-166.414.6-148.40000109.4
96S37.7Very low37.6Very low80 Ų80143.4 Ų143.456%0.55976%0.76SS**  cis-159176.43.8-142.40000111.5
97Q41Very low37.7Very low150 Ų150140 Ų14070%0.70176%0.758SS**  trans33.6144.3149.1-70.6155.9-84.600121.8
98E38.2Very low37.7Very low143 Ų143142 Ų14267%0.66875%0.753SS**  cis-146.5132.56.6-114.6146.3-140.800108.7
99I39.5Very low37.9Very low129 Ų129148.6 Ų148.666%0.66276%0.763SS**  58.8106.789.6-58.9174.8000111.8
100N40.4Very low37.9Very low123 Ų123149.8 Ų149.866%0.65877%0.765SS**  -153.114660.8-94.4-59.6000115.7
101K41.5Very low38Very low180 Ų180149.9 Ų149.978%0.78377%0.765SS**  12.2144.3125.7-56.6163.3-166.2159.90118.2
102S39.7Very low38.3Very low122 Ų122153.2 Ų153.285%0.85377%0.766SS**  cis-174.2150-1.448.70000111.1
103G35.4Very low38.7Very low77 Ų77157 Ų15779%0.79477%0.769SS**  trans168.9121.3166.700000115.6
104R35.5Very low38.7Very low224 Ų224159.3 Ų159.385%0.84577%0.772SS**  trans-65143.8172.7-51.4166-170.1159.61.6108.6
105Y37.2Very low38.7Very low215 Ų215157.6 Ų157.684%0.84377%0.772SS**  -15916659.3-111.4-84.2000113.9
106I39.9Very low39Very low125 Ų125162.2 Ų162.264%0.64178%0.778SS**  trans-95.2140.2-179.1-63.7162.7000110.9
107N41.6Very low38.8Very low168 Ų168169.1 Ų169.190%0.89879%0.792SS**  trans-152.7107.7146.2-118-44.2000112.7
108H33Very low38.6Very low161 Ų161170.2 Ų170.275%0.74580%0.797SS**  trans-91.8110.5177.8-65.6-78.8000111.3
109R42.6Very low38.5Very low240 Ų240168.4 Ų168.491%0.90680%0.796SS**  trans-106.1112.9156.2-93.6-173175.3-175.8-0110.9I111R109-I111 PolarHBondContact O-N 2.92Å
110K39.2Very low38.1Very low196 Ų196172.3 Ų172.385%0.85280%0.803SS**  trans-73.293-178.2-65.9172.7-179.4171.30110R112K110-R112 VanDerWaalsContact C-N 3.27Å; K110-R112 PolarHBondContact O-N 3.37Å
111I40.8Very low38Very low151 Ų151174.3 Ų174.377%0.77481%0.806SS**  trans-67.887.9170-57.3178.8000108.6R109 K113R109-I111 PolarHBondContact O-N 2.92Å; I111-K113 HydrophobicContact CG2-CG 4.35Å; I111-K113 PolarHBondContact O-N 2.99Å
112R39.4Very low37.7Very low229 Ų229172.6 Ų172.686%0.86480%0.8SS**  trans-74.179.1177-169.3176.1-172.9171.32.6109.1K110 K114K110-R112 VanDerWaalsContact C-N 3.27Å; K110-R112 PolarHBondContact O-N 3.37Å; R112-K114 PolarHBondContact O-N 2.98Å
113K41.6Very low37.7Very low189 Ų189174.7 Ų174.782%0.82280%0.799SS**  trans-50.796.8173.7-79.3-173.3174.4-178.80109.9I111 S115I111-K113 HydrophobicContact CG2-CG 4.35Å; I111-K113 PolarHBondContact O-N 2.99Å; K113-S115 PolarHBondContact O-N 3.12Å
114K38.9Very low37.6Very low194 Ų194178.4 Ų178.484%0.84380%0.8SS**  trans-69.587.8162.6-83.6-175.5175.5176.10106.8R112 K116R112-K114 PolarHBondContact O-N 2.98Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 3.47Å
115S34.4Very low37.7Very low107 Ų107170 Ų17075%0.74878%0.784SS**  trans-58.8100.8165-178.40000107.5K113 R117K113-S115 PolarHBondContact O-N 3.12Å; S115-R117 PolarHBondContact O-N 3.16Å
116K40.5Very low37.5Very low203 Ų203166.4 Ų166.488%0.88378%0.779SS**  trans-7185.5171.5-173.3-177.9180-172.20105.6K114 E118K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 3.47Å; K116-E118 VanDerWaalsContact C-N 3.27Å; K116-E118 PolarHBondContact O-N 3.24Å
117R34.3Very low37.7Very low225 Ų225167.6 Ų167.685%0.84978%0.784SS**  trans-61.991.9-179.2-175.7-179.3-174.8176.31.7108.4S115 T119S115-R117 PolarHBondContact O-N 3.16Å; R117-T119 PolarHBondContact O-N 3.44Å; R117-T119 VanDerWaalsContact O-N 3.11Å
118E37.6Very low37.4Very low174 Ų174165.2 Ų165.281%0.81377%0.771SS**  trans-61.3113.5178-174.1155.6-162.900108.6K116 R120K116-E118 VanDerWaalsContact C-N 3.27Å; K116-E118 PolarHBondContact O-N 3.24Å; E118-R120 PolarHBondContact O-N 3.2Å
119T35.7Very low37.8Very low105 Ų105165.8 Ų165.864%0.64477%0.774SS**  trans-76.175.1178.947.30000108.6R117 F121R117-T119 PolarHBondContact O-N 3.44Å; R117-T119 VanDerWaalsContact O-N 3.11Å; T119-F121 VanDerWaalsContact C-N 3.28Å; T119-F121 WeakPolarHBondContact O-CD2 3.44Å; T119-F121 PolarHBondContact O-N 2.85Å
120R31.8Very low37.7Very low211 Ų211160.6 Ų160.680%0.79676%0.764SS**  trans-59.692.9166.4-168.4-177.2-158.9-171.17.5107.5E118 Q122E118-R120 PolarHBondContact O-N 3.2Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.28Å
121F37.2Very low37.8Very low165 Ų165159.8 Ų159.872%0.72476%0.761SS**  trans-66.689.4173.1-78-84.4000108.3T119 M123T119-F121 VanDerWaalsContact C-N 3.28Å; T119-F121 WeakPolarHBondContact O-CD2 3.44Å; T119-F121 PolarHBondContact O-N 2.85Å; F121-M123 VanDerWaalsContact C-N 3.26Å; F121-M123 PolarHBondContact O-N 3.39Å
122Q34.8Very low38.2Very low143 Ų143159.7 Ų159.767%0.66876%0.757SS**  trans-67.290.9165.9-75.3-176.2-50.600108R120 N124R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.28Å; Q122-N124 PolarHBondContact O-N 3.12Å
123M40.4Very low38.3Very low167 Ų167154.7 Ų154.782%0.82376%0.757SS**  trans-7583.2166.3-65.3-166.3177.200107.7F121 G125F121-M123 VanDerWaalsContact C-N 3.26Å; F121-M123 PolarHBondContact O-N 3.39Å; M123-G125 PolarHBondContact O-N 3.12Å
124N34Very low38.4Very low154 Ų154151.5 Ų151.582%0.82475%0.748SS**  trans-71.572.5170.7-73.37.5000109.3Q122Q122-N124 PolarHBondContact O-N 3.12Å
125G37.2Very low38.7Very low48 Ų48150.4 Ų150.450%0.49574%0.743SS.*  trans-130.7125.7168.100000107.5M123 M127M123-G125 PolarHBondContact O-N 3.12Å; G125-M127 PolarHBondContact O-N 3.05Å
126N32.9Very low39.2Very low139 Ų139149 Ų14974%0.74373%0.731SS**  trans-70.7115.4-170.7-163.540.7000110.6D128N126-D128 PolarHBondContact ND2-OD2 3.12Å
127M43Very low39.3Very low151 Ų151144.5 Ų144.574%0.74472%0.72SS**  trans-120.163-177.4-75.2-73162.200109.3G125G125-M127 PolarHBondContact O-N 3.05Å
128D35.9Very low39.5Very low117 Ų117140 Ų14063%0.62671%0.711SS**  trans-68.7146.3171.5-77.4-46.8000111N126N126-D128 PolarHBondContact ND2-OD2 3.12Å
129Q42.3Very low39.6Very low174 Ų174139.1 Ų139.181%0.81370%0.701SS**SBendtrans82.5100.6169.1-52.2177.52500118.1
130N39.4Very low39.6Very low131 Ų131141.2 Ų141.270%0.70170%0.697SS**  trans64.146.4145.5-74.915.2000121.7H132N130-H132 PolarHBondContact O-N 3.33Å; N130-H132 VanDerWaalsContact O-N 3.13Å
131F41.8Very low39.9Very low179 Ų179137.8 Ų137.879%0.78570%0.7SS**  trans-77.686.4154.1-72.9-73.2000111.9
132H48.7Very low40Very low148 Ų148139.1 Ų139.169%0.68570%0.701SS**  trans-83123.7169.7-63.8-58.2000111.3N130 L134N130-H132 PolarHBondContact O-N 3.33Å; N130-H132 VanDerWaalsContact O-N 3.13Å; H132-L134 PolarHBondContact O-N 2.93Å
133S42Very low40.2Very low124 Ų124140 Ų14087%0.86770%0.703SS**  trans-66100174.1-600000111.3K135S133-K135 PolarHBondContact O-N 3.38Å; S133-K135 VanDerWaalsContact O-N 3.15Å
134L43.9Very low40.1Very low123 Ų123137.5 Ų137.564%0.64470%0.702SS**  trans-78.9100.7-171.9-154.7162.8000111.3H132 V136H132-L134 PolarHBondContact O-N 2.93Å; L134-V136 HydrophobicContact CD2-CG2 3.92Å; L134-V136 PolarHBondContact O-N 3.3Å
135K45.7Very low40.2Very low170 Ų170136.7 Ų136.774%0.73970%0.697SS**  trans-73.777.9-175.9-169.8175.3-1791740112.9S133 T137S133-K135 PolarHBondContact O-N 3.38Å; S133-K135 VanDerWaalsContact O-N 3.15Å; K135-T137 PolarHBondContact O-N 3.39Å; K135-T137 PolarHBondContact O-OG1 3.39Å
136V43.2Very low40.4Very low79 Ų79144.2 Ų144.248%0.47972%0.717SS.*  trans-60.4121177.9-1780000111L134 I138L134-V136 HydrophobicContact CD2-CG2 3.92Å; L134-V136 PolarHBondContact O-N 3.3Å; V136-I138 HydrophobicContact CG1-CG1 4.25Å
137T42.9Very low40.5Very low107 Ų107145.4 Ų145.466%0.65672%0.719SS**  trans-119.6111.3-179.6-60.60000110.6K135K135-T137 PolarHBondContact O-N 3.39Å; K135-T137 PolarHBondContact O-OG1 3.39Å
138I38.4Very low40.4Very low130 Ų130146.9 Ų146.967%0.66772%0.724SS**  trans-96.3108.6-178.7-57177.9000110.1V136V136-I138 HydrophobicContact CG1-CG1 4.25Å
139R40.1Very low40.4Very low157 Ų157149.3 Ų149.359%0.59274%0.737SS**  trans-81.6144173.3-74.1178.7166.8161.8-4.6111T841R139-T841 PolarHBondContact NH1-OG1 3.35Å
140R35Very low40Very low148 Ų148144.2 Ų144.256%0.55873%0.732SS**  trans-128.5130.2166-89.7-172.5172-173.8-3.5108.4M282R140-M282 PolarHBondContact NH2-SD 2.93Å; R140-M282 VanDerWaalsContact NH2-SD 3.45Å
141T38.2Very low39.9Very low140 Ų140145.8 Ų145.886%0.85974%0.739SS**  trans-87.2138.8168.945.80000109.6
142Y40.1Very low39.3Very low192 Ų192143.5 Ų143.575%0.75374%0.743SS**  trans-91.3119.3172.6-64.7-68.3000109.4
143K38.7Very low38.6Very low162 Ų162140.8 Ų140.870%0.70475%0.746SS**  trans-101.5115.4154.1-74-157171.7-158.40107.9N145K143-N145 PolarHBondContact O-N 2.98Å
144S37.8Very low38.1Very low114 Ų114142.6 Ų142.680%0.79775%0.745SS**  trans-77.183.6179.137.50000110.5K146S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.37Å
145N37.9Very low37.7Very low138 Ų138143.2 Ų143.274%0.73875%0.753SS**  trans-67.688.1165.1-81.517.8000109.4K143 M147K143-N145 PolarHBondContact O-N 2.98Å; N145-M147 PolarHBondContact O-N 3.05Å
146K39.6Very low37.2Very low206 Ų206141.9 Ų141.990%0.89675%0.754SS**  trans-6491.9154.8-78.4-171.9173.7-173.60107.4S144 E148S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.37Å; K146-E148 PolarHBondContact O-N 2.84Å
147M37.1Very low36.8Very low163 Ų163144.2 Ų144.280%0.80377%0.769SS**  trans-77.699.2163.6-76.3-174.862.600107.8N145N145-M147 PolarHBondContact O-N 3.05Å
148E40.1Very low36.8Very low182 Ų182144.8 Ų144.885%0.8577%0.774SS**  trans-78.7140.1167-170.1157.2-153.600109.1K146 G150K146-E148 PolarHBondContact O-N 2.84Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.02Å
149N34.7Very low36.7Very low168 Ų168146.5 Ų146.590%0.89879%0.785SS**  trans-79.277.9-171.1-76-18.7000111.5
150G35.5Very low36.5Very low68 Ų68142 Ų14270%0.70179%0.788SS**  trans-114.7102.6178.200000113.4E148E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.02Å
151I36.2Very low36.6Very low164 Ų164140.1 Ų140.184%0.84180%0.797SS**  trans2.9120.9162.3-56.5171.7000116.9
152C29.2Very low36.6Very low130 Ų130140.1 Ų140.188%0.87879%0.791SS**  trans-74.3127.3166.2-57.10000111.6
153A34.6Very low36.3Very low91 Ų91137.4 Ų137.475%0.75279%0.789SS**  trans-133.7128.5163.500000109.4
154I31.9Very low36.2Very low162 Ų162137.1 Ų137.183%0.83179%0.79SS**  trans-102.5110.3-179.2-58.6166.5000108.3
155V35.3Very low36.1Very low136 Ų136137.2 Ų137.282%0.82478%0.782SS**  trans-141.7140.4160.6-173.50000108.4
156N35.1Very low36.1Very low142 Ų142137.6 Ų137.676%0.75978%0.782SS**  trans-79.2148.6-177.7-49.8-56.5000111.6P158N156-P158 WeakPolarHBondContact O-CD 3.43Å
157T34.9Very low35.8Very low129 Ų129132.8 Ų132.879%0.79177%0.774SS**  trans-94.7114.3166.748.10000110.6
158P42.8Very low35.6Very low118 Ų118129.1 Ų129.177%0.76676%0.764SS**  trans-88.3111.116232.5-27.9000109.8N156 G160N156-P158 WeakPolarHBondContact O-CD 3.43Å; P158-G160 PolarHBondContact O-N 2.76Å
159D37Very low35.5Very low166 Ų166129.7 Ų129.789%0.88876%0.763SS**  trans-68.1124.4162.5-73.7-52.2000108.8
160G35.2Very low35.6Very low64 Ų64126.1 Ų126.166%0.6675%0.752SS**  trans16378177.100000118.6P158P158-G160 PolarHBondContact O-N 2.76Å
161S35.9Very low35.7Very low107 Ų107129.5 Ų129.575%0.74875%0.753SS**  trans76.8142.9136.281.70000121.7
162I38.9Very low35.7Very low141 Ų141127.4 Ų127.472%0.72374%0.743SS**  trans77.492.2145.9-62.2156.4000118.8
163N34.4Very low36.1Very low134 Ų134128.6 Ų128.672%0.71774%0.736SS**  78.1126.8122.6-65.36.2000124.5
164H35.8Very low36.3Very low156 Ų156130.1 Ų130.172%0.72274%0.736SS**  trans87.6139.6132.4-91.3-92.2000124.1
165D35Very low36.6Very low117 Ų117125.4 Ų125.463%0.62673%0.727SS**  trans72.381.7147-58-20.2000123.9
166I38Very low37Very low146 Ų146125.4 Ų125.475%0.74972%0.723SS**  43114.3104.5-54.2164.4000118.6
167S34.3Very low37.4Very low104 Ų104124.6 Ų124.673%0.72772%0.718SS**  trans-177.5108.6132.3-92.60000112
168C32.9Very low37.6Very low86 Ų86125.2 Ų125.258%0.58172%0.716SS**  73.6115.38587.90000114.1
169K37.6Very low37.3Very low194 Ų194124 Ų12484%0.84371%0.711SS**  171.6162.188.8-91.8145.5-177.7157.70107.4
170S36.8Very low37.5Very low94 Ų94121.3 Ų121.366%0.65771%0.705SS**  cis-161.6149.8-4.4177.90000105.5
171L36.9Very low37.3Very low139 Ų139124.2 Ų124.273%0.72871%0.71SS**  -172.1146.678.5-107.890.3000110
172N37.3Very low37.5Very low120 Ų120125.5 Ų125.564%0.64271%0.714SS**  trans51.2140.5140-59.512.4000121.1
173H37.1Very low37.3Very low154 Ų154127 Ų12771%0.71372%0.717SS**  cis-158.9134.72.9-119.7-54.7000112.5
174T38.6Very low37Very low124 Ų124125.9 Ų125.976%0.76172%0.719SS**  trans59.5119.9145.3-31.70000123.4
175G39.1Very low37Very low62 Ų62126.8 Ų126.864%0.63972%0.724SS**  trans92.6138.7144.300000118.1
176D43.2Very low36.8Very low137 Ų137126.7 Ų126.773%0.73373%0.727SS**  cis-161.3147.5-12.3-102.9-43.9000110.4
177N43Very low36.8Very low125 Ų125128 Ų12867%0.66873%0.73SS**  trans31.4148.9143.5-48.9-47.7000121.6
178N40.5Very low36.7Very low141 Ų141129.9 Ų129.975%0.75473%0.731SS**  cis179170-9.2-98.6-24.4000106.8
179S35.8Very low36.8Very low94 Ų94135.8 Ų135.866%0.65774%0.743SS**  cis-173.9169.5-15.1520000109.4
180S40.7Very low36.5Very low109 Ų109133.7 Ų133.776%0.76274%0.741SS**  trans71.1137.7175.776.20000116.8
181T31.7Very low36.7Very low124 Ų124137.3 Ų137.376%0.76175%0.748SS**  cis92.287.1-0.5-36.60000119.2
182T40.1Very low36.7Very low135 Ų135138.9 Ų138.983%0.82875%0.749SS**  trans-155.7112146.845.60000105.9
183Q34.1Very low36.5Very low171 Ų171139.5 Ų139.580%0.79975%0.751SS**  66.8131.456.2-77.5-160.7-12.200116.4
184C28.8Very low36.7Very low111 Ų111137.9 Ų137.975%0.7575%0.748SS**  trans68.8151.5169-600000117
185E35.3Very low36.5Very low176 Ų176140.6 Ų140.682%0.82275%0.752SS**  cis-146.6175.42.5-140.3167134.100113.7
186T30.3Very low36.5Very low114 Ų114145 Ų14570%0.69976%0.761SS**  trans-95.8134.6-173-53.30000113.3
187Q37.8Very low36.5Very low173 Ų173144.2 Ų144.281%0.80876%0.761SS**  trans-169.5118.2144.5-100.9143.2104.200108.3
188L32.7Very low36Very low144 Ų144148.4 Ų148.475%0.75477%0.769SS**  61.8100.578.7-90.6171.2000114.7
189Y35.6Very low36Very low210 Ų210146.5 Ų146.582%0.82476%0.758SS**  trans-158.6151.7135-125-90.8000109.9
190N31Very low36.3Very low150 Ų150145.9 Ų145.980%0.80275%0.752SS**  trans-134.6100.6-177.7-97.1-52.3000110.9
191E40.5Very low36.4Very low170 Ų170147.9 Ų147.979%0.79475%0.749SS**  trans-144.8150.5160.9-69.9-171.899.600108.3
192K37Very low36.9Very low172 Ų172148.1 Ų148.175%0.74875%0.746SS**  cis145.3123.6-21.5169.2-178.8174.5-166.90106.5
193L33.3Very low36.9Very low134 Ų134148.9 Ų148.970%0.70274%0.744SS**  trans63.8151.1-170.6-82.272.7000112.3
194D41Very low37.1Very low119 Ų119145.1 Ų145.164%0.63674%0.736SS**  cis-131.9140.1-7.8-92.6-41.8000108
195Q34.6Very low37.7Very low182 Ų182143.4 Ų143.485%0.8573%0.73SS**  54.482.385.5-168.7169.810.200114.2
196D38.8Very low38Very low154 Ų154143.9 Ų143.982%0.82473%0.73SS**  trans-143.9143.8171.2-124.8-23.4000115.9
197V43.9Very low38.4Very low120 Ų120146.6 Ų146.673%0.72773%0.734SS**  trans27108.6169.8-168.50000120.9
198Y33.3Very low38.5Very low214 Ų214147.3 Ų147.384%0.83974%0.735SS**  trans-66.3132.3156.6-151.2-103.5000110.9P200Y198-P200 HydrophobicContact CD1-CB 4.41Å; Y198-P200 HydrophobicContact CD1-CG 4.39Å; Y198-P200 HydrophobicContact CE1-CB 4.25Å
199N38.6Very low38.5Very low100 Ų100145.7 Ų145.754%0.53573%0.733SS.*  trans-131.6105.4164.7-171.4-20.1000110.9E201N199-E201 PolarHBondContact OD1-N 3.44Å
200P42.3Very low38.5Very low82 Ų82141.2 Ų141.253%0.53273%0.731SS.*  trans-86.6-8.5-176.735-34000114.2Y198 L202Y198-P200 HydrophobicContact CD1-CB 4.41Å; Y198-P200 HydrophobicContact CD1-CG 4.39Å; Y198-P200 HydrophobicContact CE1-CB 4.25Å; P200-L202 PolarHBondContact O-N 2.83Å
201E43.1Very low38.7Very low150 Ų150142.1 Ų142.170%0.70173%0.73SS**THydrogen-bonded Turntrans-83.4-12.9-165.3-60.1-165.314000114.7N199 S204N199-E201 PolarHBondContact OD1-N 3.44Å; E201-S204 PolarHBondContact O-OG 2.7Å; E201-S204 VanDerWaalsContact O-OG 3.04Å
202L42.4Very low38.7Very low130 Ų130143.2 Ų143.268%0.68173%0.733SS**THydrogen-bonded Turntrans-92-6.2-178.4-63.4-177.8000114.7P200P200-L202 PolarHBondContact O-N 2.83Å
203L41.1Very low38.7Very low150 Ų150140.4 Ų140.479%0.78573%0.73SS**SBendtrans-90.1-20.9175-72172.9000113.4A205L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 2.71Å
204S38.3Very low38.8Very low93 Ų93139.9 Ų139.965%0.6573%0.728SS**THydrogen-bonded Turntrans-75.1-14.2178.456.70000113.9E201E201-S204 PolarHBondContact O-OG 2.7Å; E201-S204 VanDerWaalsContact O-OG 3.04Å
205A40.4Very low38.6Very low75 Ų75139.1 Ų139.162%0.6273%0.732SS**THydrogen-bonded Turntrans-83.6-11.1-171.600000115.4L203L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 2.71Å
206F40.9Very low38.8Very low185 Ų185135 Ų13581%0.81172%0.723SS**SBendtrans-117.6-12.1-172.1-75.5-74.4000115.9K208F206-K208 PolarHBondContact O-N 2.81Å; F206-K208 VanDerWaalsContact O-N 3.09Å
207E38.8Very low38.6Very low171 Ų171133.2 Ų133.280%0.79972%0.718SS**  trans-80.288169.8-70.5-159.9125.300110.8P209E207-P209 WeakPolarHBondContact O-CD 3.43Å
208K40.6Very low38.2Very low188 Ų188130.6 Ų130.682%0.81771%0.705SS**  trans-55.1125.6166.1-78.7-176.3175.6178.30109.3F206 C210F206-K208 PolarHBondContact O-N 2.81Å; F206-K208 VanDerWaalsContact O-N 3.09Å; K208-C210 PolarHBondContact O-N 2.95Å
209P32.9Very low38.9Very low111 Ų111122.7 Ų122.772%0.72168%0.679SS**  trans-64.794.4176.7-23.935.4000111.5E207 H211E207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-H211 VanDerWaalsContact C-N 3.33Å; P209-H211 PolarHBondContact O-CD2 2.99Å; P209-H211 PolarHBondContact O-N 3.29Å
210C35.8Very low39.5Very low115 Ų115121.8 Ų121.878%0.77768%0.677SS**  trans-6795.2166.2-68.50000108K208 F212K208-C210 PolarHBondContact O-N 2.95Å; C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.87Å
211H34.7Very low39.5Very low170 Ų170122.2 Ų122.279%0.78768%0.675SS**  trans-56.893.4174.3-80.1-98.3000109.9P209 V213P209-H211 VanDerWaalsContact C-N 3.33Å; P209-H211 PolarHBondContact O-CD2 2.99Å; P209-H211 PolarHBondContact O-N 3.29Å; H211-V213 PolarHBondContact O-N 3.37Å
212F40.7Very low39.5Very low192 Ų192118.8 Ų118.884%0.84267%0.667SS**  trans-78.679.2179.3-148.3-79.6000107.9C210 D214C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.87Å; F212-D214 PolarHBondContact O-N 3.34Å
213V36.3Very low39.7Very low114 Ų114115 Ų11569%0.69166%0.655SS**  trans-58111.1-179179.80000108.3H211 S215H211-V213 PolarHBondContact O-N 3.37Å; V213-S215 PolarHBondContact O-N 3.43Å; V213-S215 PolarHBondContact O-OG 3.17Å
214D35.4Very low40.1Very low122 Ų122112.9 Ų112.965%0.65265%0.648SS**  trans-67.986.6-178.6-121.2-20.6000108.8F212 S216F212-D214 PolarHBondContact O-N 3.34Å; D214-S216 PolarHBondContact O-N 3.35Å; D214-S216 PolarHBondContact O-OG 2.75Å
215S37.2Very low40.7Very low103 Ų103115.5 Ų115.572%0.7265%0.654SS**  trans-69.261.2171.5-640000109.8V213 T217V213-S215 PolarHBondContact O-N 3.43Å; V213-S215 PolarHBondContact O-OG 3.17Å; S215-T217 PolarHBondContact O-N 3.42Å
216S38.8Very low41.1Very low97 Ų97114.8 Ų114.868%0.67864%0.642SS**  trans-74.878.317750.70000108.4D214 S218D214-S216 PolarHBondContact O-N 3.35Å; D214-S216 PolarHBondContact O-OG 2.75Å; S216-S218 PolarHBondContact O-N 3.14Å
217T35.6Very low41.8Very low115 Ų115112.5 Ų112.571%0.70663%0.634SS**  trans-57.9101.9175.1-42.30000108.9S215 T219S215-T217 PolarHBondContact O-N 3.42Å; T217-T219 PolarHBondContact O-N 3.43Å
218S36Very low42.7Very low66 Ų66106 Ų10646%0.46261%0.607SS.*  trans-67.396.7179.8-176.10000109.3S216 V220S216-S218 PolarHBondContact O-N 3.14Å; S218-V220 PolarHBondContact O-N 3.34Å; S218-V220 VanDerWaalsContact O-N 3.11Å; S218-V220 WeakPolarHBondContact OG-CB 3.45Å; S218-V220 WeakPolarHBondContact OG-CG2 3.29Å
219T47.5Very low43.7Very low47 Ų47102.9 Ų102.929%0.28860%0.599SS.*Hα-helixtrans-74.110.1171.863.30000112.6T217 V241T217-T219 PolarHBondContact O-N 3.43Å; T219-V241 PolarHBondContact OG1-N 2.83Å
220V50.7Low44.8Very low81 Ų81104.1 Ų104.149%0.49160%0.599SS.*Hα-helixtrans-70.6-37.4-178.5-174.80000110.8S218 T224S218-V220 PolarHBondContact O-N 3.34Å; S218-V220 VanDerWaalsContact O-N 3.11Å; S218-V220 WeakPolarHBondContact OG-CB 3.45Å; S218-V220 WeakPolarHBondContact OG-CG2 3.29Å; V220-T224 WeakPolarHBondContact O-CG2 3.43Å
221D41.7Very low46.2Very low91 Ų91102.1 Ų102.149%0.48758%0.58SS.*Hα-helixtrans-103.7-30.5-172.8-60.5-64.6000114.6A223 T224 L225D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.16Å; D221-T224 WeakPolarHBondContact CA-OG1 3.28Å; D221-T224 PolarHBondContact O-N 3.22Å; D221-T224 VanDerWaalsContact O-N 3.08Å; D221-T224 PolarHBondContact O-OG1 3.19Å; D221-L225 PolarHBondContact O-N 3.33Å
222S43.3Very low48.1Very low78 Ų7896.2 Ų96.255%0.54557%0.565SS.*Hα-helixtrans-62.8-26.2178.4-47.70000113.2T226S222-T226 PolarHBondContact O-OG1 2.62Å
223A47.5Very low49.9Very low52 Ų5292.1 Ų92.143%0.4356%0.558SS.*THydrogen-bonded Turntrans-93.8-0.9178.200000114.2D221D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.16Å
224T49.6Very low51.8Low104 Ų10488.9 Ų88.964%0.63854%0.54SS*.THydrogen-bonded Turntrans-110.7-25.3174.658.20000112.2V220 D221V220-T224 WeakPolarHBondContact O-CG2 3.43Å; D221-T224 WeakPolarHBondContact CA-OG1 3.28Å; D221-T224 PolarHBondContact O-N 3.22Å; D221-T224 VanDerWaalsContact O-N 3.08Å; D221-T224 PolarHBondContact O-OG1 3.19Å
225L50.1Low53.9Low148 Ų14889.5 Ų89.578%0.77554%0.539SS*.SBendtrans-81.7-13.8173.5-89.9163000114.9D221D221-L225 PolarHBondContact O-N 3.33Å
226T48.6Very low56Low61 Ų6189.3 Ų89.337%0.37454%0.535SS..SBendtrans-128143.6176.358.30000111.2S222S222-T226 PolarHBondContact O-OG1 2.62Å
227E55.1Low57.9Low136 Ų13687.2 Ų87.264%0.63653%0.529SS*.  trans-52.5125.4171.9-82.6-85.3148.800109.2D229 L230E227-D229 PolarHBondContact O-N 2.87Å; E227-L230 HydrophobicContact CB-CD1 3.83Å; E227-L230 HydrophobicContact CB-CG 3.84Å; E227-L230 WeakPolarHBondContact O-CB 3.33Å; E227-L230 PolarHBondContact O-N 3.22Å
228P57.8Low59.9Low36 Ų3685.3 Ų85.323%0.23452%0.517CS..THydrogen-bonded Turntrans-65-18.3-166.523.6-34.1000114.2R261P228-R261 HydrophobicContact CB-CB 3.82Å; P228-R261 HydrophobicContact CB-CG 3.73Å; P228-R261 WeakPolarHBondContact O-CD 3.34Å; P228-R261 PolarHBondContact O-NE 3.14Å
229D62.5Low61.8Low121 Ų12188.2 Ų88.265%0.64752%0.522SS*.THydrogen-bonded Turntrans-84.6-16.3176-68.3-32.5000113.3E227E227-D229 PolarHBondContact O-N 2.87Å
230L56.6Low63.3Low138 Ų13889.3 Ų89.372%0.72353%0.528SS*.THydrogen-bonded Turntrans-74.6-33.5172.1-63.3178.2000111.7E227 G232E227-L230 HydrophobicContact CB-CD1 3.83Å; E227-L230 HydrophobicContact CB-CG 3.84Å; E227-L230 WeakPolarHBondContact O-CB 3.33Å; E227-L230 PolarHBondContact O-N 3.22Å; L230-G232 PolarHBondContact O-N 3.32Å
231L64.3Low64.9Low72 Ų7289.5 Ų89.538%0.37753%0.529SS..SBendtrans-71.399.7167.9-63.3177.2000107.8R261L231-R261 VanDerWaalsContact CB-NH2 3.32Å; L231-R261 PolarHBondContact O-NH2 3.33Å
232G74.9Confident67Low46 Ų4687.3 Ų87.347%0.47452%0.519SS..PPolyproline II helixtrans-54.4170.2-18000000114.6L230 C234 R261L230-G232 PolarHBondContact O-N 3.32Å; G232-C234 PolarHBondContact O-N 2.77Å; G232-R261 PolarHBondContact O-NH2 3.1Å
233P78.1Confident68.9Low106 Ų10691.1 Ų91.169%0.68853%0.528SS*.PPolyproline II helixtrans-59.1116.1-175.125.7-34.8000110.6
234C75.7Confident70.9Confident46 Ų4690.7 Ų90.731%0.31153%0.528SS..PPolyproline II helixtrans-55.3143.8-177.9-58.20000111.7G232 T238 R261G232-C234 PolarHBondContact O-N 2.77Å; C234-T238 HydrophobicContact CB-CG2 4.25Å; C234-R261 PolarHBondContact SG-NH1 3.2Å
235E79.8Confident72.8Confident135 Ų13589.8 Ų89.863%0.63152%0.523SS*.PPolyproline II helixtrans-66.8145-179-75.9-56.2146.600111.8G237 T238E235-G237 PolarHBondContact O-N 3.03Å; E235-T238 PolarHBondContact N-OG1 3.42Å; E235-T238 WeakPolarHBondContact O-CB 3.23Å; E235-T238 PolarHBondContact O-N 2.91Å; E235-T238 PolarHBondContact O-OG1 3.5Å; E235-T238 VanDerWaalsContact O-OG1 3.11Å
236P81Confident74.8Confident99 Ų9985.4 Ų85.464%0.64350%0.502SS*.THydrogen-bonded Turntrans-59.8104.2178.7-24.135.6000111.9
237G79.4Confident76.9Confident53 Ų5390.7 Ų90.755%0.54652%0.515SS..THydrogen-bonded Turntrans121-11.3-176.200000114.5E235 K239E235-G237 PolarHBondContact O-N 3.03Å; G237-K239 PolarHBondContact O-N 3.48Å
238T76.7Confident78.5Confident76 Ų7688.6 Ų88.647%0.46651%0.508SS..  trans-54.3125.9168.1-600000110C234 E235C234-T238 HydrophobicContact CB-CG2 4.25Å; E235-T238 PolarHBondContact N-OG1 3.42Å; E235-T238 WeakPolarHBondContact O-CB 3.23Å; E235-T238 PolarHBondContact O-N 2.91Å; E235-T238 PolarHBondContact O-OG1 3.5Å; E235-T238 VanDerWaalsContact O-OG1 3.11Å
239K76.9Confident80.2Confident127 Ų12794 Ų9455%0.55253%0.53SS*.  trans-74.3131.5170.2-63.5176.7-176.6172.60108.6G237G237-K239 PolarHBondContact O-N 3.48Å
240V79.6Confident81.3Confident69 Ų6990.1 Ų90.142%0.41852%0.515SS..  trans-124129.6170.9-82.60000108.7V242 W260V240-V242 HydrophobicContact CB-CG2 4.06Å; V240-V242 HydrophobicContact CG2-CG2 4.04Å; V240-W260 HydrophobicContact CG1-CZ2 4.29Å
241V82.9Confident82.8Confident86 Ų8690.5 Ų90.552%0.52152%0.523SS..  trans-84.1127.5166-172.80000106.7T219T219-V241 PolarHBondContact OG1-N 2.83Å
242V85.8Confident83.8Confident45 Ų4587.7 Ų87.727%0.27351%0.511SS..  trans-135.7127.6-175-175.20000108.2V240 L258 H259 W260V240-V242 HydrophobicContact CB-CG2 4.06Å; V240-V242 HydrophobicContact CG2-CG2 4.04Å; V242-L258 HydrophobicContact CG1-CB 3.95Å; V242-H259 WeakPolarHBondContact CG1-O 3.32Å; V242-W260 HydrophobicContact CG1-CB 3.92Å; V242-W260 HydrophobicContact CG1-CG 4.47Å; V242-W260 HydrophobicContact CG2-CG 4.24Å
243E84.5Confident84.4Confident158 Ų15888 Ų8874%0.73850%0.501SS*.EExtended strand (participates in β ladder)trans-83149.8175.6-61-166.5151.900111.1H259E243-H259 PolarHBondContact O-N 3.08Å
244G88.2Confident85.1Confident42 Ų4285.4 Ų85.443%0.43348%0.481SS..EExtended strand (participates in β ladder)trans-173.9167.3-17900000113.4S257G244-S257 CarbonylContact C-O 3.45Å; G244-S257 WeakPolarHBondContact CA-O 3.18Å
245V90.8Very high85.8Confident86 Ų8683.7 Ų83.752%0.52147%0.469SS..EExtended strand (participates in β ladder)trans-106.7135.6-176.7-179.50000109.3W247 L256 S257V245-W247 PolarHBondContact O-N 3.29Å; V245-L256 WeakPolarHBondContact O-CA 3.28Å; V245-S257 PolarHBondContact N-O 3.44Å; V245-S257 PolarHBondContact O-N 3.32Å
246V92.4Very high86.5Confident56 Ų5678.1 Ų78.134%0.33944%0.444SS..EExtended strand (participates in β ladder)trans-77117.7166.1-173.80000107.8E249 L254 L256V246-E249 HydrophobicContact CG1-CB 4.36Å; V246-L254 HydrophobicContact CG1-CD2 4.28Å; V246-L256 HydrophobicContact CB-CD2 4.35Å; V246-L256 HydrophobicContact CG2-CD2 3.78Å
247W91.7Very high87Confident172 Ų17274.5 Ų74.565%0.65242%0.421SS*.EExtended strand (participates in β ladder)trans-92.2-29.3179.7-85.463.4000113V245 V255 S257 M266V245-W247 PolarHBondContact O-N 3.29Å; W247-V255 HydrophobicContact CB-CG1 4.28Å; W247-V255 PolarHBondContact N-O 2.95Å; W247-S257 VanDerWaalsContact CD1-CB 3.45Å; W247-M266 HydrophobicContact CD2-SD 4.42Å
248L89.3Confident87.6Confident92 Ų9275 Ų7548%0.48241%0.41SS..EExtended strand (participates in β ladder)trans-152.3126.1174.9178.664.8000108.9V255L248-V255 HydrophobicContact CB-CB 4.03Å; L248-V255 HydrophobicContact CB-CG2 3.98Å; L248-V255 HydrophobicContact CD2-CG2 4.38Å; L248-V255 PolarHBondContact O-N 3.18Å
249E92.7Very high88.1Confident148 Ų14876.3 Ų76.369%0.69241%0.411SS*.EExtended strand (participates in β ladder)trans-104131.6164.3177.3162.3-167.700108.9V246 L254V246-E249 HydrophobicContact CG1-CB 4.36Å; E249-L254 HydrophobicContact CB-CD2 3.86Å; E249-L254 HydrophobicContact CG-CD2 3.67Å
250A86.4Confident88.5Confident41 Ų4174.5 Ų74.534%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-141.2164.9176.700000109.4G252 M253A250-G252 PolarHBondContact O-N 3.39Å; A250-M253 HydrophobicContact CB-CB 4.39Å; A250-M253 HydrophobicContact CB-CE 4.19Å; A250-M253 PolarHBondContact N-O 2.95Å; A250-M253 PolarHBondContact O-N 3.01Å; A250-M253 VanDerWaalsContact O-O 3.05Å
251T87.1Confident88.6Confident146 Ų14674 Ų7490%0.89639%0.391SS*.THydrogen-bonded Turntrans-62.391-174.537.40000112.6
252G85.3Confident88.6Confident12 Ų1272.8 Ų72.812%0.12440%0.397CS..THydrogen-bonded Turntrans88.619.9-17600000115.1A250 D271 Q275A250-G252 PolarHBondContact O-N 3.39Å; G252-D271 VanDerWaalsContact CA-CB 3.46Å; G252-D271 WeakPolarHBondContact O-CB 3.23Å; G252-D271 PolarHBondContact O-N 3.44Å; G252-Q275 PolarHBondContact O-NE2 3.02Å
253M88.8Confident88.5Confident54 Ų5476.8 Ų76.827%0.26641%0.407SS..EExtended strand (participates in β ladder)trans-148.6132.7177.4178.7172.867.700111.8A250 T268 L269 L270A250-M253 HydrophobicContact CB-CB 4.39Å; A250-M253 HydrophobicContact CB-CE 4.19Å; A250-M253 PolarHBondContact N-O 2.95Å; A250-M253 PolarHBondContact O-N 3.01Å; A250-M253 VanDerWaalsContact O-O 3.05Å; M253-T268 HydrophobicContact CG-CG2 3.42Å; M253-T268 VanDerWaalsContact CG-CG2 3.42Å; M253-T268 HydrophobicContact SD-CG2 3.74Å; M253-L269 WeakPolarHBondContact CA-O 3.49Å; M253-L270 HydrophobicContact CB-CD2 4.43Å; M253-L270 HydrophobicContact CG-CD2 3.97Å; M253-L270 HydrophobicContact SD-CD2 4.18Å
254L91.6Very high88.7Confident51 Ų5174.6 Ų74.627%0.26740%0.401SS..EExtended strand (participates in β ladder)trans-122123.7173.4-63.1172.6000109.9V246 E249 L256 T268 L269V246-L254 HydrophobicContact CG1-CD2 4.28Å; E249-L254 HydrophobicContact CB-CD2 3.86Å; E249-L254 HydrophobicContact CG-CD2 3.67Å; L254-L256 HydrophobicContact CB-CD2 4.38Å; L254-T268 CarbonylContact O-C 3.48Å; L254-T268 VanDerWaalsContact O-CA 3.3Å; L254-T268 WeakPolarHBondContact O-CA 3.22Å; L254-L269 HydrophobicContact CB-CB 4.36Å; L254-L269 PolarHBondContact N-O 3.25Å; L254-L269 PolarHBondContact O-N 3.04Å
255V91.9Very high88.8Confident10 Ų1077.3 Ų77.36%0.06140%0.398CS..EExtended strand (participates in β ladder)trans-92.9121.2168.5-1750000108.6W247 L248 M266 G267 T268W247-V255 HydrophobicContact CB-CG1 4.28Å; W247-V255 PolarHBondContact N-O 2.95Å; L248-V255 HydrophobicContact CB-CB 4.03Å; L248-V255 HydrophobicContact CB-CG2 3.98Å; L248-V255 HydrophobicContact CD2-CG2 4.38Å; L248-V255 PolarHBondContact O-N 3.18Å; V255-M266 HydrophobicContact CG1-CG 4.25Å; V255-G267 WeakPolarHBondContact CA-O 3.14Å; V255-T268 HydrophobicContact CG2-CG2 4.42Å
256L93.3Very high88.8Confident18 Ų1876.2 Ų76.29%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-115.7141.5-176.1-58.1-178.5000110.6V245 V246 L254 L258 M266 G267 L269V245-L256 WeakPolarHBondContact O-CA 3.28Å; V246-L256 HydrophobicContact CB-CD2 4.35Å; V246-L256 HydrophobicContact CG2-CD2 3.78Å; L254-L256 HydrophobicContact CB-CD2 4.38Å; L256-L258 HydrophobicContact CB-CD2 4.17Å; L256-L258 HydrophobicContact CB-CG 4.31Å; L256-L258 HydrophobicContact CD1-CD2 4.26Å; L256-M266 CarbonylContact O-C 3.53Å; L256-M266 VanDerWaalsContact O-CA 3.24Å; L256-M266 WeakPolarHBondContact O-CA 3.38Å; L256-M266 VanDerWaalsContact O-CG 3.29Å; L256-M266 WeakPolarHBondContact O-CG 3.35Å; L256-G267 PolarHBondContact N-O 3.14Å; L256-G267 PolarHBondContact O-N 2.99Å; L256-L269 HydrophobicContact CD1-CD1 3.66Å; L256-L269 HydrophobicContact CD1-CG 3.8Å
257S92.7Very high88.8Confident23 Ų2375.3 Ų75.316%0.16139%0.39CS..EExtended strand (participates in β ladder)trans-112.3104.4162.2176.70000109.1G244 V245 W247G244-S257 CarbonylContact C-O 3.45Å; G244-S257 WeakPolarHBondContact CA-O 3.18Å; V245-S257 PolarHBondContact N-O 3.44Å; V245-S257 PolarHBondContact O-N 3.32Å; W247-S257 VanDerWaalsContact CD1-CB 3.45Å
258L90.7Very high88.8Confident62 Ų6270.1 Ų70.133%0.32538%0.378SS..EExtended strand (participates in β ladder)trans-95.2141.1-178.5-55.3177.9000110.7V242 L256 N264 Y265V242-L258 HydrophobicContact CG1-CB 3.95Å; L256-L258 HydrophobicContact CB-CD2 4.17Å; L256-L258 HydrophobicContact CB-CG 4.31Å; L256-L258 HydrophobicContact CD1-CD2 4.26Å; L258-N264 WeakPolarHBondContact O-CA 3.44Å; L258-Y265 PolarHBondContact N-O 3.1Å; L258-Y265 PolarHBondContact O-N 3.31Å
259H87Confident88.8Confident105 Ų10569.6 Ų69.649%0.48638%0.375SS..EExtended strand (participates in β ladder)trans-111.9115.9174.2-176.4-123.6000111V242 E243 G262 R263 N264V242-H259 WeakPolarHBondContact CG1-O 3.32Å; E243-H259 PolarHBondContact O-N 3.08Å; H259-G262 WeakPolarHBondContact NE2-CA 3.4Å; H259-R263 PolarHBondContact CD2-O 2.95Å; H259-N264 PolarHBondContact CD2-OD1 2.92Å; H259-N264 VanDerWaalsContact CD2-OD1 3.26Å
260W86.1Confident88.7Confident88 Ų8866.3 Ų66.333%0.33336%0.362SS..EExtended strand (participates in β ladder)trans-143.2131.4-174.1-174.358.9000111V240 V242 G262 R263 Y265V240-W260 HydrophobicContact CG1-CZ2 4.29Å; V242-W260 HydrophobicContact CG1-CB 3.92Å; V242-W260 HydrophobicContact CG1-CG 4.47Å; V242-W260 HydrophobicContact CG2-CG 4.24Å; W260-G262 VanDerWaalsContact C-N 3.27Å; W260-G262 PolarHBondContact O-N 3.23Å; W260-R263 PolarHBondContact N-O 3.07Å; W260-R263 PolarHBondContact O-N 3Å; W260-R263 VanDerWaalsContact O-O 3.12Å; W260-Y265 HydrophobicContact CB-CD2 4.21Å; W260-Y265 HydrophobicContact CB-CE2 3.98Å; W260-Y265 AromaticContact CE3-CE2 3.92Å; W260-Y265 HydrophobicContact CE3-CE2 3.92Å
261R82.2Confident88.6Confident58 Ų5866.6 Ų66.622%0.21936%0.358CS..THydrogen-bonded Turntrans46.246.7-177.9-73.2-170.8160.292.8-15.4113.6P228 L231 G232 C234 R263P228-R261 HydrophobicContact CB-CB 3.82Å; P228-R261 HydrophobicContact CB-CG 3.73Å; P228-R261 WeakPolarHBondContact O-CD 3.34Å; P228-R261 PolarHBondContact O-NE 3.14Å; L231-R261 VanDerWaalsContact CB-NH2 3.32Å; L231-R261 PolarHBondContact O-NH2 3.33Å; G232-R261 PolarHBondContact O-NH2 3.1Å; C234-R261 PolarHBondContact SG-NH1 3.2Å; R261-R263 PolarHBondContact O-N 2.91Å
262G82.7Confident88.3Confident62 Ų6264.4 Ų64.464%0.63935%0.348SS*.THydrogen-bonded Turntrans68.59.7179.800000115.4H259 W260H259-G262 WeakPolarHBondContact NE2-CA 3.4Å; W260-G262 VanDerWaalsContact C-N 3.27Å; W260-G262 PolarHBondContact O-N 3.23Å
263R83.7Confident88Confident128 Ų12868.5 Ų68.548%0.48338%0.375SS..EExtended strand (participates in β ladder)trans-118.7139.9179-61-177.5-169.2-164.85.5110.4H259 W260 R261 Y265H259-R263 PolarHBondContact CD2-O 2.95Å; W260-R263 PolarHBondContact N-O 3.07Å; W260-R263 PolarHBondContact O-N 3Å; W260-R263 VanDerWaalsContact O-O 3.12Å; R261-R263 PolarHBondContact O-N 2.91Å; R263-Y265 HydrophobicContact CB-CD2 4.36Å; R263-Y265 HydrophobicContact CB-CE2 3.59Å; R263-Y265 WeakPolarHBondContact O-CD2 3.33Å
264N88Confident87.3Confident113 Ų11372.5 Ų72.560%0.60439%0.391SS*.EExtended strand (participates in β ladder)trans-93.3130.1174-66.5-59.6000109.7L258 H259L258-N264 WeakPolarHBondContact O-CA 3.44Å; H259-N264 PolarHBondContact CD2-OD1 2.92Å; H259-N264 VanDerWaalsContact CD2-OD1 3.26Å
265Y90.6Very high86Confident98 Ų9872.5 Ų72.538%0.38439%0.39SS..EExtended strand (participates in β ladder)trans-122.1110.2179.7-61.4-93.9000108.7L258 W260 R263L258-Y265 PolarHBondContact N-O 3.1Å; L258-Y265 PolarHBondContact O-N 3.31Å; W260-Y265 HydrophobicContact CB-CD2 4.21Å; W260-Y265 HydrophobicContact CB-CE2 3.98Å; W260-Y265 AromaticContact CE3-CE2 3.92Å; W260-Y265 HydrophobicContact CE3-CE2 3.92Å; R263-Y265 HydrophobicContact CB-CD2 4.36Å; R263-Y265 HydrophobicContact CB-CE2 3.59Å; R263-Y265 WeakPolarHBondContact O-CD2 3.33Å
266M91.4Very high84.3Confident63 Ų6378.1 Ų78.131%0.3142%0.424SS..EExtended strand (participates in β ladder)trans-92134.6169.7-148.9166.873.200109.8W247 V255 L256 N709 L710W247-M266 HydrophobicContact CD2-SD 4.42Å; V255-M266 HydrophobicContact CG1-CG 4.25Å; L256-M266 CarbonylContact O-C 3.53Å; L256-M266 VanDerWaalsContact O-CA 3.24Å; L256-M266 WeakPolarHBondContact O-CA 3.38Å; L256-M266 VanDerWaalsContact O-CG 3.29Å; L256-M266 WeakPolarHBondContact O-CG 3.35Å; M266-N709 WeakPolarHBondContact CE-O 3.39Å; M266-L710 HydrophobicContact CB-CD1 3.64Å; M266-L710 HydrophobicContact CB-CD2 3.99Å; M266-L710 HydrophobicContact CB-CG 3.98Å; M266-L710 HydrophobicContact CE-CD2 3.96Å; M266-L710 HydrophobicContact CE-CG 4.11Å; M266-L710 HydrophobicContact SD-CD2 4.34Å
267G91.6Very high82.7Confident37 Ų3786.3 Ų86.338%0.38146%0.459SS..EExtended strand (participates in β ladder)trans-157.7176.7-176.100000112V255 L256V255-G267 WeakPolarHBondContact CA-O 3.14Å; L256-G267 PolarHBondContact N-O 3.14Å; L256-G267 PolarHBondContact O-N 2.99Å
268T91.3Very high80.6Confident64 Ų6486.3 Ų86.339%0.39346%0.461SS..EExtended strand (participates in β ladder)trans-128.7126.6-175.2-48.80000110.4M253 L254 V255 L270M253-T268 HydrophobicContact CG-CG2 3.42Å; M253-T268 VanDerWaalsContact CG-CG2 3.42Å; M253-T268 HydrophobicContact SD-CG2 3.74Å; L254-T268 CarbonylContact O-C 3.48Å; L254-T268 VanDerWaalsContact O-CA 3.3Å; L254-T268 WeakPolarHBondContact O-CA 3.22Å; V255-T268 HydrophobicContact CG2-CG2 4.42Å; T268-L270 HydrophobicContact CG2-CD2 3.66Å; T268-L270 HydrophobicContact CG2-CG 4.42Å
269L90.8Very high78.4Confident80 Ų8088.3 Ų88.342%0.41948%0.478SS..EExtended strand (participates in β ladder)trans-91139.4163.6-57.1-176000108.9M253 L254 L256M253-L269 WeakPolarHBondContact CA-O 3.49Å; L254-L269 HydrophobicContact CB-CB 4.36Å; L254-L269 PolarHBondContact N-O 3.25Å; L254-L269 PolarHBondContact O-N 3.04Å; L256-L269 HydrophobicContact CD1-CD1 3.66Å; L256-L269 HydrophobicContact CD1-CG 3.8Å
270L89Confident76.8Confident80 Ų8089.3 Ų89.342%0.41949%0.491SS..EExtended strand (participates in β ladder)trans-121.3132.9-177.2-56.8174.3000108.1M253 T268 S272M253-L270 HydrophobicContact CB-CD2 4.43Å; M253-L270 HydrophobicContact CG-CD2 3.97Å; M253-L270 HydrophobicContact SD-CD2 4.18Å; T268-L270 HydrophobicContact CG2-CD2 3.66Å; T268-L270 HydrophobicContact CG2-CG 4.42Å; L270-S272 PolarHBondContact O-N 2.9Å
271D85.6Confident74.9Confident46 Ų4689.2 Ų89.225%0.24650%0.503CS..  trans-73.6106.3178.6-179.5-8.6000110.3G252 S273 K274 Q275G252-D271 VanDerWaalsContact CA-CB 3.46Å; G252-D271 WeakPolarHBondContact O-CB 3.23Å; G252-D271 PolarHBondContact O-N 3.44Å; D271-S273 VanDerWaalsContact CG-OG 3.25Å; D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 VanDerWaalsContact O-N 3.15Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.71Å; D271-S273 PolarHBondContact OD1-OG 2.99Å; D271-S273 PolarHBondContact OD2-OG 2.84Å; D271-K274 HydrophobicContact CB-CB 4.38Å; D271-K274 PolarHBondContact O-N 3.44Å; D271-K274 WeakPolarHBondContact OD2-CD 3.34Å; D271-K274 WeakPolarHBondContact OD2-CG 3.28Å; D271-K274 IonicContact OD2-NZ 2.63Å; D271-K274 PolarHBondContact OD2-NZ 3.32Å; D271-Q275 PolarHBondContact O-N 3.38Å
272S79.5Confident73.1Confident100 Ų10092.3 Ų92.370%0.69952%0.521SS*.THydrogen-bonded Turntrans-67.4-9.5-179.160.60000114.2L270L270-S272 PolarHBondContact O-N 2.9Å
273S79.6Confident71.1Confident99 Ų9994.9 Ų94.969%0.69252%0.52SS*.THydrogen-bonded Turntrans-81.3-22.9169.573.20000112.9D271D271-S273 VanDerWaalsContact CG-OG 3.25Å; D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 VanDerWaalsContact O-N 3.15Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.71Å; D271-S273 PolarHBondContact OD1-OG 2.99Å; D271-S273 PolarHBondContact OD2-OG 2.84Å
274K74.1Confident69.4Low137 Ų13797.2 Ų97.260%0.59653%0.534SS*.THydrogen-bonded Turntrans-108-19.8-178.5-61-173.5-176.886.90113.5D271D271-K274 HydrophobicContact CB-CB 4.38Å; D271-K274 PolarHBondContact O-N 3.44Å; D271-K274 WeakPolarHBondContact OD2-CD 3.34Å; D271-K274 WeakPolarHBondContact OD2-CG 3.28Å; D271-K274 IonicContact OD2-NZ 2.63Å; D271-K274 PolarHBondContact OD2-NZ 3.32Å
275Q63.8Low67.2Low51 Ų5194.2 Ų94.224%0.23853%0.53CS..  trans-116.196-174.9-58.7-163.833.500112.2G252 D271 F277 A278G252-Q275 PolarHBondContact O-NE2 3.02Å; D271-Q275 PolarHBondContact O-N 3.38Å; Q275-F277 PolarHBondContact O-N 3.13Å; Q275-F277 VanDerWaalsContact O-N 3.13Å; Q275-A278 VanDerWaalsContact O-CB 3.31Å; Q275-A278 WeakPolarHBondContact O-CB 3.38Å; Q275-A278 PolarHBondContact O-N 2.91Å
276T57.5Low65.3Low128 Ų12892.3 Ų92.379%0.78553%0.529SS*.THydrogen-bonded Turntrans-61.9-13171.340.60000114.1
277F58Low63Low190 Ų19091.8 Ų91.883%0.83353%0.534SS*.THydrogen-bonded Turntrans-88.5-2.1173-60.2-70.3000114.3Q275Q275-F277 PolarHBondContact O-N 3.13Å; Q275-F277 VanDerWaalsContact O-N 3.13Å
278A49.9Very low60.8Low23 Ų2393 Ų9319%0.1954%0.537CS..SBendtrans-61.3130.4169.100000109.1Q275 T280Q275-A278 VanDerWaalsContact O-CB 3.31Å; Q275-A278 WeakPolarHBondContact O-CB 3.38Å; Q275-A278 PolarHBondContact O-N 2.91Å; A278-T280 PolarHBondContact O-N 2.91Å
279P44.9Very low58.7Low105 Ų10592.2 Ų92.268%0.68254%0.536SS*.  trans-52.7115.3-178.6-29.136000111.6C281P279-C281 PolarHBondContact O-N 2.87Å
280T53Low57Low126 Ų12693.6 Ų93.677%0.77354%0.544SS*.SBendtrans-66.6105.1-169.445.40000110.5A278A278-T280 PolarHBondContact O-N 2.91Å
281C46.5Very low55.1Low85 Ų8594.3 Ų94.357%0.57455%0.548SS*.  trans54.5150.5-170.370.50000116.8P279 D283P279-C281 PolarHBondContact O-N 2.87Å; C281-D283 HydrophobicContact CB-CB 4.49Å; C281-D283 WeakPolarHBondContact CB-OD2 3.3Å; C281-D283 PolarHBondContact O-N 2.89Å; C281-D283 VanDerWaalsContact O-N 3.15Å; C281-D283 PolarHBondContact SG-OD2 2.78Å
282M44.1Very low53.6Low123 Ų12398.8 Ų98.861%0.60657%0.571SS**  trans-80.317.1178.1-64.5-175.773.600112.7R140 K284R140-M282 PolarHBondContact NH2-SD 2.93Å; R140-M282 VanDerWaalsContact NH2-SD 3.45Å; M282-K284 PolarHBondContact O-N 2.85Å
283D40.4Very low52.5Low116 Ų11698.9 Ų98.962%0.6256%0.563SS**SBendtrans-83.1107.4-164.8-62-31.1000110.4C281 G285C281-D283 HydrophobicContact CB-CB 4.49Å; C281-D283 WeakPolarHBondContact CB-OD2 3.3Å; C281-D283 PolarHBondContact O-N 2.89Å; C281-D283 VanDerWaalsContact O-N 3.15Å; C281-D283 PolarHBondContact SG-OD2 2.78Å; D283-G285 PolarHBondContact O-N 2.96Å
284K47.6Very low51.3Low177 Ų177100.7 Ų100.777%0.7756%0.555SS**SBendtrans68.7-43.1176.4-50.8166.5-173.9174.30114.7M282 S288M282-K284 PolarHBondContact O-N 2.85Å; K284-S288 WeakPolarHBondContact O-CB 3.49Å; K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 2.99Å
285G41.3Very low49.7Very low50 Ų5096.8 Ų96.852%0.51555%0.554SS.*Hα-helixtrans-59.7-59.5-172.100000115D283 A287 S288 A289D283-G285 PolarHBondContact O-N 2.96Å; G285-A287 PolarHBondContact O-N 2.82Å; G285-S288 PolarHBondContact O-N 2.84Å; G285-A289 PolarHBondContact O-N 3.49Å
286V50.5Low48.7Very low59 Ų59103.3 Ų103.336%0.35858%0.576SS.*Hα-helixtrans-67.8-36.9-174.6-174.70000112.1A289 L290V286-A289 PolarHBondContact O-N 2.88Å; V286-L290 HydrophobicContact CG1-CD1 4.37Å; V286-L290 WeakPolarHBondContact O-CG 3.44Å; V286-L290 PolarHBondContact O-N 2.87Å
287A43.6Very low48Very low51 Ų51107.1 Ų107.142%0.42158%0.582SS.*Hα-helixtrans-64.4-41.8175.100000111.9G285 L290 N291G285-A287 PolarHBondContact O-N 2.82Å; A287-L290 PolarHBondContact O-N 2.83Å; A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å
288S44.7Very low47.2Very low64 Ų64103 Ų10345%0.44858%0.577SS.*Hα-helixtrans-63.4-41.9173.5-66.70000112.3K284 G285 N291 L292K284-S288 WeakPolarHBondContact O-CB 3.49Å; K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 2.99Å; G285-S288 PolarHBondContact O-N 2.84Å; S288-N291 PolarHBondContact O-N 3.49Å; S288-L292 VanDerWaalsContact O-CG 3.31Å; S288-L292 WeakPolarHBondContact O-CG 3.29Å; S288-L292 PolarHBondContact O-N 3.06Å
289A49Very low46.6Very low46 Ų46111.7 Ų111.738%0.3861%0.605SS.*Hα-helixtrans-60.7-45.1174.500000112G285 V286 N291 L292 L293G285-A289 PolarHBondContact O-N 3.49Å; V286-A289 PolarHBondContact O-N 2.88Å; A289-N291 VanDerWaalsContact C-N 3.35Å; A289-N291 PolarHBondContact O-N 3.37Å; A289-L292 PolarHBondContact O-N 3.25Å; A289-L293 WeakPolarHBondContact O-CD1 3.45Å; A289-L293 PolarHBondContact O-N 2.98Å
290L53.9Low46.4Very low110 Ų110112.5 Ų112.558%0.57661%0.611SS**Hα-helixtrans-64.9-36.3176.1-70.5173.8000112.5V286 A287 L293 R294V286-L290 HydrophobicContact CG1-CD1 4.37Å; V286-L290 WeakPolarHBondContact O-CG 3.44Å; V286-L290 PolarHBondContact O-N 2.87Å; A287-L290 PolarHBondContact O-N 2.83Å; L290-L293 PolarHBondContact O-N 3.15Å; L290-R294 WeakPolarHBondContact O-CB 3.21Å; L290-R294 PolarHBondContact O-N 2.88Å
291N49.7Very low45.9Very low95 Ų95110.4 Ų110.451%0.50860%0.596SS.*Hα-helixtrans-66.6-39.5173.4-76.6-20.8000112.5A287 S288 A289 L293 R294 G295A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å; S288-N291 PolarHBondContact O-N 3.49Å; A289-N291 VanDerWaalsContact C-N 3.35Å; A289-N291 PolarHBondContact O-N 3.37Å; N291-L293 VanDerWaalsContact C-N 3.35Å; N291-R294 WeakPolarHBondContact O-CB 3.29Å; N291-R294 PolarHBondContact O-N 2.85Å; N291-G295 PolarHBondContact O-N 3.11Å
292L54.5Low46Very low140 Ų140111.5 Ų111.573%0.73360%0.602SS**Hα-helixtrans-63.5-38.5173.1-71.3166.8000111.9S288 A289 G295S288-L292 VanDerWaalsContact O-CG 3.31Å; S288-L292 WeakPolarHBondContact O-CG 3.29Å; S288-L292 PolarHBondContact O-N 3.06Å; A289-L292 PolarHBondContact O-N 3.25Å; L292-G295 PolarHBondContact O-N 3.01Å
293L55.9Low46.1Very low102 Ų102114 Ų11453%0.53461%0.611SS.*Hα-helixtrans-69.9-35.6171.7-86.787000112.8A289 L290 N291 G295 R296A289-L293 WeakPolarHBondContact O-CD1 3.45Å; A289-L293 PolarHBondContact O-N 2.98Å; L290-L293 PolarHBondContact O-N 3.15Å; N291-L293 VanDerWaalsContact C-N 3.35Å; L293-G295 PolarHBondContact O-N 2.98Å; L293-G295 VanDerWaalsContact O-N 3.15Å; L293-R296 PolarHBondContact O-N 2.59Å
294R54.4Low46.1Very low136 Ų136118.3 Ų118.351%0.51362%0.619SS.*Hα-helixtrans-58.3-23.7174.3-117.4175.7176-178.3-3.7112.6L290 N291 R296L290-R294 WeakPolarHBondContact O-CB 3.21Å; L290-R294 PolarHBondContact O-N 2.88Å; N291-R294 WeakPolarHBondContact O-CB 3.29Å; N291-R294 PolarHBondContact O-N 2.85Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.36Å
295G40Very low45.4Very low55 Ų55112.5 Ų112.557%0.56761%0.609SS**THydrogen-bonded Turntrans-64.9-23.5171.600000114.9N291 L292 L293 K297N291-G295 PolarHBondContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 3.01Å; L293-G295 PolarHBondContact O-N 2.98Å; L293-G295 VanDerWaalsContact O-N 3.15Å; G295-K297 PolarHBondContact O-N 3.27Å
296R43.9Very low45.2Very low189 Ų189121.5 Ų121.571%0.71363%0.629SS**  trans-84.489.1178-84-179.2154.5165.6-6.1111.6L293 R294 S298L293-R296 PolarHBondContact O-N 2.59Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.36Å; R296-S298 PolarHBondContact O-N 2.97Å
297K42.9Very low44.8Very low207 Ų207126.7 Ų126.790%0.965%0.65SS**THydrogen-bonded Turntrans-6663.5177.5-67.6162.2175.5170.50113.7G295G295-K297 PolarHBondContact O-N 3.27Å
298S40.3Very low44.5Very low104 Ų104128.8 Ų128.873%0.72767%0.667SS**THydrogen-bonded Turntrans-1506.5-176.5-165.10000116.2R296R296-S298 PolarHBondContact O-N 2.97Å
299W38.5Very low44.2Very low205 Ų205137 Ų13778%0.77769%0.689SS**SBendtrans-98.45.3-173.4-74.7101.4000115.4
300C40.4Very low43.4Very low122 Ų122138.4 Ų138.482%0.82471%0.707SS**SBendtrans-12111-170.2-56.60000115.4
301D40.9Very low42.6Very low83 Ų83140.6 Ų140.644%0.44472%0.719SS.*  trans-118.296177.6-176.6-12.5000110.4H303 R304D301-H303 PolarHBondContact O-N 3.43Å; D301-H303 WeakPolarHBondContact OD1-CA 3.31Å; D301-H303 PolarHBondContact OD1-N 2.9Å; D301-R304 PolarHBondContact OD1-N 3.27Å; D301-R304 VanDerWaalsContact OD2-CB 3.29Å; D301-R304 WeakPolarHBondContact OD2-CB 3.46Å; D301-R304 IonicContact OD2-NE 3.49Å; D301-R304 PolarHBondContact OD2-NE 3.37Å
302P50.1Low41.9Very low108 Ų108143.6 Ų143.670%0.70173%0.729SS**SBendtrans-72-8.8175.5-18.833.2000114.7
303H46.4Very low40.9Very low175 Ų175146.4 Ų146.481%0.8174%0.736SS**SBendtrans-102.9-19.9-170.1-76.7-79.8000113.9D301 G305D301-H303 PolarHBondContact O-N 3.43Å; D301-H303 WeakPolarHBondContact OD1-CA 3.31Å; D301-H303 PolarHBondContact OD1-N 2.9Å; H303-G305 PolarHBondContact O-N 2.96Å
304R39.4Very low40.1Very low206 Ų206148.6 Ų148.678%0.77774%0.743SS**SBendtrans-8379.7175.7-166.1167.4-61.7-93.3-2.5112D301D301-R304 PolarHBondContact OD1-N 3.27Å; D301-R304 VanDerWaalsContact OD2-CB 3.29Å; D301-R304 WeakPolarHBondContact OD2-CB 3.46Å; D301-R304 IonicContact OD2-NE 3.49Å; D301-R304 PolarHBondContact OD2-NE 3.37Å
305G33.6Very low39.2Very low55 Ų55150.7 Ų150.757%0.56776%0.759SS**  trans-59.2163.9-172.800000116.8H303 Q307H303-G305 PolarHBondContact O-N 2.96Å; G305-Q307 PolarHBondContact O-N 3.47Å
306Y37.5Very low39.2Very low239 Ų239156.8 Ų156.894%0.93778%0.777SS**  trans-48.7100.5-176.9-67.4-98.8000114.2
307Q42.1Very low38.9Very low168 Ų168157.4 Ų157.479%0.78578%0.78SS**  trans-113.686.2159.6-84.6-68.8-2900108.8G305 R309G305-Q307 PolarHBondContact O-N 3.47Å; Q307-R309 PolarHBondContact O-N 3.35Å
308A36Very low38.6Very low96 Ų96155.4 Ų155.479%0.79377%0.773SS**  trans-64.7122171.400000109.5
309R39.4Very low38.5Very low236 Ų236159.3 Ų159.389%0.89178%0.779SS**  trans-111.4118.6158.6-74.6-169.2171.5-178.6-2.6108.1Q307Q307-R309 PolarHBondContact O-N 3.35Å
310G32.1Very low38.3Very low75 Ų75160.1 Ų160.177%0.77378%0.782SS**  trans-73.2172.3-168.900000114H312G310-H312 PolarHBondContact O-N 3.19Å
311L36.1Very low38.1Very low157 Ų157166.2 Ų166.282%0.82279%0.788SS**  trans-56.4123.6170.2-64.6153.4000111
312H35.8Very low37.7Very low157 Ų157166 Ų16673%0.72781%0.806SS**  trans-152.1101.6141.3-142.452.6000112G310 H314G310-H312 PolarHBondContact O-N 3.19Å; H312-H314 AromaticContact CE1-CD2 3.78Å; H312-H314 AromaticContact NE2-CD2 3.43Å; H312-H314 PolarHBondContact NE2-CD2 3.4Å; H312-H314 AromaticContact NE2-CG 3.82Å; H312-H314 PolarHBondContact O-N 2.63Å
313F33.4Very low36.9Very low199 Ų199165 Ų16587%0.87381%0.814SS**  trans-83.497.8158.4-76.5-81.7000107.7
314H38.3Very low36.2Very low148 Ų148160.3 Ų160.369%0.68581%0.814SS**  trans-137.7132160-110-87.4000109.7H312H312-H314 AromaticContact CE1-CD2 3.78Å; H312-H314 AromaticContact NE2-CD2 3.43Å; H312-H314 PolarHBondContact NE2-CD2 3.4Å; H312-H314 AromaticContact NE2-CG 3.82Å; H312-H314 PolarHBondContact O-N 2.63Å
315H35.8Very low36Very low181 Ų181156.3 Ų156.384%0.83882%0.817SS**  trans-71.9126.9172.1-59.2-99.8000109.2
316L41.4Very low36.4Very low183 Ų183160.4 Ų160.496%0.95883%0.831SS**  trans-150.2165.4142.4-13666.3000111.9
317R36.9Very low36.5Very low202 Ų202156 Ų15676%0.76283%0.83SS**  trans-111.9146.3-154.9-120176.4174.4167.7-2.7111.2
318H35.7Very low36.1Very low165 Ų165151.6 Ų151.676%0.76483%0.829SS**  trans66143.4160.2-51.6-45.4000115
319H38.8Very low36.4Very low185 Ų185153.4 Ų153.486%0.85683%0.83SS**  cis-140.816049.1-97.1-107.4000114.9
320R34.8Very low36.1Very low223 Ų223147.2 Ų147.284%0.84282%0.823SS**  trans-99.7145.2162.4-60.8-176.5-178.2-1524.4109.9
321R36.6Very low36.4Very low250 Ų250152.7 Ų152.794%0.94383%0.831SS**  158.7153.9126.6-88.2167.4-177.1-99.94.5112.2
322G32.6Very low36.5Very low79 Ų79151.4 Ų151.481%0.81483%0.83SS**  trans88.9123.5171.200000114.5
323G31.9Very low36.6Very low85 Ų85151.3 Ų151.388%0.87684%0.84SS**  cis106.8105.1-13.400000115
324G33.2Very low36.7Very low78 Ų78153.3 Ų153.380%0.80484%0.842SS**  trans116115.7-174.300000110.3
325S34.9Very low36.5Very low121 Ų121152.4 Ų152.485%0.84685%0.852SS**  cis95.372.117.4-1630000116.4
326T40.7Very low36.3Very low141 Ų141148.8 Ų148.887%0.86585%0.854SS**  trans-140.5134.3151.947.70000110.9
327T41.1Very low36.2Very low147 Ų147145.9 Ų145.990%0.90285%0.849SS**  trans-44.6144.8178.2470000117.5
328G33.6Very low36.2Very low75 Ų75141.2 Ų141.277%0.77385%0.853SS**  trans-177.166.2173.300000117.2
329V40.9Very low36.3Very low135 Ų135138.5 Ų138.582%0.81886%0.86SS**  trans36.9117.5154.8-172.10000120.7
330S33.3Very low36.3Very low106 Ų106134.6 Ų134.674%0.74186%0.859SS**  trans27134.5141.4-46.60000120.8
331M38.6Very low36.7Very low189 Ų189128.9 Ų128.993%0.93186%0.86SS**  cis-145.7-179.744.2-82-160.6-70.500114.6
332T38Very low36.8Very low131 Ų131122 Ų12280%0.80486%0.857SS**  trans-101.9139.8-161.251.20000115.8
333T39.1Very low37Very low155 Ų155122.8 Ų122.895%0.95186%0.855SS**  trans-148.397.1150.5-27.90000110.4
334R34.5Very low37.5Very low241 Ų241124.2 Ų124.291%0.90985%0.852SS**  trans-138.494.1-177.1-145.9-170.8-172-135.81.9109.1
335S35Very low38.1Very low128 Ų128129.1 Ų129.190%0.89585%0.854SS**  trans-166.484.7169.3-98.40000110.8
336A31.2Very low38.4Very low105 Ų105130.9 Ų130.987%0.86885%0.854SS**  trans-156.629.6177.500000113.5
337S39.5Very low38.2Very low123 Ų123128.8 Ų128.886%0.8684%0.844SS**SBendtrans-160.351-171.966.60000115.9
338A36.4Very low38.1Very low104 Ų104131.9 Ų131.986%0.8684%0.84SS**  trans-162107.1163.600000111.2
339A37.6Very low38.2Very low108 Ų108136 Ų13689%0.89384%0.839SS**SBendtrans-154.525.1174.700000112.7
340A39Very low37.9Very low102 Ų102133 Ų13384%0.84384%0.835SS**SBendtrans-155.133.3-172.200000113.5
341A42Very low38Very low104 Ų104133.2 Ų133.286%0.8684%0.837SS**  trans-16770.1174.200000110.8
342A39.7Very low38.3Very low106 Ų106130.7 Ų130.788%0.87683%0.832SS**  trans-152.459.3179.600000111.7
343A37.5Very low38.2Very low94 Ų94131 Ų13178%0.77783%0.828SS**SBendtrans-138.8137.9167.900000108.4
344S41.8Very low38.4Very low116 Ų116129 Ų12981%0.81182%0.821SS**  trans71.6156.6-166.9-160.10000115.3
345Q46.1Very low38.7Very low181 Ų181125.7 Ų125.785%0.84681%0.813SS**  trans68.383.2-170.8-46.5-140.3-43.300112.1
346D39.9Very low39Very low158 Ų158125.5 Ų125.585%0.84580%0.803SS**  cis76.5160.946.9-153.84.8000113.2
347S38.4Very low39.3Very low96 Ų96128.4 Ų128.467%0.67180%0.798SS**  trans-103.3160.6-136.651.10000115.1
348R38.4Very low39.2Very low212 Ų212127.6 Ų127.680%0.879%0.792SS**  trans144151.9157.3-86.8-176.4150.1144.90.8112.6
349E34.6Very low39.1Very low161 Ų161128.9 Ų128.975%0.75279%0.789SS**  cis-167.4156.8-23.5-122.3167.9-136.300106
350G35.9Very low39.2Very low73 Ų73130.3 Ų130.375%0.75379%0.787SS**  trans127102.7176.800000113.1
351S35.9Very low38.9Very low111 Ų111132.1 Ų132.178%0.77678%0.782SS**  cis90.98732.3-165.10000114.4
352V43.4Very low38.7Very low136 Ų136134.8 Ų134.882%0.82478%0.782SS**  trans-179.2153.2141.8-89.90000106.8
353D36.2Very low38.6Very low136 Ų136135 Ų13573%0.72777%0.774SS**  cis-171.2159.3-39.8-121.5-51.4000106.8
354S43.5Very low38.6Very low115 Ų115140.8 Ų140.880%0.80478%0.778SS**  trans74.6153.4175.5-41.60000118.3
355K40.9Very low38.4Very low170 Ų170139.9 Ų139.974%0.73977%0.771SS**  cis179.9160.1-43.5160.5170.2175.8-179.30109.2
356D41.5Very low38.2Very low125 Ų125134.9 Ų134.967%0.66876%0.761SS**  trans72.8150.9171.4-62.6-27.2000116.9
357Q37.7Very low38.3Very low165 Ų165135.9 Ų135.977%0.77176%0.761SS**  cis-166.4161.9-25-173.1161.317.600110.7
358S36.3Very low38.3Very low106 Ų106136.7 Ų136.774%0.74177%0.765SS**  trans65.8135.317865.50000116.4
359V35.9Very low38.4Very low132 Ų132133.4 Ų133.480%0.876%0.762SS**  cis86.188.523.7-172.20000115.4
360V39.2Very low39.1Very low138 Ų138133.4 Ų133.484%0.83677%0.767SS**  trans-145.3147.1139.1-174.90000107
361N33.1Very low39.2Very low140 Ų140138.3 Ų138.375%0.74977%0.77SS**  trans-110153.8171.9-57.9-63.1000109.8
362D36.9Very low39.5Very low159 Ų159138.3 Ų138.385%0.8577%0.768SS**  trans-166.3121.2144-102.4-27.3000112.8
363P38.6Very low39.1Very low111 Ų111142.1 Ų142.172%0.72177%0.769SS**  trans-129.2130.6165.735.8-21.4000112.9
364Y37.6Very low39.2Very low215 Ų215141.1 Ų141.184%0.84377%0.767SS**  trans-150.1126-178.7-122.4-89.5000116.2
365S36.9Very low38.9Very low97 Ų97140.8 Ų140.868%0.67876%0.763SS**  trans42.9158.4152.7-580000122.8
366A42.2Very low38.4Very low77 Ų77139.8 Ų139.864%0.63676%0.764SS**  cis-139.91467.900000111
367E40.6Very low38.3Very low178 Ų178142.9 Ų142.983%0.83277%0.774SS**  62.3135.799.1-56.6176.617300114.9
368C40.1Very low38Very low114 Ų114140.3 Ų140.377%0.7777%0.77SS**  cis-127.6149.619.545.70000112.3
369I39.8Very low37.7Very low143 Ų143139.2 Ų139.273%0.73376%0.762SS**  61.5111.369.5-56.2172.6000110.8
370D48.2Very low37.4Very low161 Ų161143.1 Ų143.186%0.86176%0.764SS**  -131.6171.771.6-116.5-38.7000118.4
371Q39.5Very low37.1Very low175 Ų175141.6 Ų141.682%0.81876%0.76SS**  trans-121.4-171.7-170.7-94.2-170.912.300112.8
372P40.9Very low37Very low111 Ų111144.8 Ų144.872%0.72177%0.767SS**  cis-118.6-163.1-12.830-7000110.9
373Y35Very low36.9Very low216 Ų216146.9 Ų146.985%0.84777%0.768SS**  cis-153.3165.919-173.9-109.9000111.7
374V39.1Very low36.6Very low115 Ų115147.3 Ų147.370%0.69777%0.774SS**  trans-110.1-175.4-169-1050000111.3
375P36.9Very low36.6Very low108 Ų108140.2 Ų140.270%0.70177%0.766SS**  cis-130.6169.97.940.1-22.5000117.2
376I30.7Very low36.7Very low150 Ų150142.3 Ų142.377%0.76977%0.77SS**  trans-93.1129.6155-67.7170000107.5T378I376-T378 HydrophobicContact CG2-CG2 3.97Å
377E39.5Very low36.6Very low189 Ų189146.1 Ų146.188%0.88378%0.778SS**  trans-96.2144153.7-72.3-152.9152.600110.2
378T30.6Very low36.4Very low111 Ų111141.9 Ų141.968%0.68177%0.773SS**  trans-113.3158.317948.10000111.4I376I376-T378 HydrophobicContact CG2-CG2 3.97Å
379S29.5Very low36.3Very low83 Ų83143.3 Ų143.358%0.5877%0.773SS**  trans82.7176.1153.481.10000119.3
380Y29.8Very low36.2Very low215 Ų215143.8 Ų143.884%0.84377%0.772SS**  trans78.6134.6178.1-35.2-61.9000120.1
381S34.2Very low35.8Very low106 Ų106141.8 Ų141.874%0.74176%0.761SS**  trans80.296.1151.9-149.10000120.5
382K30.2Very low35.9Very low207 Ų207140.7 Ų140.790%0.976%0.759SS**  trans-69.5141.4146.9-65172.8177.8174.30109.2
383K34.4Very low35.8Very low202 Ų202140.8 Ų140.888%0.87876%0.759SS**  trans-149.3159.8155.8-121.2170.1-174.5176.60112.8
384S32.9Very low36.1Very low120 Ų120137.6 Ų137.684%0.83975%0.752SS**  trans-133.1146.1-157.754.50000113.5
385G37.7Very low35.8Very low66 Ų66143.2 Ų143.268%0.6876%0.761SS**  trans-154.3147.9156.900000107.9
386N38.8Very low35.7Very low142 Ų142141.8 Ų141.876%0.75977%0.765SS**  cis-146.5159.96.7-96.2-29.7000111
387I40Very low36Very low156 Ų156139.8 Ų139.880%0.877%0.771SS**  27.9126.3128.7-47.9167000115.2
388A37.1Very low36.2Very low89 Ų89141 Ų14174%0.73677%0.774SS**  cis-174-179.212.400000108.8
389L36.6Very low36.5Very low145 Ų145139 Ų13976%0.75978%0.776SS**  cis-178.2135.6-33178.4140.7000107.5
390H39.2Very low36.9Very low153 Ų153146.6 Ų146.671%0.70879%0.792SS**  trans64.2159.4-179.7-83-124.3000116.1
391D39.3Very low37.2Very low119 Ų119147.6 Ų147.664%0.63679%0.794SS**  cis-150.6163.97.6-135.1-30.1000115.7
392I42Very low37.5Very low152 Ų152152.8 Ų152.878%0.77980%0.797SS**  trans69147.2153.3-76.6156.4000120
393P39.3Very low37.8Very low112 Ų112154.2 Ų154.273%0.72780%0.797SS**  trans-131.3172.9-141.644.2-29.4000119.4
394Q40.5Very low37.8Very low149 Ų149147.9 Ų147.970%0.69679%0.788SS**  trans11.5144148.6-71.6-164.734.900123.5
395R33.8Very low38Very low234 Ų234147.4 Ų147.488%0.88379%0.792SS**  trans68.6126.7148.8-68.8168.4-164.3-122.62.1118.9
396G34.2Very low37.9Very low77 Ų77147.9 Ų147.979%0.79480%0.797SS**  trans175.4108.6161.700000113.7K398G396-K398 PolarHBondContact O-N 2.95Å
397A36.9Very low38.1Very low108 Ų108153.2 Ų153.289%0.89381%0.806SS**  trans-81.2118.6-177.900000112.9
398K42.8Very low37.9Very low215 Ų215156.5 Ų156.594%0.93581%0.809SS**  trans-146154.8163.1-80.5175.9-176.61660108.2G396G396-K398 PolarHBondContact O-N 2.95Å
399G37.1Very low38Very low70 Ų70158.3 Ų158.372%0.72282%0.816SS**  cis165.182.8-0.300000112.8R401G399-R401 PolarHBondContact O-N 3.18Å
400R37.7Very low38.1Very low242 Ų242156.5 Ų156.591%0.91381%0.811SS**  trans-13.2101.7167.7-174.7-164.1-165.1-158.99.3117.3
401R37.6Very low38Very low236 Ų236158.8 Ų158.889%0.89181%0.813SS**  trans-161.1133.7148.1-90.9132.2-161.1-94.76.4107.1G399G399-R401 PolarHBondContact O-N 3.18Å
402R40.7Very low37.9Very low214 Ų214159.6 Ų159.681%0.80883%0.825SS**  cis70.5117.736.2-90.3-162.9-177.7-126.79115.9
403R35.8Very low37.7Very low238 Ų238157.8 Ų157.890%0.89882%0.816SS**  trans78.8155.7165.2-50.9-177.8-167.2-134.16.9116.6
404G33.4Very low37.2Very low68 Ų68156.2 Ų156.270%0.70182%0.82SS**  trans11198.3-170.500000109.8
405A38.8Very low37Very low110 Ų110154.6 Ų154.691%0.90982%0.82SS**  49.8103.47500000110.7
406G33.8Very low37.1Very low77 Ų77149.4 Ų149.479%0.79481%0.814SS**  cis117.2104.119.900000108.6
407R43.4Very low37.1Very low253 Ų253150.5 Ų150.596%0.95581%0.809SS**  trans-130145.6176.6-72.6-172.2176.9-104.8-1.6110.1
408R36Very low37.2Very low225 Ų225151.2 Ų151.285%0.84981%0.805SS**  trans-99.5146.2178.8-56.3170.7-177.7166.1-1.1108.8V410R408-V410 HydrophobicContact CB-CG2 3.83Å
409S39.6Very low36.7Very low127 Ų127146.2 Ų146.289%0.88880%0.797SS**  trans-11397.9132.6-67.90000104.8
410V39Very low36.8Very low107 Ų107149.7 Ų149.765%0.64880%0.798SS**  71.1119.165.5-177.90000110.5R408R408-V410 HydrophobicContact CB-CG2 3.83Å
411R36.8Very low36.6Very low201 Ų201146.4 Ų146.476%0.75879%0.793SS**  trans-72.5161.7176.1-51.7163.3173.2152.6-7.7109.5I413R411-I413 HydrophobicContact CB-CG1 4.17Å; R411-I413 PolarHBondContact O-N 3.15Å; R411-I413 VanDerWaalsContact O-N 3.08Å
412P37.6Very low36.4Very low136 Ų136140.1 Ų140.188%0.88378%0.784SS**  trans-56.8110.2140.2-10.727.1000107.4
413I37.9Very low36.1Very low115 Ų115134.6 Ų134.659%0.5978%0.779SS**  trans-95128.3167.6-70.8177.7000105.7R411 V415R411-I413 HydrophobicContact CB-CG1 4.17Å; R411-I413 PolarHBondContact O-N 3.15Å; R411-I413 VanDerWaalsContact O-N 3.08Å; I413-V415 HydrophobicContact CG2-CG2 4.19Å
414G28.4Very low36.2Very low78 Ų78130.4 Ų130.480%0.80477%0.772SS**  trans-68.3137.3169.600000110.2
415V36.1Very low36.2Very low115 Ų115133.5 Ų133.570%0.69777%0.773SS**  trans-135.6116.1-174.3176.20000108.7I413I413-V415 HydrophobicContact CG2-CG2 4.19Å
416V35.7Very low36Very low125 Ų125133.2 Ų133.276%0.75876%0.764SS**  trans64.9106.1157.8175.10000114.6
417S33.5Very low36.2Very low101 Ų101135 Ų13571%0.70676%0.764SS**  60.8124.266.2-50.70000112.1
418P39.8Very low35.8Very low123 Ų123130.6 Ų130.680%0.79976%0.759SS**  -109.2165.856.62.220.3000112.4
419S31.9Very low36.1Very low109 Ų109124.1 Ų124.176%0.76275%0.746SS**  cis84.414333.1-151.60000114.2
420L39Very low35.8Very low144 Ų144126.2 Ų126.275%0.75474%0.742SS**  trans73.1127.7-163.8-48.9173.8000112.3
421E34.7Very low35.7Very low173 Ų173126 Ų12681%0.80874%0.741SS**  cis69.5127.142.8-57.1179.1170.100111.6
422C31.7Very low36Very low104 Ų104124.6 Ų124.670%0.70374%0.74SS**  cis-147.31396-107.70000109.6
423S34.7Very low36.2Very low98 Ų98125.9 Ų125.969%0.68573%0.734SS**  78.6142.5102.7-570000118
424I38.4Very low36.2Very low149 Ų149125.8 Ų125.876%0.76474%0.74SS**  trans84.3109.9149.1-71.1158.8000119.9
425N34.2Very low36.7Very low134 Ų134128.8 Ų128.872%0.71774%0.737SS**  trans72.3114.1139.6-62.86.2000124.4
426S33.8Very low36.7Very low103 Ų103129 Ų12972%0.7273%0.734SS**  65.8144.8115.9-510000123.5
427S38.2Very low36.9Very low114 Ų114129.1 Ų129.180%0.79773%0.73SS**  trans62.2120.2166.531.60000116.9
428L35.2Very low37.2Very low162 Ų162131.3 Ų131.385%0.84873%0.734SS**  cis66.7128.538.2-163.478.3000113.3
429P41.4Very low37.5Very low89 Ų89131.5 Ų131.558%0.57873%0.733SS**  cis-131.3-159.1-19.737.5-17.9000113.1
430E33.9Very low38Very low170 Ų170133.5 Ų133.579%0.79474%0.735SS**  trans71.7150.1163.4-64.7165.1-145.700115.5
431T36.5Very low38.1Very low104 Ų104132.8 Ų132.864%0.63873%0.732SS**  cis-157.4135.931.6-42.40000113
432K43.5Very low38.5Very low170 Ų170132.5 Ų132.574%0.73973%0.731SS**  trans54.1151.7151.7-72.6170.7-166.3164.10123.2
433Q41.2Very low38.7Very low163 Ų163131.5 Ų131.576%0.76273%0.73SS**  trans71.1141141.1-80.6162.7-31.700119.5
434T38.5Very low38.9Very low114 Ų114134.4 Ų134.470%0.69974%0.738SS**  cis-164.7164.9-22.30.60000110.2
435L39.2Very low38.8Very low141 Ų141135.3 Ų135.374%0.73874%0.743SS**  trans64.7108.8158.8-93.696.8000119.9
436N35.8Very low39.2Very low120 Ų120137 Ų13764%0.64275%0.752SS**  84132.4112.8-81.450.3000124.5
437D38.9Very low39.4Very low126 Ų126137 Ų13767%0.67475%0.751SS**  trans84.2121.1137.5-53.1-18.9000123.1
438D41.7Very low39.5Very low148 Ų148139.7 Ų139.779%0.79176%0.757SS**  trans83.7145.2145.6-67.1-21.7000125.2
439T45.5Very low39.7Very low127 Ų127138.2 Ų138.278%0.77975%0.754SS**  trans70.988.1165.651.70000120.9
440D41.2Very low39.7Very low150 Ų150138.9 Ų138.980%0.80276%0.761SS**  53.4149112.6-81.6-21.8000124.8
441N42.7Very low39.8Very low129 Ų129135.9 Ų135.969%0.6976%0.759SS**  trans88.6116.5153.3-80.4-65.1000122.2
442Q43.3Very low39.7Very low167 Ų167136.2 Ų136.278%0.7877%0.765SS**  trans76.290.4135.9-66.7178.750.100121.8
443A35.6Very low39.3Very low83 Ų83136.1 Ų136.169%0.68677%0.773SS**  80.1153.1111.300000121.6
444N37.5Very low39.4Very low160 Ų160132.9 Ų132.986%0.85677%0.768SS**  trans61.789.6161.8-59.9-30.3000118.2
445L37.8Very low39.9Very low167 Ų167134.2 Ų134.287%0.87477%0.771SS**  trans-138.7125.7142.5-115.2170.5000110.9
446L42.7Very low40.3Very low171 Ų171131.3 Ų131.390%0.89576%0.761SS**  trans-85.7136.2165.9-71.8165.4000108.2
447S38.1Very low41.7Very low101 Ų101134.3 Ų134.371%0.70677%0.769SS**  trans-142.2123.716848.10000110.6V449S447-V449 PolarHBondContact O-N 2.85Å
448D40.2Very low43.7Very low172 Ų172131.4 Ų131.492%0.9275%0.753SS**  trans-69.6122.9170.1-68.6-66.4000109.4
449V39.7Very low45.7Very low131 Ų131129 Ų12979%0.79475%0.745SS**  trans-119.1118.1168.5-179.80000108.6S447S447-V449 PolarHBondContact O-N 2.85Å
450S39.6Very low47.7Very low102 Ų102125.7 Ų125.771%0.71372%0.723SS**  trans-80.4151.4174.1-69.20000111.4
451S35.9Very low50.1Low108 Ų108122.2 Ų122.276%0.75571%0.71SS**SBendtrans66.2139161.451.30000119.9
452S34.4Very low52.6Low111 Ų111116.5 Ų116.578%0.77668%0.68SS**SBendtrans73.8133.7168.174.40000119S454S452-S454 PolarHBondContact O-N 2.84Å
453N35.8Very low54.8Low167 Ų167113 Ų11389%0.89367%0.672SS**  trans23.180.8162-62.55.2000118.6
454S42.7Very low57.4Low95 Ų95111 Ų11166%0.66465%0.648SS**  trans-103.3112153.1510000110.6S452 C456S452-S454 PolarHBondContact O-N 2.84Å; S454-C456 PolarHBondContact O-N 2.85Å
455D49.2Very low59.8Low143 Ų143110.3 Ų110.377%0.76564%0.644SS**  trans-71.765.6168.6-104.1-56.2000110.4K457D455-K457 PolarHBondContact O-N 2.8Å
456C48.3Very low62.2Low79 Ų79106 Ų10653%0.53464%0.641SS.*  trans-55.5109.4171.1-74.80000108.1S454 L458S454-C456 PolarHBondContact O-N 2.85Å; C456-L458 PolarHBondContact O-N 2.83Å
457K66.1Low64.5Low184 Ų18498.8 Ų98.880%0.860%0.604SS**  trans-7159.5-176.3-70.2-177.4178.6175.60112.2D455D455-K457 PolarHBondContact O-N 2.8Å
458L80.1Confident67Low64 Ų64102.8 Ų102.834%0.33561%0.611SS.*  trans-54.1123.2172.4-69174000108.4C456 L460 R470 A472C456-L458 PolarHBondContact O-N 2.83Å; L458-L460 VanDerWaalsContact C-N 3.27Å; L458-L460 PolarHBondContact O-N 2.92Å; L458-R470 HydrophobicContact CB-CB 3.65Å; L458-R470 HydrophobicContact CD1-CB 4.18Å; L458-R470 WeakPolarHBondContact CD1-O 3.31Å; L458-R470 PolarHBondContact O-NE 2.96Å; L458-R470 PolarHBondContact O-NH2 3.13Å; L458-A472 HydrophobicContact CD2-CB 3.95Å
459P83.1Confident69.4Low97 Ų97100.5 Ų100.563%0.6359%0.593SS**SBendtrans-70.2-20.1-160.424.7-35.4000114.3F471P459-F471 WeakPolarHBondContact CD-O 3.14Å
460L88.4Confident71.9Confident59 Ų5999 Ų9931%0.30957%0.574SS.*EExtended strand (participates in β ladder)trans-116.3117.8-175.4-57.3175.2000110.5L458 R470 F471 I474 M477L458-L460 VanDerWaalsContact C-N 3.27Å; L458-L460 PolarHBondContact O-N 2.92Å; L460-R470 CarbonylContact O-C 3.54Å; L460-R470 VanDerWaalsContact O-CA 3.23Å; L460-R470 WeakPolarHBondContact O-CA 3.44Å; L460-F471 HydrophobicContact CB-CB 4.48Å; L460-F471 PolarHBondContact N-O 2.87Å; L460-F471 PolarHBondContact O-N 2.78Å; L460-I474 HydrophobicContact CD1-CB 3.98Å; L460-M477 HydrophobicContact CB-CB 4.47Å
461S92.1Very high74.5Confident77 Ų7795.6 Ų95.654%0.53855%0.546SS..EExtended strand (participates in β ladder)trans-83161.7166.4470000111.5K469S461-K469 CarbonylContact C-O 3.58Å
462C94Very high77.2Confident9 Ų994 Ų946%0.06154%0.539CS..  trans-71.1133.2165.5-165.20000109.9F464 C467 K469 F471 H485C462-F464 PolarHBondContact O-N 3.17Å; C462-C467 HydrophobicContact CB-CB 3.94Å; C462-K469 PolarHBondContact N-O 2.93Å; C462-F471 HydrophobicContact CB-CE2 4.3Å; C462-H485 PolarHBondContact SG-NE2 2.9Å; C462-H485 VanDerWaalsContact SG-NE2 3.35Å
463P90.7Very high79.8Confident94 Ų9492 Ų9261%0.6152%0.52SS*.  trans-81.86175.933.3-35.8000113.7F481P463-F481 HydrophobicContact CG-CD2 3.88Å; P463-F481 HydrophobicContact CG-CE2 3.84Å
464F89.5Confident82.4Confident40 Ų4087.2 Ų87.218%0.17549%0.493CS..SBendtrans-79.2132.1176-170.8-86.2000110.7C462 G466 C467 F481 H485 Q489C462-F464 PolarHBondContact O-N 3.17Å; F464-G466 PolarHBondContact O-N 2.94Å; F464-C467 HydrophobicContact CB-CB 4.02Å; F464-C467 HydrophobicContact CD1-CB 4.27Å; F464-C467 VanDerWaalsContact O-CB 3.29Å; F464-C467 WeakPolarHBondContact O-CB 3.48Å; F464-C467 PolarHBondContact O-N 3.26Å; F464-F481 HydrophobicContact CB-CD2 4.46Å; F464-F481 HydrophobicContact CB-CE2 4.33Å; F464-H485 WeakPolarHBondContact CB-NE2 3.4Å; F464-H485 AromaticContact CD1-CE1 3.52Å; F464-H485 AromaticContact CD1-CG 3.8Å; F464-H485 AromaticContact CD1-ND1 3.28Å; F464-H485 VanDerWaalsContact CD1-ND1 3.28Å; F464-H485 WeakPolarHBondContact CD1-ND1 3.4Å; F464-H485 HydrophobicContact CD2-CB 3.71Å; F464-H485 AromaticContact CD2-CG 3.59Å; F464-H485 AromaticContact CD2-ND1 3.95Å; F464-H485 AromaticContact CE1-ND1 3.73Å; F464-H485 HydrophobicContact CE2-CB 3.91Å; F464-H485 HydrophobicContact CG-CB 4.09Å; F464-H485 AromaticContact CG-CD2 3.69Å; F464-H485 AromaticContact CG-CE1 3.68Å; F464-H485 AromaticContact CG-CG 3.43Å; F464-H485 VanDerWaalsContact CG-CG 3.43Å; F464-H485 AromaticContact CG-ND1 3.43Å; F464-H485 WeakPolarHBondContact CG-ND1 3.41Å; F464-H485 AromaticContact CG-NE2 3.85Å; F464-H485 HydrophobicContact CZ-CB 4.44Å; F464-Q489 HydrophobicContact CE2-CG 4.32Å
465N87.2Confident84.7Confident145 Ų14588.4 Ų88.478%0.77549%0.491SS*.THydrogen-bonded Turntrans-63129.7-175.2-157.938.3000111.3C467N465-C467 VanDerWaalsContact C-N 3.34Å
466G87.8Confident86.8Confident78 Ų7884.4 Ų84.480%0.80448%0.475SS*.THydrogen-bonded Turntrans74.215.4-172.500000115.3F464F464-G466 PolarHBondContact O-N 2.94Å
467C91.4Very high88.9Confident19 Ų1982.1 Ų82.113%0.12846%0.457CS..  trans-108.5103.2173.7-168.60000113.1C462 F464 N465 K469 H480 H485C462-C467 HydrophobicContact CB-CB 3.94Å; F464-C467 HydrophobicContact CB-CB 4.02Å; F464-C467 HydrophobicContact CD1-CB 4.27Å; F464-C467 VanDerWaalsContact O-CB 3.29Å; F464-C467 WeakPolarHBondContact O-CB 3.48Å; F464-C467 PolarHBondContact O-N 3.26Å; N465-C467 VanDerWaalsContact C-N 3.34Å; C467-K469 PolarHBondContact O-N 3.46Å; C467-H480 PolarHBondContact SG-NE2 3.22Å; C467-H485 VanDerWaalsContact CB-CE1 3.45Å; C467-H485 WeakPolarHBondContact CB-CE1 3.39Å; C467-H485 PolarHBondContact SG-CE1 3.45Å; C467-H485 PolarHBondContact SG-NE2 3.01Å
468E90.3Very high90Very high184 Ų18480.1 Ų80.186%0.8644%0.444SS*.  trans-81.44.4-178.2-59.5178.9159.900114
469K91Very high90.6Very high124 Ų12483.9 Ų83.954%0.53946%0.458SS..  trans-70.7135.4-175.9-58.6-160.5-171.4-167.40111.6S461 C462 C467 F471S461-K469 CarbonylContact C-O 3.58Å; C462-K469 PolarHBondContact N-O 2.93Å; C467-K469 PolarHBondContact O-N 3.46Å; K469-F471 HydrophobicContact CB-CE2 3.86Å; K469-F471 HydrophobicContact CB-CZ 3.62Å; K469-F471 WeakPolarHBondContact O-CE2 3.4Å
470R93Very high91.1Very high101 Ų10180.3 Ų80.338%0.38143%0.433SS..EExtended strand (participates in β ladder)trans-120.8156-179.1-53.1174.665.1162.26.6111.5L458 L460L458-R470 HydrophobicContact CB-CB 3.65Å; L458-R470 HydrophobicContact CD1-CB 4.18Å; L458-R470 WeakPolarHBondContact CD1-O 3.31Å; L458-R470 PolarHBondContact O-NE 2.96Å; L458-R470 PolarHBondContact O-NH2 3.13Å; L460-R470 CarbonylContact O-C 3.54Å; L460-R470 VanDerWaalsContact O-CA 3.23Å; L460-R470 WeakPolarHBondContact O-CA 3.44Å
471F94.3Very high91.1Very high30 Ų3081.9 Ų81.913%0.13244%0.437CS..EExtended strand (participates in β ladder)trans-141.4146.3-167.4-57.7-77.9000112.6P459 L460 C462 K469 M477 H480P459-F471 WeakPolarHBondContact CD-O 3.14Å; L460-F471 HydrophobicContact CB-CB 4.48Å; L460-F471 PolarHBondContact N-O 2.87Å; L460-F471 PolarHBondContact O-N 2.78Å; C462-F471 HydrophobicContact CB-CE2 4.3Å; K469-F471 HydrophobicContact CB-CE2 3.86Å; K469-F471 HydrophobicContact CB-CZ 3.62Å; K469-F471 WeakPolarHBondContact O-CE2 3.4Å; F471-M477 HydrophobicContact CB-CB 3.88Å; F471-M477 HydrophobicContact CD2-CB 3.6Å; F471-M477 HydrophobicContact CD2-CG 3.76Å; F471-M477 HydrophobicContact CE2-CB 4.45Å; F471-M477 HydrophobicContact CE2-CG 4.35Å; F471-M477 HydrophobicContact CG-CB 3.78Å; F471-M477 HydrophobicContact CG-CG 4.45Å; F471-H480 HydrophobicContact CE1-CB 3.67Å; F471-H480 HydrophobicContact CE2-CB 4.11Å; F471-H480 AromaticContact CE2-CD2 3.56Å; F471-H480 HydrophobicContact CZ-CB 3.36Å; F471-H480 AromaticContact CZ-CD2 3.23Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.06Å; F471-H480 AromaticContact CZ-CG 3.37Å
472A91.3Very high90.9Very high73 Ų7383 Ų8360%0.60344%0.441SS*.SBendtrans-75.2-31.2176.800000112.8L458L458-A472 HydrophobicContact CD2-CB 3.95Å
473D88.8Confident90.5Very high71 Ų7187.6 Ų87.638%0.3846%0.463SS..SBendtrans-140.3155.2-175.6173.952000112.1L475 S476 M477D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 2.87Å; D473-L475 WeakPolarHBondContact OD2-CB 3.32Å; D473-L475 WeakPolarHBondContact OD2-CG 3.47Å; D473-L475 PolarHBondContact OD2-N 2.89Å; D473-S476 PolarHBondContact O-N 3.32Å; D473-M477 PolarHBondContact O-N 2.8Å; D473-M477 VanDerWaalsContact O-N 3.1Å
474I91.6Very high90.1Very high66 Ų6685 Ų8534%0.33845%0.453SS..Hα-helixtrans-63.7-27.9-178.9-163.5172.1000112.6L460 M477 R478L460-I474 HydrophobicContact CD1-CB 3.98Å; I474-M477 HydrophobicContact CG1-CE 4.25Å; I474-R478 HydrophobicContact CG1-CG 4.36Å; I474-R478 VanDerWaalsContact O-CB 3.28Å; I474-R478 WeakPolarHBondContact O-CB 3.45Å; I474-R478 VanDerWaalsContact O-CG 3.23Å; I474-R478 WeakPolarHBondContact O-CG 3.34Å; I474-R478 PolarHBondContact O-N 3.06Å
475L91.3Very high89.9Confident119 Ų11984 Ų8462%0.62345%0.449SS*.Hα-helixtrans-69.4-40.7175.3-58.7174.6000111.3D473 R478 F479D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 2.87Å; D473-L475 WeakPolarHBondContact OD2-CB 3.32Å; D473-L475 WeakPolarHBondContact OD2-CG 3.47Å; D473-L475 PolarHBondContact OD2-N 2.89Å; L475-R478 PolarHBondContact O-N 2.97Å; L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 2.91Å
476S92.1Very high88.9Confident59 Ų5983.3 Ų83.341%0.41344%0.441SS..Hα-helixtrans-66.4-42.5175.6-54.60000111.7D473 F479 H480D473-S476 PolarHBondContact O-N 3.32Å; S476-F479 PolarHBondContact O-N 2.87Å; S476-H480 PolarHBondContact O-N 3.39Å
477M92.5Very high87.6Confident31 Ų3184.8 Ų84.815%0.15343%0.43CS..Hα-helixtrans-62.3-46.9175.1-176.3-88.1-8100111.6L460 F471 D473 I474 H480 F481L460-M477 HydrophobicContact CB-CB 4.47Å; F471-M477 HydrophobicContact CB-CB 3.88Å; F471-M477 HydrophobicContact CD2-CB 3.6Å; F471-M477 HydrophobicContact CD2-CG 3.76Å; F471-M477 HydrophobicContact CE2-CB 4.45Å; F471-M477 HydrophobicContact CE2-CG 4.35Å; F471-M477 HydrophobicContact CG-CB 3.78Å; F471-M477 HydrophobicContact CG-CG 4.45Å; D473-M477 PolarHBondContact O-N 2.8Å; D473-M477 VanDerWaalsContact O-N 3.1Å; I474-M477 HydrophobicContact CG1-CE 4.25Å; M477-H480 PolarHBondContact O-N 3.23Å; M477-F481 WeakPolarHBondContact O-CB 3.47Å; M477-F481 PolarHBondContact O-N 2.82Å
478R90.7Very high86Confident142 Ų14285.9 Ų85.954%0.53644%0.438SS..Hα-helixtrans-62.6-43.6177.1-76.6172.7173.4174-1.2112.5I474 L475 H480 F481 T482I474-R478 HydrophobicContact CG1-CG 4.36Å; I474-R478 VanDerWaalsContact O-CB 3.28Å; I474-R478 WeakPolarHBondContact O-CB 3.45Å; I474-R478 VanDerWaalsContact O-CG 3.23Å; I474-R478 WeakPolarHBondContact O-CG 3.34Å; I474-R478 PolarHBondContact O-N 3.06Å; L475-R478 PolarHBondContact O-N 2.97Å; R478-H480 VanDerWaalsContact C-N 3.32Å; R478-H480 PolarHBondContact O-N 3.46Å; R478-F481 PolarHBondContact O-N 3.3Å; R478-T482 PolarHBondContact O-N 3.28Å; R478-T482 PolarHBondContact O-OG1 3.28Å
479F91Very high84.3Confident144 Ų14483.7 Ų83.763%0.63243%0.428SS*.Hα-helixtrans-59.4-44.3176179.2-97.7000111.5L475 S476 M483L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 2.91Å; S476-F479 PolarHBondContact O-N 2.87Å; F479-M483 HydrophobicContact CD2-CG 4.09Å; F479-M483 HydrophobicContact CE1-CG 4.47Å; F479-M483 HydrophobicContact CE2-CG 3.8Å; F479-M483 HydrophobicContact CZ-CG 4.01Å; F479-M483 WeakPolarHBondContact O-CB 3.41Å; F479-M483 WeakPolarHBondContact O-CG 3.46Å; F479-M483 PolarHBondContact O-N 2.97Å
480H93.7Very high82.4Confident22 Ų2281.7 Ų81.710%0.10243%0.426CS..Hα-helixtrans-65-45174.4172.649000112.6C467 F471 S476 M477 R478 T482 M483 G484 H485C467-H480 PolarHBondContact SG-NE2 3.22Å; F471-H480 HydrophobicContact CE1-CB 3.67Å; F471-H480 HydrophobicContact CE2-CB 4.11Å; F471-H480 AromaticContact CE2-CD2 3.56Å; F471-H480 HydrophobicContact CZ-CB 3.36Å; F471-H480 AromaticContact CZ-CD2 3.23Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.06Å; F471-H480 AromaticContact CZ-CG 3.37Å; S476-H480 PolarHBondContact O-N 3.39Å; M477-H480 PolarHBondContact O-N 3.23Å; R478-H480 VanDerWaalsContact C-N 3.32Å; R478-H480 PolarHBondContact O-N 3.46Å; H480-T482 VanDerWaalsContact C-N 3.35Å; H480-T482 PolarHBondContact O-N 3.06Å; H480-M483 PolarHBondContact O-N 3.15Å; H480-G484 VanDerWaalsContact O-CA 3.28Å; H480-G484 WeakPolarHBondContact O-CA 3.39Å; H480-G484 PolarHBondContact O-N 2.93Å; H480-H485 AromaticContact CE1-NE2 3.53Å; H480-H485 AromaticContact NE2-CE1 3.95Å; H480-H485 AromaticContact NE2-NE2 3.17Å; H480-H485 PolarHBondContact NE2-NE2 3.22Å; H480-H485 VanDerWaalsContact NE2-NE2 3.17Å
481F89Confident80.3Confident91 Ų9182.7 Ų82.740%0.39944%0.436SS..Hα-helixtrans-58.9-45.8-179.7-176.3-102.7000111.7P463 F464 M477 R478P463-F481 HydrophobicContact CG-CD2 3.88Å; P463-F481 HydrophobicContact CG-CE2 3.84Å; F464-F481 HydrophobicContact CB-CD2 4.46Å; F464-F481 HydrophobicContact CB-CE2 4.33Å; M477-F481 WeakPolarHBondContact O-CB 3.47Å; M477-F481 PolarHBondContact O-N 2.82Å; R478-F481 PolarHBondContact O-N 3.3Å
482T87.7Confident78.2Confident100 Ų10087.4 Ų87.461%0.61346%0.459SS*.Hα-helixtrans-68.9-45.6178-58.60000113.1R478 H480R478-T482 PolarHBondContact O-N 3.28Å; R478-T482 PolarHBondContact O-OG1 3.28Å; H480-T482 VanDerWaalsContact C-N 3.35Å; H480-T482 PolarHBondContact O-N 3.06Å
483M85Confident76.2Confident106 Ų10691.3 Ų91.352%0.52246%0.462SS..Hα-helixtrans-90.5-29.6-171.6-59.6-57.6-64.600113.8F479 H480 H486F479-M483 HydrophobicContact CD2-CG 4.09Å; F479-M483 HydrophobicContact CE1-CG 4.47Å; F479-M483 HydrophobicContact CE2-CG 3.8Å; F479-M483 HydrophobicContact CZ-CG 4.01Å; F479-M483 WeakPolarHBondContact O-CB 3.41Å; F479-M483 WeakPolarHBondContact O-CG 3.46Å; F479-M483 PolarHBondContact O-N 2.97Å; H480-M483 PolarHBondContact O-N 3.15Å; M483-H486 PolarHBondContact O-ND1 2.83Å
484G82.7Confident74.3Confident39 Ų3994.5 Ų94.540%0.40247%0.473SS..Hα-helixtrans-85.9-23.5-168.100000115.8H480H480-G484 VanDerWaalsContact O-CA 3.28Å; H480-G484 WeakPolarHBondContact O-CA 3.39Å; H480-G484 PolarHBondContact O-N 2.93Å
485H85Confident72.1Confident21 Ų2196.9 Ų96.910%0.09749%0.486CS..SBendtrans-108.55.2-173.1-66.4-60.2000115C462 F464 C467 H480 N487 S488C462-H485 PolarHBondContact SG-NE2 2.9Å; C462-H485 VanDerWaalsContact SG-NE2 3.35Å; F464-H485 WeakPolarHBondContact CB-NE2 3.4Å; F464-H485 AromaticContact CD1-CE1 3.52Å; F464-H485 AromaticContact CD1-CG 3.8Å; F464-H485 AromaticContact CD1-ND1 3.28Å; F464-H485 VanDerWaalsContact CD1-ND1 3.28Å; F464-H485 WeakPolarHBondContact CD1-ND1 3.4Å; F464-H485 HydrophobicContact CD2-CB 3.71Å; F464-H485 AromaticContact CD2-CG 3.59Å; F464-H485 AromaticContact CD2-ND1 3.95Å; F464-H485 AromaticContact CE1-ND1 3.73Å; F464-H485 HydrophobicContact CE2-CB 3.91Å; F464-H485 HydrophobicContact CG-CB 4.09Å; F464-H485 AromaticContact CG-CD2 3.69Å; F464-H485 AromaticContact CG-CE1 3.68Å; F464-H485 AromaticContact CG-CG 3.43Å; F464-H485 VanDerWaalsContact CG-CG 3.43Å; F464-H485 AromaticContact CG-ND1 3.43Å; F464-H485 WeakPolarHBondContact CG-ND1 3.41Å; F464-H485 AromaticContact CG-NE2 3.85Å; F464-H485 HydrophobicContact CZ-CB 4.44Å; C467-H485 VanDerWaalsContact CB-CE1 3.45Å; C467-H485 WeakPolarHBondContact CB-CE1 3.39Å; C467-H485 PolarHBondContact SG-CE1 3.45Å; C467-H485 PolarHBondContact SG-NE2 3.01Å; H480-H485 AromaticContact CE1-NE2 3.53Å; H480-H485 AromaticContact NE2-CE1 3.95Å; H480-H485 AromaticContact NE2-NE2 3.17Å; H480-H485 PolarHBondContact NE2-NE2 3.22Å; H480-H485 VanDerWaalsContact NE2-NE2 3.17Å; H485-N487 PolarHBondContact O-N 3.05Å; H485-S488 PolarHBondContact O-N 3.32Å
486H66.3Low70.2Confident130 Ų13098.8 Ų98.860%0.60249%0.494SS*.THydrogen-bonded Turntrans-61.7-17.8-176.977-94.6000114.5M483M483-H486 PolarHBondContact O-ND1 2.83Å
487N61.4Low68Low109 Ų109106.5 Ų106.558%0.58351%0.514SS*.THydrogen-bonded Turntrans-1071176-88.4-19.5000114.6H485 T490H485-N487 PolarHBondContact O-N 3.05Å; N487-T490 PolarHBondContact O-OG1 2.91Å; N487-T490 VanDerWaalsContact O-OG1 3.05Å
488S58.5Low65.8Low42 Ų42112.9 Ų112.929%0.29454%0.543SS..THydrogen-bonded Turntrans-85.1-41-178.6-590000112.2H485 T490 M491H485-S488 PolarHBondContact O-N 3.32Å; S488-T490 PolarHBondContact O-N 3.21Å; S488-T490 VanDerWaalsContact O-N 3.12Å; S488-M491 PolarHBondContact O-N 3.05Å; S488-M491 VanDerWaalsContact O-N 3.12Å
489Q53Low63.6Low138 Ų138110.6 Ų110.665%0.64555%0.549SS*.Hα-helixtrans-66-14.8-179-64-172.84.100114.1F464F464-Q489 HydrophobicContact CE2-CG 4.32Å
490T51.1Low61.3Low81 Ų81110.7 Ų110.750%0.49756%0.556SS.*Hα-helixtrans-85.9-13176.845.80000113.6N487 S488N487-T490 PolarHBondContact O-OG1 2.91Å; N487-T490 VanDerWaalsContact O-OG1 3.05Å; S488-T490 PolarHBondContact O-N 3.21Å; S488-T490 VanDerWaalsContact O-N 3.12Å
491M49.1Very low58.8Low122 Ų122116.1 Ų116.160%0.60159%0.59SS**Hα-helixtrans-90-44178-68-59.6-158.300112.8S488 K493 K494 N495S488-M491 PolarHBondContact O-N 3.05Å; S488-M491 VanDerWaalsContact O-N 3.12Å; M491-K493 VanDerWaalsContact C-N 3.27Å; M491-K493 PolarHBondContact O-N 3.27Å; M491-K494 WeakPolarHBondContact O-CB 3.46Å; M491-K494 PolarHBondContact O-N 3.18Å; M491-N495 PolarHBondContact O-N 3.05Å; M491-N495 VanDerWaalsContact O-N 3.16Å
492E50.5Low56.5Low130 Ų130120 Ų12061%0.60761%0.609SS**Hα-helixtrans-61.6-36.4178.1-66.5-176.2131.400112.1K494 N495 M496E492-K494 PolarHBondContact O-N 2.74Å; E492-N495 PolarHBondContact O-N 3.32Å; E492-M496 PolarHBondContact O-N 3.5Å; E492-M496 VanDerWaalsContact O-N 3.12Å
493K49.4Very low54.4Low155 Ų155120.5 Ų120.567%0.67461%0.614SS**Hα-helixtrans-73.3-6173.2-77.2-174.4175.4178.20114.9M491M491-K493 VanDerWaalsContact C-N 3.27Å; M491-K493 PolarHBondContact O-N 3.27Å
494K48Very low52.3Low137 Ų137121.8 Ų121.860%0.59663%0.628SS**Hα-helixtrans-88.6-53.5165.7-78.7-175.2170.6-170.20110.7M491 E492 M496 R497 E498M491-K494 WeakPolarHBondContact O-CB 3.46Å; M491-K494 PolarHBondContact O-N 3.18Å; E492-K494 PolarHBondContact O-N 2.74Å; K494-M496 VanDerWaalsContact C-N 3.33Å; K494-M496 PolarHBondContact O-N 3.15Å; K494-R497 WeakPolarHBondContact O-CA 3.34Å; K494-R497 WeakPolarHBondContact O-CB 3.4Å; K494-R497 PolarHBondContact O-N 2.91Å; K494-E498 PolarHBondContact O-N 3.02Å
495N47.1Very low50.3Low117 Ų117126.1 Ų126.163%0.62665%0.646SS**Hα-helixtrans-59.4-39.5-178-71.915.9000113.1M491 E492 R497 E498M491-N495 PolarHBondContact O-N 3.05Å; M491-N495 VanDerWaalsContact O-N 3.16Å; E492-N495 PolarHBondContact O-N 3.32Å; N495-R497 PolarHBondContact O-N 2.86Å; N495-E498 PolarHBondContact O-N 3.08Å
496M49.9Very low48.2Very low158 Ų158131.7 Ų131.778%0.77868%0.677SS**THydrogen-bonded Turntrans-68.3-10.4174.1-85.5-165.2171.900114.8E492 K494E492-M496 PolarHBondContact O-N 3.5Å; E492-M496 VanDerWaalsContact O-N 3.12Å; K494-M496 VanDerWaalsContact C-N 3.33Å; K494-M496 PolarHBondContact O-N 3.15Å
497R46.2Very low46.8Very low221 Ų221133.6 Ų133.683%0.83469%0.686SS**THydrogen-bonded Turntrans-99.8-0.5177.4-147.7176-171.3-175.71.2113.1K494 N495K494-R497 WeakPolarHBondContact O-CA 3.34Å; K494-R497 WeakPolarHBondContact O-CB 3.4Å; K494-R497 PolarHBondContact O-N 2.91Å; N495-R497 PolarHBondContact O-N 2.86Å
498E47.4Very low45.5Very low165 Ų165134.6 Ų134.677%0.77170%0.696SS**SBendtrans-117.33.1-174.1-151.9152.1-151.900111.7K494 N495K494-E498 PolarHBondContact O-N 3.02Å; N495-E498 PolarHBondContact O-N 3.08Å
499S43Very low44.3Very low94 Ų94141.5 Ų141.566%0.65772%0.715SS**SBendtrans-118.517.4177.176.30000113.9
500L43Very low43.3Very low147 Ų147146.9 Ų146.977%0.7773%0.73SS**SBendtrans-106112.2174.9-101.1161.3000108.8
501V42.1Very low42.7Very low135 Ų135149 Ų14982%0.81874%0.737SS**PPolyproline II helixtrans-57.6135.6179.6177.70000110.2
502E39.4Very low41.9Very low173 Ų173152.9 Ų152.981%0.80875%0.75SS**PPolyproline II helixtrans-61.3130.8178.5-68.5-169.4123.900111.7
503P43.7Very low41.5Very low110 Ų110151.7 Ų151.771%0.71476%0.756SS**PPolyproline II helixtrans-70.4125.7155.130.7-30000108.1V505P503-V505 PolarHBondContact O-N 2.97Å; P503-V505 VanDerWaalsContact O-N 3.12Å
504V40.8Very low41Very low133 Ų133152.6 Ų152.681%0.80676%0.763SS**PPolyproline II helixtrans-60.3116.5176.7177.80000109.4
505V41.9Very low40.7Very low131 Ų131152.6 Ų152.679%0.79477%0.77SS**  trans-101.6108.6171.1-179.80000108.1P503P503-V505 PolarHBondContact O-N 2.97Å; P503-V505 VanDerWaalsContact O-N 3.12Å
506D39.9Very low40.4Very low138 Ų138155.5 Ų155.574%0.73878%0.777SS**  trans-65.7152.2-178.7-107.6-46.4000113.3V508D506-V508 PolarHBondContact O-N 3.26Å
507Q37Very low40Very low169 Ų169154 Ų15479%0.7977%0.772SS**  trans-75.691.1-167.3-62.9-179.317.700113.4R509Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.26Å
508V35Very low39.8Very low130 Ų130149.6 Ų149.679%0.78877%0.765SS**  trans-72.688.6163.6-175.80000109.5D506 W510D506-V508 PolarHBondContact O-N 3.26Å; V508-W510 PolarHBondContact O-N 3.22Å
509R32.1Very low39.6Very low187 Ų187148 Ų14871%0.70676%0.762SS**  trans-69117.1176.6-179.2-174.1-67.9-151.3-1.3110.5Q507 I511Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.26Å; R509-I511 HydrophobicContact CG-CG1 3.96Å; R509-I511 PolarHBondContact O-N 2.83Å
510W33.1Very low39.5Very low251 Ų251150.2 Ų150.295%0.95177%0.766SS**  trans-68.296.3169.5-68.986.2000110.8V508V508-W510 PolarHBondContact O-N 3.22Å
511I38.7Very low39.1Very low125 Ų125150.2 Ų150.264%0.64177%0.766SS**  trans-94.5121.1166.2-60.4-178.6000107.7R509R509-I511 HydrophobicContact CG-CG1 3.96Å; R509-I511 PolarHBondContact O-N 2.83Å
512K31.5Very low38.6Very low204 Ų204151.8 Ų151.889%0.88777%0.765SS**  trans-79.2124.4159-72.7-173.9174.7-169.70108.1
513S42.1Very low38.4Very low105 Ų105150.8 Ų150.873%0.73476%0.763SS**  trans-144.2140.2157.8-63.20000107.7
514E38.3Very low37.8Very low174 Ų174150.2 Ų150.281%0.81376%0.762SS**  trans-98.6168.9-179.6-69.7158.6152.400108.8
515D42.2Very low37.6Very low138 Ų138150.4 Ų150.474%0.73876%0.763SS**  trans76.8153166-47-34.4000121.1
516F41.8Very low37.4Very low178 Ų178149.3 Ų149.378%0.78176%0.76SS**  trans74.279.4164.3-56.2-64000121.6
517D40.9Very low37.1Very low126 Ų126149.9 Ų149.967%0.67476%0.763SS**  57.8109.5112-67.4-37.1000122.8
518N42.7Very low37.1Very low128 Ų128150 Ų15068%0.68477%0.767SS**  70.6132.4122.7-64.9-44.5000123.2
519N42Very low37.1Very low132 Ų132148.4 Ų148.471%0.70676%0.762SS**  trans67.196.4145.3-59.3-14.8000119.5
520N40.4Very low37.4Very low141 Ų141144.2 Ų144.275%0.75477%0.768SS**  170.8144.288.6-89.8-38.2000114.3
521L36.2Very low37.6Very low146 Ų146139.5 Ų139.576%0.76476%0.761SS**  trans61149.6162.2-85.475.7000117.5
522E31.7Very low37.4Very low168 Ų168139.1 Ų139.179%0.78577%0.769SS**  cis-163-159.7-24.2-146.6-173.7158.100108.5
523I34.3Very low37.8Very low152 Ų152135 Ų13578%0.77977%0.766SS**  trans8582.1166.2-46.3173.1000116.8
524S32.2Very low38.4Very low98 Ų98135.3 Ų135.369%0.68577%0.765SS**  42.9103.3125.7-1720000119.9
525V35.4Very low38.6Very low137 Ų137132.3 Ų132.383%0.8376%0.761SS**PPolyproline II helixtrans-98.1135.9146.6177.40000108.1
526C38.4Very low39.1Very low108 Ų108131.8 Ų131.873%0.7377%0.765SS**PPolyproline II helixtrans-97124.9176.4-63.30000110.9
527D32.9Very low39.6Very low150 Ų150133.1 Ų133.180%0.80277%0.771SS**PPolyproline II helixtrans-70.3141.1177.2-69.1-62.3000113.2
528I38Very low39.6Very low172 Ų172135.3 Ų135.388%0.88278%0.782SS**  trans-127.1105.1146-61.1-178000107
529S33.6Very low39.4Very low97 Ų97134.1 Ų134.168%0.67879%0.79SS**  trans-89.7137.5179.651.10000111.7
530A39.1Very low39.2Very low99 Ų99138.6 Ų138.682%0.81880%0.797SS**  trans-139.3102.6167.900000107.8
531N37.4Very low38.7Very low152 Ų152136.1 Ų136.181%0.81380%0.796SS**PPolyproline II helixtrans-70.5143.9-166.2-72.8-15.1000113.2
532S34.7Very low38.9Very low116 Ų116137.4 Ų137.481%0.81180%0.798SS**PPolyproline II helixtrans-76.4129.7174.549.80000112
533S40.2Very low38.8Very low117 Ų117135.6 Ų135.682%0.81880%0.803SS**PPolyproline II helixtrans-86.4122.6169.5-67.20000110.3
534P53.2Low39.2Very low112 Ų112134.9 Ų134.973%0.72781%0.805SS**PPolyproline II helixtrans-74.9153.8175.531.4-34.8000111.6
535P43Very low39.3Very low111 Ų111139 Ų13972%0.72181%0.811SS**PPolyproline II helixtrans-66.4147177.628.2-35.1000111.7K537P535-K537 PolarHBondContact O-N 3.28Å
536P53.6Low39.5Very low128 Ų128137.8 Ų137.883%0.83180%0.799SS**PPolyproline II helixtrans-64.2126.1-177.425.6-34.1000111.4L538P536-L538 PolarHBondContact O-N 3.06Å
537K52.7Low39.3Very low205 Ų205143.4 Ų143.489%0.89181%0.805SS**PPolyproline II helixtrans-72.7120.2176.3-68.1177.5-178.7173.20109.6P535 A539P535-K537 PolarHBondContact O-N 3.28Å; K537-A539 PolarHBondContact O-N 2.96Å
538L40.1Very low39.5Very low172 Ų172141.1 Ų141.190%0.90180%0.801SS**  trans-58.9110.1172.1-74.5165.8000110.2P536 R540P536-L538 PolarHBondContact O-N 3.06Å; L538-R540 PolarHBondContact O-N 3.28Å
539A38.1Very low39.5Very low104 Ų104137.3 Ų137.386%0.8679%0.79SS**PPolyproline II helixtrans-63.8119.6174.600000109.8K537K537-A539 PolarHBondContact O-N 2.96Å
540R38.2Very low39.7Very low225 Ų225139.6 Ų139.685%0.84980%0.795SS**PPolyproline II helixtrans-82.7133.4179-171.4177.6-177.5120.3-4.1109.1L538 H542L538-R540 PolarHBondContact O-N 3.28Å; R540-H542 PolarHBondContact O-N 2.86Å
541A29.8Very low39.7Very low90 Ų90139.3 Ų139.374%0.74479%0.786SS**PPolyproline II helixtrans-58.1131.5-177.900000112.4
542H39.9Very low39.8Very low172 Ų172138.7 Ų138.780%0.79678%0.783SS**  trans-108119.2163.5-83.6-100.6000108.5R540R540-H542 PolarHBondContact O-N 2.86Å
543C31.1Very low40Very low131 Ų131141.8 Ų141.889%0.88579%0.785SS**  trans-91.2107172.9-57.90000108.7
544T42.2Very low39.9Very low136 Ų136143.2 Ų143.283%0.83479%0.789SS**  trans-115.7135.6164.445.70000108.9
545K34.4Very low39Very low186 Ų186142.4 Ų142.481%0.80979%0.786SS**  trans-103.9179.6-175.2-169.1175.6170.9-175.80109
546D38.7Very low38.8Very low110 Ų110144.6 Ų144.659%0.58879%0.791SS**  trans82.5114.1173.6-53.7-50000112.2
547R34.2Very low38Very low226 Ų226144.2 Ų144.285%0.85379%0.786SS**  72133.184.7-71.8167.5163.9177.8-9.1111.5
548S37.1Very low37.3Very low102 Ų102141.7 Ų141.771%0.71378%0.781SS**  cis-171.6163.8040.80000110.4
549S37.9Very low37.2Very low93 Ų93138.2 Ų138.265%0.6577%0.767SS**  trans73.1132.1162.7-69.40000117.3
550D37.4Very low37.3Very low145 Ų145140.9 Ų140.978%0.77577%0.767SS**  71.9133.372.3-45-45000111.6
551S39.5Very low37.4Very low92 Ų92133.4 Ų133.464%0.64376%0.76SS**  cis-166-164.8-6.955.10000109.4
552N40.7Very low38.2Very low140 Ų140136.9 Ų136.975%0.74977%0.766SS**  trans79117.1169.7-39.6-21.5000113.9
553E37.3Very low38.4Very low180 Ų180135.7 Ų135.784%0.84177%0.766SS**  cis82.1106.633.7-58.1-169.2-159.700116.3
554T38.5Very low39.4Very low147 Ų147137.6 Ų137.690%0.90277%0.765SS**  trans174.9145.414519.10000107
555S35.4Very low39.5Very low96 Ų96137.9 Ų137.967%0.67176%0.762SS**  cis152.7161.8-20.3-178.90000105.8
556L38.4Very low40.5Very low156 Ų156136.3 Ų136.382%0.81776%0.762SS**  trans72.5106.5-177.3-44.5-179.8000113.8
557V35.9Very low40.7Very low120 Ų120137.4 Ų137.473%0.72777%0.768SS**  cis88.2127.730.1-174.80000114.6
558L38.8Very low41.6Very low153 Ų153133.8 Ų133.880%0.80176%0.764SS**  trans157.197.9145.4-82.7170.7000107.8
559T38.4Very low42.4Very low98 Ų98133.8 Ų133.860%0.60176%0.756SS**  62.9131.883.864.70000113.9
560N40.1Very low42.9Very low161 Ų161134 Ų13486%0.86176%0.755SS**  cis-140.7177.815.1-49.5-85.6000108.9
561G40.9Very low43.4Very low67 Ų67132.8 Ų132.869%0.69176%0.755SS**  cis170-173.11.900000111.2
562D46.2Very low43.3Very low163 Ų163135.9 Ų135.987%0.87276%0.757SS**  trans74.997.1168.2-58-5.3000118.5
563D44Very low43.3Very low148 Ų148137.6 Ų137.679%0.79177%0.765SS**  trans-68.6160.9-178.1-46.1-104.3000116.1
564I52.5Low43.5Very low171 Ų171136 Ų13688%0.87776%0.757SS**  -166.9119.8120.2-95.2152.2000108.1
565D44.1Very low43.4Very low142 Ų142138.7 Ų138.776%0.75975%0.751SS**  trans-97.8143.6-178.6-106.2-44.8000111.8
566D53.8Low43.2Very low153 Ų153140.7 Ų140.782%0.81876%0.759SS**  trans-137.763.3166-127.6-25.5000109.7I568D566-I568 PolarHBondContact O-N 3.08Å
567N43.3Very low43.1Very low133 Ų133139.4 Ų139.471%0.71176%0.757SS**  trans-88.398.9-174.7-18023.1000112.1
568I53.7Low42.9Very low150 Ų150138.5 Ų138.577%0.76976%0.756SS**  trans-99.593.5175.9-61.9179.6000110.5D566D566-I568 PolarHBondContact O-N 3.08Å
569D53Low42.7Very low101 Ų101139.1 Ų139.154%0.5476%0.758SS.*PPolyproline II helixtrans-67.9132.5174-152.118.6000110.2K572D569-K572 IonicContact OD1-NZ 3.94Å; D569-K572 IonicContact OD2-NZ 2.87Å; D569-K572 PolarHBondContact OD2-NZ 3.11Å
570P48.5Very low42.7Very low97 Ų97139.3 Ų139.363%0.6376%0.764SS**PPolyproline II helixtrans-69.3137.9177.227.5-34.2000111.3K572P570-K572 PolarHBondContact O-N 2.94Å
571P48.2Very low42.3Very low120 Ų120139.1 Ų139.178%0.77976%0.763SS**PPolyproline II helixtrans-68.6118.5-168.825.4-34.4000113.1L573P571-L573 PolarHBondContact O-N 3.41Å
572K38.4Very low42.2Very low158 Ų158141.3 Ų141.369%0.68777%0.768SS**  trans-72.291.9173.9-67.2161.3-176.8121.50110.1D569 P570 H574D569-K572 IonicContact OD1-NZ 3.94Å; D569-K572 IonicContact OD2-NZ 2.87Å; D569-K572 PolarHBondContact OD2-NZ 3.11Å; P570-K572 PolarHBondContact O-N 2.94Å; K572-H574 PolarHBondContact O-N 3.38Å
573L40.5Very low41.6Very low175 Ų175143.7 Ų143.792%0.91677%0.771SS**  trans-62.1118.8175.4-80.9175.5000111.2P571P571-L573 PolarHBondContact O-N 3.41Å
574H40.5Very low41.4Very low147 Ų147142.5 Ų142.568%0.68177%0.774SS**  trans-87.8137.9-174.3-123.4-146.2000111.7K572K572-H574 PolarHBondContact O-N 3.38Å
575R36.8Very low40.5Very low203 Ų203142.1 Ų142.177%0.76677%0.774SS**  trans43.7110.9154.6-65.8-174.7173.9126.54.8118.6V577R575-V577 PolarHBondContact O-N 3.23Å
576V30.6Very low40.3Very low139 Ų139139.2 Ų139.284%0.84277%0.769SS**  trans-32.4124149.61790000112.4
577V36.4Very low39.5Very low128 Ų128138.2 Ų138.278%0.77676%0.764SS**  trans-130.9125.7156.6178.90000106.6R575R575-V577 PolarHBondContact O-N 3.23Å
578S32.4Very low39.3Very low102 Ų102140 Ų14071%0.71377%0.768SS**PPolyproline II helixtrans-73130.9177.7-54.10000110.3
579I34.2Very low38.4Very low165 Ų165139.8 Ų139.885%0.84677%0.768SS**PPolyproline II helixtrans-96.9121.7166.2-57.8177.4000107.1
580S38.9Very low37.8Very low103 Ų103141.9 Ų141.972%0.7278%0.777SS**PPolyproline II helixtrans-96136170.7-60.60000109.3S582S580-S582 PolarHBondContact O-N 3.34Å
581D31.1Very low37.4Very low157 Ų157144.3 Ų144.384%0.8479%0.785SS**PPolyproline II helixtrans-63.9130.3172.2-63-65.5000111.1
582S38.9Very low36.9Very low113 Ų113145 Ų14579%0.7979%0.79SS**  trans-158.8124.7165.2-780000110.6S580S580-S582 PolarHBondContact O-N 3.34Å
583F34.3Very low36.9Very low212 Ų212141.1 Ų141.193%0.9379%0.794SS**  trans-86.5126.2175.3-67.7-106.4000110.4
584S38.8Very low36.7Very low123 Ų123140.2 Ų140.286%0.8679%0.791SS**  trans-162.2156.2153.352.80000112
585N34.5Very low36.7Very low163 Ų163137.8 Ų137.887%0.87279%0.79SS**  trans-84.4152.1-168.9-91.9-29.2000114.7
586A39.1Very low36.6Very low81 Ų81135.2 Ų135.267%0.66979%0.791SS**  trans62.2120.2138.700000121.9
587N37.7Very low36.8Very low133 Ų133133.1 Ų133.171%0.71178%0.783SS**  trans62.7113.4132-65.5-14000121.4
588Q38.9Very low37Very low171 Ų171132.4 Ų132.480%0.79978%0.784SS**  trans65.1148.3130.8-63.7-178.470.600118.7
589L34.5Very low37.1Very low145 Ų145135.2 Ų135.276%0.75978%0.783SS**  cis-173.4162.7-20.4-172.771.3000105.1
590I41Very low37.2Very low144 Ų144135.1 Ų135.174%0.73878%0.777SS**  trans81.2117.7167-45.7-176.6000117.1
591D40.5Very low37.2Very low149 Ų149135.6 Ų135.680%0.79777%0.771SS**  trans11.1137.3158.1-55.5-46.1000124
592P37.8Very low37.5Very low134 Ų134134.2 Ų134.287%0.8776%0.764SS**  trans-90.6141.9158.936.1-30.3000112.5
593G37.6Very low37.4Very low76 Ų76135 Ų13578%0.78476%0.758SS**  trans-14193.7179.800000114.4
594D36.7Very low37.6Very low157 Ų157132.6 Ų132.684%0.8475%0.749SS**  trans38.7112.4150.4-71.1-21.6000122.6
595S38.9Very low37.5Very low96 Ų96133.8 Ų133.867%0.67174%0.741SS**  108.7142.6115.880.70000121.1
596N36.4Very low37.4Very low148 Ų148131.2 Ų131.279%0.79173%0.731SS**  trans66.7160.9154.9-58.7-47000118.9
597S33.8Very low37.5Very low96 Ų96133.5 Ų133.567%0.67174%0.737SS**  cis-166166.5-4462.50000108.3
598S40.5Very low37.6Very low112 Ų112134.2 Ų134.278%0.78374%0.741SS**  trans60.3138-175.4690000115.4
599K35.2Very low37.5Very low162 Ų162131.9 Ų131.970%0.70474%0.738SS**  cis81.796.329.7-170.1-165.2177.3-176.60113.9
600F36.6Very low38.2Very low163 Ų163132.8 Ų132.872%0.71574%0.743SS**  -173.2134.9116.4-107.3-73.3000113.6
601D39.4Very low38.3Very low112 Ų112132.8 Ų132.860%0.59974%0.744SS**  trans-18.8141.4163.8-33.1-30.2000117.4
602N36.9Very low38.6Very low128 Ų128133.1 Ų133.168%0.68474%0.741SS**  -178.9137.371.7-97.2-54.9000115.9
603I36.4Very low39.4Very low130 Ų130131.8 Ų131.867%0.66773%0.733SS**  69.6133129.6-65.8171.2000122.4
604H38.2Very low40.6Very low161 Ų161134.3 Ų134.375%0.74574%0.735SS**  trans65.4145.4166.7-71.6-51.2000117.8
605H36.7Very low41.2Very low148 Ų148133.2 Ų133.269%0.68573%0.734SS**  cis-141.7144.16.2-130.9-69.6000113.2
606T32.8Very low41.3Very low110 Ų110133 Ų13368%0.67574%0.738SS**  trans-11.2132.8162.753.30000121.5
607T41.4Very low41.6Very low129 Ų129131.4 Ų131.479%0.79174%0.738SS**  -159.7122.5124.525.40000111.8
608D39.6Very low42.2Very low148 Ų148132.3 Ų132.379%0.79174%0.742SS**  trans18.5150.6131.6-56.6-45.5000121.4
609V37.6Very low42.2Very low122 Ų122131.5 Ų131.574%0.73974%0.742SS**  cis179.1117.1-23.6130.70000103.6
610L49Very low42.5Very low164 Ų164133.9 Ų133.986%0.85975%0.748SS**  trans-176.1145.9168.1-126.272.4000106.3
611D43.2Very low42.9Very low144 Ų144130 Ų13077%0.7774%0.741SS**  cis-144.2156.3-2.9-155.9-11.4000109.2
612E46.2Very low42.9Very low155 Ų155132.6 Ų132.672%0.72476%0.755SS**PPolyproline II helixtrans-94.6130.9-171.5-169-17813100113P614E612-P614 WeakPolarHBondContact O-CD 3.4Å
613P53.3Low43.3Very low107 Ų107133.6 Ų133.670%0.69576%0.759SS**PPolyproline II helixtrans-76.5119.8178.429.9-33.5000111.9T615P613-T615 PolarHBondContact O-N 3.11Å
614P63.4Low43.5Very low128 Ų128132.8 Ų132.883%0.83177%0.765SS**PPolyproline II helixtrans-64.9123.8-176.723.9-32.9000112.6E612E612-P614 WeakPolarHBondContact O-CD 3.4Å
615T49Very low44.2Very low135 Ų135132.2 Ų132.283%0.82877%0.768SS**PPolyproline II helixtrans-57.6153-177.336.50000114.8P613P613-T615 PolarHBondContact O-N 3.11Å
616A42.4Very low44.5Very low91 Ų91132.4 Ų132.475%0.75277%0.774SS**  trans-104.8135.6-172.900000114.4
617S41.2Very low45Very low114 Ų114130.7 Ų130.780%0.79778%0.777SS**  trans71.6153.3170.8-43.60000115.3
618P47.3Very low45.1Very low116 Ų116130 Ų13075%0.75377%0.773SS**  -124.2146.875.837.1-31.1000114.2
619A39.6Very low44.8Very low94 Ų94129.3 Ų129.378%0.77777%0.774SS**  trans-88.1137166.700000110.6
620Y43.3Very low44.7Very low212 Ų212128.9 Ų128.983%0.83178%0.776SS**  trans-136.7149.7169-99.8-109.2000107.8
621S44.2Very low43.9Very low82 Ų82125.7 Ų125.757%0.57377%0.768SS**  cis-161.6128.4-27.7-98.50000106.1I623S621-I623 PolarHBondContact O-N 2.99Å
622D39.5Very low43.5Very low167 Ų167125 Ų12589%0.89377%0.769SS**  trans-70.6118.8177.1-118.5-33000109.3
623I44.2Very low43Very low149 Ų149124 Ų12476%0.76477%0.773SS**  trans-122.191.4170.2-67.4175.5000107.8S621S621-I623 PolarHBondContact O-N 2.99Å
624S40.8Very low41.9Very low113 Ų113125.6 Ų125.679%0.7978%0.776SS**  trans-96.4112.3156.356.30000107.7
625D54.2Low40.5Very low149 Ų149127.1 Ų127.180%0.79778%0.777SS**  trans-110.4120.9175.8-168.213000109.6G627D625-G627 PolarHBondContact O-N 3.01Å
626D41.8Very low39.6Very low152 Ų152129.9 Ų129.981%0.81378%0.778SS**  trans-104.368.4-167.6-144.8-12.5000109.6T628D626-T628 PolarHBondContact O-N 3.16Å; D626-T628 VanDerWaalsContact O-N 3.14Å
627G44.7Very low39.4Very low73 Ų73131.6 Ų131.675%0.75378%0.782SS**  trans-74.695.2-170.600000114D625D625-G627 PolarHBondContact O-N 3.01Å
628T42.7Very low39.1Very low116 Ų116131.6 Ų131.671%0.71278%0.777SS**  trans-79.3137.2-174.256.40000115.5D626D626-T628 PolarHBondContact O-N 3.16Å; D626-T628 VanDerWaalsContact O-N 3.14Å
629V33.8Very low38.5Very low132 Ų132134.4 Ų134.480%0.878%0.784SS**  trans42.3123.5154.9-58.60000121.3
630S34.7Very low38.1Very low113 Ų113136.1 Ų136.179%0.7978%0.78SS**  -166.5114.9117.4-82.70000113.8
631S32.4Very low37.6Very low97 Ų97134.1 Ų134.168%0.67878%0.782SS**  trans9.9144.1145.354.90000122.7
632T35.2Very low37.1Very low130 Ų130133.1 Ų133.180%0.79879%0.786SS**  trans61.9128.8150.653.10000117.1
633T35.6Very low36.9Very low133 Ų133134.3 Ų134.382%0.81679%0.788SS**  cis-148178.335.946.80000113.5
634N30.4Very low36.4Very low141 Ų141131.7 Ų131.775%0.75479%0.788SS**  trans-63.1148.5171.8-54.9-40.2000112.9
635N33Very low36.1Very low160 Ų160130.4 Ų130.486%0.85678%0.784SS**  -178.9132.6116.3-88.6-23.8000112.1
636F29.9Very low35.1Very low194 Ų194130.4 Ų130.485%0.85178%0.783SS**  trans-93.3142.4172-74-95.4000111V638F636-V638 HydrophobicContact CB-CG2 4.38Å
637P38.1Very low34.5Very low127 Ų127129.6 Ų129.683%0.82578%0.779SS**  trans-89.2118.8155.532.5-27.1000110.3
638V35.3Very low33.8Very low114 Ų114131.1 Ų131.169%0.69177%0.773SS**  trans-120.7128.2170.5174.90000109.3F636F636-V638 HydrophobicContact CB-CG2 4.38Å
639L34.1Very low33.4Very low174 Ų174133.3 Ų133.391%0.91178%0.775SS**  trans-132.1106.6162.8-67.2174.4000106.1
640N32.5Very low33.3Very low130 Ų130134.1 Ų134.170%0.69578%0.775SS**  cis96.1163.340.1-165.526.5000112.2
641I33.4Very low33.2Very low170 Ų170132.8 Ų132.887%0.87277%0.766SS**  trans85.9108.3-153.5-54158.6000109.4
642G33.8Very low33.3Very low62 Ų62138.1 Ų138.164%0.63977%0.771SS**  cis126.6147.9800000110.1
643M34Very low33.3Very low192 Ų192138.5 Ų138.595%0.94676%0.764SS**  cis-163.8167.91.3-71.7-170.1-6600107.7
644A33.9Very low33Very low93 Ų93138.2 Ų138.277%0.76976%0.762SS**  cis-172.7174.1-2600000109.4
645A34.3Very low33.2Very low86 Ų86138.3 Ų138.371%0.71176%0.761SS**  trans69.7147167.700000119.7
646I32.4Very low33.2Very low149 Ų149137.5 Ų137.576%0.76476%0.756SS**  cis92.9122.518.7-61.8168.8000113.3
647D30.9Very low33.4Very low135 Ų135135 Ų13572%0.72275%0.752SS**  cis-168.8153.9-5-1214.3000117.3
648V29.9Very low33.2Very low105 Ų105133.3 Ų133.364%0.63674%0.743SS**  trans73.1153.5132162.70000124.9
649Q34.5Very low33.1Very low163 Ų163133 Ų13376%0.76275%0.746SS**  trans79.5115.5165.3-88.6161.961.100118.5
650N30.8Very low33.2Very low148 Ų148130.2 Ų130.279%0.79174%0.741SS**  83.6144.791.6-86.3-1.5000114.3
651S33.6Very low33.2Very low86 Ų86130 Ų13060%0.60174%0.744SS**  cis-175.5152.9-8.253.30000111.7
652R34.2Very low33.2Very low209 Ų209129.4 Ų129.479%0.78974%0.741SS**  trans67.2159.5159.5-65175.2133.5135.1-0.5117.1
653E34.4Very low33.2Very low138 Ų138130.5 Ų130.565%0.64574%0.74SS**  cis-158.8132-16.5-110.3161.6-172.200111.5
654T30.2Very low33Very low127 Ų127128.3 Ų128.378%0.77973%0.732SS**  trans64.2155134.6-340000124.1
655I33.6Very low32.9Very low143 Ų143131.3 Ų131.373%0.73373%0.734SS**  trans107.689.7154.4-52.1-176.4000119.7
656L33.6Very low32.8Very low143 Ų143131.3 Ų131.375%0.74973%0.729SS**  57.6146.5127-59.5178.9000125.8
657N33.3Very low32.9Very low142 Ų142131 Ų13176%0.75973%0.729SS**  trans74.7149.4149.8-66-9.3000120.7
658S34Very low32.9Very low91 Ų91133.7 Ų133.764%0.63674%0.737SS**  cis-173.1142.8-23.354.60000113.2
659S34.7Very low33.3Very low108 Ų108134 Ų13476%0.75574%0.741SS**  trans73.2147.3144.7-58.30000124.3
660S35.8Very low33.3Very low114 Ų114131.3 Ų131.380%0.79774%0.74SS**  trans81.8151.7144.9720000121.3
661V32.1Very low33.3Very low127 Ų127132.1 Ų132.177%0.7774%0.743SS**  cis-171.5168.4-39.3110.40000110.2
662L33.2Very low33.4Very low156 Ų156133 Ų13382%0.81775%0.747SS**  trans77.3156.4176.5-55.7-173.8000118.6
663S33.5Very low33.2Very low86 Ų86132.9 Ų132.960%0.60176%0.755SS**  cis-172141.6-3160.50000114.6
664N29.4Very low32.9Very low145 Ų145129.6 Ų129.678%0.77576%0.758SS**  trans60.7145.6135.7-73.3-12000125.6
665L31.9Very low32.7Very low157 Ų157134 Ų13482%0.82276%0.762SS**  trans71.4150.5155.4-95.465.7000117.5
666S33.2Very low32.6Very low85 Ų85133.8 Ų133.859%0.59476%0.761SS**  cis-154.3158.98.8-145.70000115.6
667N34.1Very low32.2Very low144 Ų144132.2 Ų132.277%0.7775%0.753SS**  trans53101.3148.1-66.1-9.9000124.1
668Q31.8Very low32.1Very low190 Ų190129.8 Ų129.889%0.88874%0.743SS**  56.1156.1119-86.9-148.18.200125.1
669P36.4Very low31.7Very low111 Ų111130 Ų13072%0.72175%0.745SS**  trans-116.5167.8-17643.4-32.3000116.2
670S34.5Very low31.5Very low107 Ų107134.8 Ų134.875%0.74875%0.747SS**  trans-147.9115.6158.750.10000108.3
671I32.2Very low30.9Very low165 Ų165140.3 Ų140.385%0.84675%0.75SS**  92.3136.282.6-81171.3000112.2
672P35.5Very low30.9Very low106 Ų106141.5 Ų141.569%0.68875%0.751SS**  trans-116.4162-158.841.4-30.6000114.9
673Q30.1Very low30.5Very low205 Ų205140 Ų14096%0.95874%0.744SS**  trans-167.6146.3145.3-106146.10.600111.2
674G28.5Very low30.2Very low69 Ų69142.8 Ų142.871%0.71175%0.751SS**  trans175.130.3-17400000115I676G674-I676 PolarHBondContact O-N 3Å
675Y25.9Very low30.2Very low220 Ų220141.9 Ų141.986%0.86376%0.757SS**  trans-80.1110.5174-164.7-84.6000108.7D677Y675-D677 HydrophobicContact CE1-CB 4.38Å
676I30.1Very low30.2Very low138 Ų138139.9 Ų139.971%0.70875%0.753SS**  trans-126.694174.7-40.9-177.2000109.4G674 V678G674-I676 PolarHBondContact O-N 3Å; I676-V678 HydrophobicContact CB-CG2 4.34Å; I676-V678 HydrophobicContact CG2-CG2 3.44Å; I676-V678 VanDerWaalsContact CG2-CG2 3.44Å; I676-V678 PolarHBondContact O-N 3.45Å
677D25.6Very low30.1Very low111 Ų111143.7 Ų143.759%0.59477%0.766SS**  trans-64118.7155175.7-5.8000107.9Y675 S679Y675-D677 HydrophobicContact CE1-CB 4.38Å; D677-S679 WeakPolarHBondContact OD1-CB 3.37Å; D677-S679 PolarHBondContact OD1-N 3.5Å; D677-S679 PolarHBondContact OD1-OG 2.96Å
678V32Very low30.1Very low90 Ų90143.3 Ų143.355%0.54576%0.762SS.*  trans-116.764.9170.3-166.80000109.5I676 R680I676-V678 HydrophobicContact CB-CG2 4.34Å; I676-V678 HydrophobicContact CG2-CG2 3.44Å; I676-V678 VanDerWaalsContact CG2-CG2 3.44Å; I676-V678 PolarHBondContact O-N 3.45Å; V678-R680 HydrophobicContact CG1-CB 4.22Å; V678-R680 HydrophobicContact CG1-CG 3.76Å; V678-R680 PolarHBondContact O-N 3.05Å
679S24.1Very low30Very low97 Ų97141.7 Ų141.768%0.67876%0.759SS**  trans-6271.7161.3-68.80000111.8D677D677-S679 WeakPolarHBondContact OD1-CB 3.37Å; D677-S679 PolarHBondContact OD1-N 3.5Å; D677-S679 PolarHBondContact OD1-OG 2.96Å
680R30.5Very low29.7Very low208 Ų208141.1 Ų141.179%0.78576%0.757SS**  trans-118.2113.3164.8-60.5-179.4-171.3-169.23.4105.7V678V678-R680 HydrophobicContact CG1-CB 4.22Å; V678-R680 HydrophobicContact CG1-CG 3.76Å; V678-R680 PolarHBondContact O-N 3.05Å
681R24.6Very low29.6Very low230 Ų230141.4 Ų141.487%0.86876%0.759SS**  5314659.5-69.1-172.1148.9-168-6.3112.4
682L31.1Very low29.3Very low151 Ų151139.4 Ų139.479%0.79176%0.759SS**  trans73.8143.7-170.6-44.4175.8000113.6
683N26.2Very low29.2Very low125 Ų125140.4 Ų140.467%0.66877%0.768SS**  cis-164.9156.1-37.6-115.2-5.1000109.7
684L26.7Very low29.1Very low145 Ų145136.9 Ų136.976%0.75976%0.761SS**  trans33.7106.8144.2-57.3168.6000119.9
685S28Very low29.3Very low126 Ų126140.9 Ų140.988%0.88177%0.771SS**  trans-167.3103.9132.66.20000111.3
686P33Very low29.5Very low115 Ų115136.9 Ų136.975%0.74777%0.77SS**  trans-114140.2-176.937.7-28.6000114.7
687L32.1Very low29.5Very low164 Ų164133.8 Ų133.886%0.85977%0.772SS**  trans-152.3131.3165.6-72.4-178.6000107.7
688I32.8Very low29.9Very low137 Ų137134.7 Ų134.770%0.70379%0.787SS**SBendcis-142.2131.12.9-91.7148.2000109.6
689L29.2Very low29.7Very low156 Ų156136 Ų13682%0.81780%0.8SS**  trans29.3145.8154.5-68.992.3000122.2
690S30.1Very low30.1Very low98 Ų98140 Ų14069%0.68581%0.808SS**  cis-151.9169.111.9-154.30000114.3
691S32.8Very low30.2Very low113 Ų113135.5 Ų135.579%0.7981%0.808SS**  trans71.3108.7165.5-54.30000117.5
692C27.2Very low30.6Very low123 Ų123130.2 Ų130.283%0.83180%0.802SS**  trans-110.3153.8-171.2-59.80000114.1
693S32.4Very low30.8Very low128 Ų128131.9 Ų131.990%0.89580%0.803SS**  trans-167.7116.9139.1-82.90000109.9
694T28.4Very low31.1Very low130 Ų130132.5 Ų132.580%0.79881%0.805SS**  trans-123.5134.2-177.550.10000111.4
695V33.4Very low31.4Very low153 Ų153135.8 Ų135.893%0.92781%0.809SS**  trans-121.3132.7165.7-1800000108.2
696T29.1Very low31.6Very low136 Ų136137.7 Ų137.783%0.83480%0.802SS**  trans-102138.5-175.652.10000111.6
697G30Very low31.7Very low74 Ų74136.3 Ų136.376%0.76379%0.793SS**  trans-168.1129.3172.300000114.9
698S33.6Very low31.6Very low129 Ų129132.6 Ų132.690%0.90279%0.786SS**  trans59.6137.8167.5-150.90000119.3
699S29Very low31.8Very low117 Ų117131.7 Ų131.782%0.81878%0.782SS**  trans-121123.5176.356.70000110.4
700E31.7Very low32.1Very low183 Ų183130.1 Ų130.186%0.85577%0.774SS**  trans-139.3143.7173.4-160.9166-138.100110.6T702E700-T702 PolarHBondContact O-N 2.92Å; E700-T702 VanDerWaalsContact O-N 3.14Å
701S32Very low32.3Very low112 Ų112134.1 Ų134.178%0.78378%0.78SS**  trans-90.976.8-161.650.10000113.7K703S701-K703 PolarHBondContact O-N 2.92Å
702T34.2Very low32.3Very low120 Ų120133.4 Ų133.474%0.73677%0.774SS**  trans-62.3103.8179.8-42.80000112.7E700 L704E700-T702 PolarHBondContact O-N 2.92Å; E700-T702 VanDerWaalsContact O-N 3.14Å; T702-L704 PolarHBondContact O-N 2.83Å
703K34.7Very low32.6Very low186 Ų186133.8 Ų133.881%0.80978%0.776SS**  trans-67.6112.4172.6-68177-178.9173.20110.3S701 Y705S701-K703 PolarHBondContact O-N 2.92Å; K703-Y705 PolarHBondContact O-N 2.72Å
704L33.3Very low32.6Very low137 Ų137133.5 Ų133.572%0.71777%0.768SS**  trans-71.799.2179.1-65.2177.3000111.7T702 F706T702-L704 PolarHBondContact O-N 2.83Å; L704-F706 HydrophobicContact CB-CD2 4.34Å; L704-F706 HydrophobicContact CB-CE2 3.82Å; L704-F706 HydrophobicContact CB-CZ 4.44Å; L704-F706 HydrophobicContact CD1-CE2 4.2Å; L704-F706 HydrophobicContact CD1-CZ 4.4Å
705Y32.8Very low33Very low214 Ų214135.7 Ų135.784%0.83978%0.775SS**  trans-85106.9171.6-119.8-97.1000110.5K703K703-Y705 PolarHBondContact O-N 2.72Å
706F32.5Very low32.9Very low166 Ų166138.6 Ų138.673%0.72878%0.775SS**  trans-96.5118.7172-70.4-75.3000110.4L704 A708L704-F706 HydrophobicContact CB-CD2 4.34Å; L704-F706 HydrophobicContact CB-CE2 3.82Å; L704-F706 HydrophobicContact CB-CZ 4.44Å; L704-F706 HydrophobicContact CD1-CE2 4.2Å; L704-F706 HydrophobicContact CD1-CZ 4.4Å; F706-A708 PolarHBondContact O-N 3.27Å
707P35.6Very low32.9Very low87 Ų87135.5 Ų135.557%0.56577%0.769SS**  trans-73.389.4176.329.4-33.8000110.8N709P707-N709 PolarHBondContact O-N 2.9Å; P707-N709 VanDerWaalsContact O-N 3.1Å
708A29.4Very low33.1Very low86 Ų86138.9 Ų138.971%0.71178%0.775SS**  trans-76.489.9172.300000110.7F706F706-A708 PolarHBondContact O-N 3.27Å
709N36.5Very low33Very low117 Ų117139.4 Ų139.463%0.62677%0.768SS**  trans-170.7114.3155-99.2-34000113M266 P707M266-N709 WeakPolarHBondContact CE-O 3.39Å; P707-N709 PolarHBondContact O-N 2.9Å; P707-N709 VanDerWaalsContact O-N 3.1Å
710L36.6Very low33Very low123 Ų123140.5 Ų140.564%0.64477%0.765SS**  trans-154.284.5145.6-93.6-157.4000109.3M266M266-L710 HydrophobicContact CB-CD1 3.64Å; M266-L710 HydrophobicContact CB-CD2 3.99Å; M266-L710 HydrophobicContact CB-CG 3.98Å; M266-L710 HydrophobicContact CE-CD2 3.96Å; M266-L710 HydrophobicContact CE-CG 4.11Å; M266-L710 HydrophobicContact SD-CD2 4.34Å
711F34.1Very low33.1Very low183 Ų183139.1 Ų139.180%0.80376%0.761SS**  trans-78.5141.1158.5-75.1-89000109.2
712S31Very low33.2Very low97 Ų97142.7 Ų142.768%0.67876%0.763SS**  trans-66.8134.1170.6-54.60000110.3T714S712-T714 VanDerWaalsContact C-N 3.3Å; S712-T714 PolarHBondContact O-N 3.25Å
713P33.6Very low33.1Very low132 Ų132146.5 Ų146.586%0.85777%0.765SS**SBendtrans-80.870.5-17432.8-36.6000112.3
714T34.3Very low32.9Very low121 Ų121146.6 Ų146.674%0.74277%0.769SS**  trans-12823.7-178.144.50000115.1S712S712-T714 VanDerWaalsContact C-N 3.3Å; S712-T714 PolarHBondContact O-N 3.25Å
715L36.6Very low33Very low177 Ų177146.2 Ų146.293%0.92777%0.772SS**  trans-120.2113.5162.5-73.8177000111
716K31.2Very low33Very low214 Ų214140.8 Ų140.893%0.9377%0.772SS**  trans-83.9130.7168.9-70.7178.5177.5175.80109.3
717G28.9Very low33Very low70 Ų70137.7 Ų137.772%0.72277%0.771SS**  trans100.363.1158.300000116.9
718V34Very low33.2Very low146 Ų146139.3 Ų139.389%0.88578%0.781SS**  trans-132.8125.8139.9-1680000107.1
719N30.8Very low33.3Very low139 Ų139141.6 Ų141.674%0.74379%0.786SS**  trans-92.7153.5176.5-72.2-16.8000110.5
720N29.9Very low33.2Very low141 Ų141142.2 Ų142.275%0.75479%0.794SS**  trans56.3113.2160-57.4-3.8000118
721I33.1Very low33.1Very low154 Ų154145.7 Ų145.779%0.7980%0.804SS**  -153.3138.2126.7-100.2146.3000107.7Y723I721-Y723 HydrophobicContact CG2-CE2 4.33Å
722F33.4Very low33.1Very low187 Ų187141.2 Ų141.282%0.8280%0.795SS**  trans-76.1146.5-177.6-72.9-110.6000111.4
723Y32.6Very low33.3Very low199 Ų199144.9 Ų144.978%0.7880%0.804SS**  trans-124.6100.3154.2-86.5-77000109.7I721 T725I721-Y723 HydrophobicContact CG2-CE2 4.33Å; Y723-T725 PolarHBondContact O-N 2.99Å
724Q31.3Very low33.4Very low188 Ų188145.2 Ų145.288%0.87980%0.799SS**  trans-80.9107.3173.4-174.4175.311.800108.3A726Q724-A726 PolarHBondContact O-N 2.86Å
725T34.9Very low33.5Very low130 Ų130148.3 Ų148.380%0.79880%0.802SS**PPolyproline II helixtrans-71.1116.7172.645.40000109.5Y723 S727Y723-T725 PolarHBondContact O-N 2.99Å; T725-S727 PolarHBondContact O-N 3.5Å
726A33.7Very low33.3Very low100 Ų100148.9 Ų148.983%0.82680%0.8SS**PPolyproline II helixtrans-71.4116.817600000110.6Q724Q724-A726 PolarHBondContact O-N 2.86Å
727S32.3Very low33.3Very low101 Ų101144.8 Ų144.871%0.70680%0.798SS**PPolyproline II helixtrans-65.1147.1169.7-57.40000110.9T725 T729T725-S727 PolarHBondContact O-N 3.5Å; S727-T729 PolarHBondContact O-N 3.05Å
728P38.3Very low33.6Very low120 Ų120145.8 Ų145.878%0.77980%0.799SS**PPolyproline II helixtrans-64.6127.2174.727.5-34000110.4V730P728-V730 PolarHBondContact O-N 2.76Å
729T32.6Very low33.9Very low134 Ų134148 Ų14882%0.82280%0.8SS**  trans-73.690.9-178.5-40.80000111S727 K731S727-T729 PolarHBondContact O-N 3.05Å; T729-K731 PolarHBondContact O-N 2.87Å
730V34.6Very low34.1Very low131 Ų131149.8 Ų149.879%0.79481%0.81SS**  trans-64120.9163.5179.50000107.7P728 S732P728-V730 PolarHBondContact O-N 2.76Å; V730-S732 PolarHBondContact O-N 3.21Å
731K34Very low34.5Very low195 Ų195146.2 Ų146.285%0.84881%0.806SS**  trans-76.2102.8174.2-65.7-178.9178.9-178.60108.9T729T729-K731 PolarHBondContact O-N 2.87Å
732S34.2Very low34.7Very low89 Ų89146.7 Ų146.762%0.62281%0.809SS**  trans-65.2147.1156.663.80000108.7V730 D734V730-S732 PolarHBondContact O-N 3.21Å; S732-D734 WeakPolarHBondContact CB-OD2 3.34Å; S732-D734 PolarHBondContact OG-OD2 2.92Å
733M34.6Very low34.9Very low175 Ų175145.4 Ų145.486%0.86280%0.803SS**  trans-115.666.8178.8-172.6166.558.200108.9K735M733-K735 PolarHBondContact O-N 3.25Å
734D35.2Very low35.2Very low139 Ų139143.1 Ų143.174%0.74380%0.8SS**  trans-71.5107.8-178.2-67.1-71.2000111S732S732-D734 WeakPolarHBondContact CB-OD2 3.34Å; S732-D734 PolarHBondContact OG-OD2 2.92Å
735K36.6Very low35.3Very low186 Ų186140.2 Ų140.281%0.80979%0.79SS**  trans-92.8103.7168.6-81.9-172.7172.2-1750110.1M733M733-K735 PolarHBondContact O-N 3.25Å
736Q33.1Very low35.4Very low188 Ų188144 Ų14488%0.87979%0.79SS**  trans-160.3154.8156.9-116.7162.382.100111.7
737S32.3Very low35.6Very low128 Ų128145.1 Ų145.190%0.89578%0.782SS**  trans83.2139.4-160.6-51.60000113.9
738A35Very low35.9Very low91 Ų91146 Ų14675%0.75278%0.779SS**  cis-139.3-166.14.800000112.4
739E39.1Very low35.8Very low194 Ų194146.9 Ų146.991%0.90778%0.777SS**  trans74.491.4170.9-53.3-161.5147.500117.5
740N35.4Very low36Very low176 Ų176146 Ų14694%0.94178%0.777SS**  trans-141.7127.7152.1-115.7-27.6000107.8
741G37.8Very low36.3Very low65 Ų65145.7 Ų145.767%0.6778%0.777SS**  trans-111.1133.6-174.200000113.4
742L37.2Very low36.4Very low164 Ų164142.5 Ų142.586%0.85977%0.774SS**  trans49.5119.1144-64.3164.5000117.1
743K38.6Very low36.6Very low160 Ų160144.9 Ų144.970%0.69678%0.78SS**  cis-172.2148.241.7-116.8165-175.8178.30112.8
744Q38.6Very low36.5Very low151 Ų151147.3 Ų147.371%0.70678%0.781SS**  trans57.9114139.7-72.8173-18.500119.8
745N33.8Very low37Very low128 Ų128145.5 Ų145.568%0.68478%0.777SS**  76.9142.597.2-77.5-22000115.1
746R36.7Very low36.8Very low209 Ų209144.7 Ų144.779%0.78977%0.774SS**  cis-157.7134.110.8-130.7170.6-177.2-176.31.1112.7
747N37.9Very low36.9Very low124 Ų124142.3 Ų142.366%0.66376%0.763SS**  trans68.1139.1131.4-81.147.9000126
748N38.6Very low37Very low120 Ų120143.3 Ų143.364%0.64275%0.751SS**  trans96.294.5137.4-697.9000122.4
749N36.7Very low37.1Very low137 Ų137145.8 Ų145.873%0.73375%0.747SS**  86.2126.7112.6-64.1-1.2000123.6
750S36.5Very low37Very low117 Ų117141.9 Ų141.982%0.81874%0.741SS**  trans96.2115.8140.4-620000120.1
751P40.4Very low37Very low123 Ų123139 Ų13980%0.79973%0.732SS**  trans-110.7154.4170.739.3-30.9000114.2
752T37.3Very low36.6Very low128 Ų128141.4 Ų141.479%0.78574%0.738SS**  trans-160.2153.6160.81.80000114
753N37.7Very low36.5Very low139 Ų139145 Ų14574%0.74374%0.741SS**  trans59.3105.2163.3-59.3-20.7000117.9
754Y33Very low36.1Very low226 Ų226142.7 Ų142.789%0.88674%0.744SS**  58.3148.274.9-78.3-48.5000115.9
755P45.1Very low35.9Very low101 Ų101142.2 Ų142.266%0.65675%0.746SS**  trans-121.1-172.5-136.841.4-26.5000113.1
756F32.8Very low35.9Very low170 Ų170142.8 Ų142.875%0.74675%0.747SS**  -167.1140.3122.6-122.8-122.3000113.4
757Q34.3Very low35.9Very low138 Ų138138 Ų13865%0.64574%0.742SS**  trans40.8147.9144.8-74.1-168.8800125.6
758K35.1Very low36Very low149 Ų149137.7 Ų137.765%0.64874%0.74SS**  trans95.1129.4138.1-88.7165.7168.7-89.80121.1
759E36.5Very low36.1Very low142 Ų142137.3 Ų137.366%0.66474%0.738SS**  trans63.889.8138.1-72.7158.4-150.100120.3
760S36.9Very low36.3Very low113 Ų113136.9 Ų136.979%0.7974%0.736SS**  154.3153.692.4-76.10000113.5
761P35.8Very low36.5Very low116 Ų116136.9 Ų136.975%0.75373%0.727SS**  trans-94.4157.9-177.437.4-35.7000114.7
762S30.4Very low36.7Very low114 Ų114137.7 Ų137.780%0.79772%0.719SS**  trans42.595143-55.70000119.7
763R34Very low36.8Very low241 Ų241137.8 Ų137.891%0.90972%0.715SS**  trans-159.5124139.6-113.6157.9-169.5-119.4-0.6114
764S30.4Very low37Very low111 Ų111136.1 Ų136.178%0.77671%0.714SS**  trans-89.9128.7169.652.80000111
765L33.5Very low37.3Very low140 Ų140129.9 Ų129.973%0.73370%0.704SS**  trans-152.4138.5166.2-78-177.2000111
766I34Very low36.7Very low140 Ų140130.6 Ų130.672%0.71871%0.71SS**  trans60.4129.9137.3-66.5170.2000117.5
767T38.1Very low36.9Very low110 Ų110127.3 Ų127.368%0.67571%0.708SS**  cis-162.8-176.7-5.331.60000106.3
768N38.8Very low36.9Very low117 Ų117125.5 Ų125.563%0.62671%0.711SS**  cis-164154.924.2-138.3-0.9000114.2
769N40.2Very low36.9Very low112 Ų112125.9 Ų125.960%0.59972%0.72SS**  trans63.2123.6146.6-70-12.2000124.4
770N40.7Very low37.1Very low128 Ų128124.8 Ų124.868%0.68473%0.725SS**  trans68.7132.9140.5-52.5-11.8000118.3
771N41.7Very low37.1Very low117 Ų117124.9 Ų124.963%0.62673%0.725SS**  cis-167173.5-7.9-111.8-21000108
772H43.9Very low37.1Very low139 Ų139125.3 Ų125.364%0.64473%0.726SS**  cis-154.8-179.38.4-125.3-41.1000110.3
773N40.2Very low37.2Very low131 Ų131126.9 Ų126.970%0.70172%0.724SS**  trans4.2144.5144.1-56.48.6000119.2
774S41.1Very low37.2Very low104 Ų104122.4 Ų122.473%0.72771%0.714SS**  cis178.51582.242.50000108.7
775S39.2Very low37.4Very low95 Ų95123.1 Ų123.166%0.66471%0.708SS**  cis-178.1156.1-11.849.40000109.2
776C33.8Very low37.4Very low116 Ų116123.3 Ų123.378%0.78471%0.709SS**  trans46.5151.1151.262.90000121.9
777S36.1Very low37.4Very low101 Ų101121.9 Ų121.971%0.70671%0.712SS**  cis-168.2154.1-9.940.30000111.7
778S34.3Very low37.2Very low100 Ų100121.2 Ų121.270%0.69971%0.712SS**  trans21.2118.5143.6-38.20000121.1
779N34.9Very low37.2Very low157 Ų157120.1 Ų120.184%0.8471%0.713SS**  161.9144.6109.8-82.3-19.7000113.4
780P41.9Very low37.1Very low119 Ų119122.6 Ų122.677%0.77372%0.721SS**  trans-104.2134171.936.5-29.5000113.6
781S36.8Very low36.9Very low114 Ų114121.6 Ų121.680%0.79772%0.724SS**  trans-168.1118.9165.4-84.50000108.6
782V34.9Very low36.8Very low126 Ų126121.4 Ų121.476%0.76473%0.732SS**  94.2108.178.9164.20000113
783L31.8Very low36.7Very low146 Ų146119.9 Ų119.976%0.76474%0.737SS**  trans71.9146.6148.6-77.1173.4000124.4
784H34.5Very low36.7Very low148 Ų148117.7 Ų117.769%0.68573%0.732SS**  trans88.9139145.4-97.1-76.8000122.5
785D34.6Very low36.6Very low125 Ų125119.8 Ų119.867%0.66874%0.735SS**  trans62.5146.5158.9-61.2-14.5000119.9
786L33.1Very low36.7Very low144 Ų144120.4 Ų120.475%0.75474%0.739SS**  cis164.4156.8-27.2-109.1177.1000104.2
787S35.1Very low36.9Very low111 Ų111119 Ų11978%0.77674%0.736SS**  trans73.5152.9173.5-41.60000116.6
788S34.3Very low37Very low95 Ų95119.1 Ų119.166%0.66474%0.737SS**  cis-173.1170.7-30.758.80000108.6
789S38.2Very low37.2Very low94 Ų94121.2 Ų121.266%0.65774%0.74SS**  trans73.1155.3161.2-35.90000116
790Q37.8Very low37.4Very low165 Ų165120.8 Ų120.877%0.77174%0.736SS**  cis-161.1146.9-3.4-132.7164.458.100110.5
791S37.4Very low37.6Very low107 Ų107120.4 Ų120.475%0.74873%0.733SS**  trans51.1152.9150.961.60000121.3
792S39.3Very low38.1Very low112 Ų112120.3 Ų120.378%0.78373%0.73SS**  cis-175.3177.1-21.370.30000105.6
793S41.3Very low38.3Very low107 Ų107119.4 Ų119.475%0.74873%0.729SS**  cis-158.9-168.71.464.40000106.2
794S39.7Very low38.6Very low85 Ų85118.4 Ų118.459%0.59473%0.725SS**  cis-160-178.60.262.50000109.5
795N39.6Very low38.9Very low148 Ų148118.6 Ų118.679%0.79173%0.725SS**  trans35.3136138.3-56.2-7.2000121.3
796S40.9Very low39.1Very low108 Ų108118.3 Ų118.376%0.75572%0.724SS**  cis-170.8152.37.245.70000115
797A39.3Very low39.3Very low86 Ų86117.8 Ų117.871%0.71172%0.722SS**  trans57.8121.1148.200000120.3
798S36.9Very low39.3Very low104 Ų104118.2 Ų118.273%0.72773%0.725SS**  70.4145.861.873.60000114.7
799L38.6Very low39.3Very low145 Ų145124.9 Ų124.976%0.75974%0.735SS**  cis-130.5151.919.9-86.391.7000112.2
800I39Very low39.2Very low148 Ų148129 Ų12976%0.75974%0.744SS**  71.8126.978.6-55.7179.3000116.4
801P47.2Very low39Very low111 Ų111127.2 Ų127.272%0.72174%0.739SS**  trans-102.3-171.3-176.644.1-39000113.9
802P46.7Very low38.8Very low112 Ų112127.6 Ų127.673%0.72774%0.737SS**  -158.3175.79042.8-23.3000118.5
803S38.5Very low38.5Very low106 Ų106130.4 Ų130.474%0.74174%0.735SS**  trans62.1161.8151.179.10000120.1
804N37.9Very low38.1Very low126 Ų126132 Ų13267%0.67474%0.735SS**  cis-159.1148.33.7-137.57.7000112.3
805H41.9Very low37.5Very low151 Ų151133.1 Ų133.170%0.69974%0.743SS**  trans58.1153.7162.7-65.6-67.8000119.6
806D38.1Very low37.2Very low119 Ų119132.8 Ų132.864%0.63675%0.746SS**  cis-154.7152.8-9.9-127.314.1000114
807N36.6Very low36.7Very low133 Ų133133 Ų13371%0.71175%0.748SS**  trans35.699.6147.8-66-48.1000122.5
808S36.7Very low36.9Very low121 Ų121135 Ų13585%0.84675%0.753SS**  -167.9149.6103.256.10000111.5
809R34.4Very low36.5Very low234 Ų234133.4 Ų133.488%0.88375%0.753SS**  trans-105.1101.8-169.5-68.7-176.9-179.7177.10.2113.2
810H36.1Very low36.2Very low180 Ų180135 Ų13583%0.83376%0.761SS**  trans-83.1130.8147.9-107.9-97.1000108.5
811L33Very low35.8Very low129 Ų129133.3 Ų133.368%0.67576%0.758SS**  trans-124.7108.1168.9-74.7-177000110.2F813L811-F813 HydrophobicContact CD2-CE2 4Å
812T32.2Very low35.1Very low115 Ų115136.9 Ų136.971%0.70677%0.767SS**  trans-106103.5170.1-54.20000108.3
813F33.4Very low34.5Very low170 Ų170136.4 Ų136.475%0.74676%0.762SS**  trans-117.4116.7161.4-67.9-75.8000106.3L811L811-F813 HydrophobicContact CD2-CE2 4Å
814L33.1Very low34Very low142 Ų142140.3 Ų140.374%0.74377%0.769SS**  5984.261.8-62.8179.1000113.1
815S28Very low33.9Very low108 Ų108142.9 Ų142.976%0.75578%0.777SS**  trans42.1105.4130.1176.90000118.4
816T33.6Very low33.3Very low141 Ų141143.6 Ų143.687%0.86579%0.786SS**  trans-152125.3134.3-19.40000110.8
817S30.6Very low33.2Very low112 Ų112143.1 Ų143.178%0.78379%0.792SS**  trans-108.4137.1172.4-55.90000110
818P41.5Very low32.7Very low128 Ų128148.2 Ų148.283%0.83180%0.801SS**  trans-100.4106153.330.1-18.9000108.8
819G29.5Very low32.6Very low70 Ų70148.4 Ų148.472%0.72280%0.8SS**  trans-82136169.200000110.6
820L32.5Very low32.2Very low178 Ų178142.4 Ų142.493%0.93279%0.793SS**  trans-106105.6162.2-88.9171.4000109.1
821V30.7Very low32.1Very low113 Ų113139 Ų13969%0.68579%0.79SS**  trans-83.4130169176.60000108.1T823V821-T823 HydrophobicContact CG1-CG2 3.88Å
822M31.9Very low31.9Very low186 Ų186139.6 Ų139.692%0.91680%0.799SS**  trans-121.4124.7153.6-92.1-69.1151.500107.8
823T33.7Very low31.8Very low102 Ų102137.3 Ų137.363%0.62680%0.798SS**  trans-83.9142.6-166.248.80000112.3V821V821-T823 HydrophobicContact CG1-CG2 3.88Å
824E28.7Very low31.5Very low189 Ų189134.7 Ų134.788%0.88380%0.802SS**  trans-57140157.7-62179.3116.200110.1
825Q35.4Very low31.4Very low179 Ų179137 Ų13784%0.83681%0.806SS**  trans-125.5126.2153.5-74.2-158.81.500109.7
826N30Very low31.6Very low166 Ų166137.2 Ų137.289%0.88880%0.802SS**  trans-69.4127.6175.5-88.5-57.9000110.9
827S35.5Very low31.3Very low110 Ų110137.2 Ų137.277%0.76980%0.803SS**  trans-156.7106.7145.634.70000111.2
828R27Very low31.3Very low239 Ų239138.6 Ų138.690%0.90280%0.801SS**  trans-68.2145.7153.4-75.3-178.6171.6-174.2-2.7107.8
829P33.5Very low31Very low126 Ų126137.1 Ų137.182%0.81879%0.791SS**  -124.6150116.135.2-32.4000112.1
830S27.2Very low31.1Very low107 Ų107141 Ų14175%0.74880%0.795SS**  trans-108.8111.4175.751.80000110.6
831S32.3Very low31Very low108 Ų108136.4 Ų136.476%0.75577%0.774SS**  trans-172141.4149.1500000113.2
832T30Very low31Very low142 Ų142139.3 Ų139.387%0.87178%0.778SS**  trans10.6113.4148.855.40000119.2
833G29.9Very low30.9Very low67 Ų67135.7 Ų135.769%0.69177%0.77SS**  trans-156.1117.4164.400000111.7
834S27.9Very low30.7Very low116 Ų116137.5 Ų137.581%0.81178%0.78SS**  trans-84.4123.7-178.8179.60000111.4
835F30.4Very low30.8Very low189 Ų189133.3 Ų133.383%0.82977%0.772SS**  trans-139.6103.5171.4-76.9-71.5000114
836V31.6Very low30.7Very low113 Ų113134.6 Ų134.669%0.68577%0.769SS**  trans33.4112.4138.6-171.50000117.9N838V836-N838 PolarHBondContact O-N 2.76Å
837T28.1Very low30.9Very low142 Ų142134.4 Ų134.487%0.87177%0.768SS**  trans-59.4121.2163.449.50000111.6
838N31.2Very low31Very low141 Ų141133.6 Ų133.675%0.75476%0.763SS**  trans-132.4114.2179.7-149.5-12.6000111V836 L840V836-N838 PolarHBondContact O-N 2.76Å; N838-L840 PolarHBondContact O-N 2.89Å
839P33.4Very low31.7Very low96 Ų96127.8 Ų127.862%0.62376%0.756SS**  trans-78.3107-174.530-33.4000111.7T841P839-T841 PolarHBondContact O-N 3.43Å; P839-T841 PolarHBondContact O-OG1 3.18Å; P839-T841 VanDerWaalsContact O-OG1 3.08Å
840L33.2Very low32.2Very low151 Ų151128 Ų12879%0.79176%0.755SS**  trans-50.8106.7179.5-74.4174000112.1N838 F842N838-L840 PolarHBondContact O-N 2.89Å; L840-F842 HydrophobicContact CB-CD2 4.48Å; L840-F842 HydrophobicContact CB-CE2 4Å; L840-F842 HydrophobicContact CD1-CE2 4.39Å
841T28.7Very low33.1Very low83 Ų83127.9 Ų127.951%0.50975%0.751SS.*  trans-99.395.8-179.3-63.20000109.2R139 P839 C843R139-T841 PolarHBondContact NH1-OG1 3.35Å; P839-T841 PolarHBondContact O-N 3.43Å; P839-T841 PolarHBondContact O-OG1 3.18Å; P839-T841 VanDerWaalsContact O-OG1 3.08Å; T841-C843 PolarHBondContact O-N 3.42Å
842F31.9Very low33.8Very low174 Ų174128.7 Ų128.776%0.76375%0.754SS**  trans-76.8108.8175.4-73.1-80.2000111.2L840L840-F842 HydrophobicContact CB-CD2 4.48Å; L840-F842 HydrophobicContact CB-CE2 4Å; L840-F842 HydrophobicContact CD1-CE2 4.39Å
843C30.1Very low34.4Very low110 Ų110133.2 Ų133.274%0.74376%0.755SS**  trans-72.6125.6168.3-67.90000110T841 S845T841-C843 PolarHBondContact O-N 3.42Å; C843-S845 PolarHBondContact O-N 3.49Å
844V28.5Very low35Very low139 Ų139136 Ų13684%0.84276%0.761SS**  trans-78.292.6173.5-1790000109R846V844-R846 PolarHBondContact O-N 3.04Å
845S30.9Very low35.5Very low102 Ų102133.8 Ų133.871%0.71376%0.756SS**  trans-57.2120171.3-65.90000110.3C843 N847C843-S845 PolarHBondContact O-N 3.49Å; S845-N847 PolarHBondContact O-N 3.05Å
846R32.4Very low35.9Very low206 Ų206133.2 Ų133.278%0.77776%0.76SS**  trans-76.8109.6170.4-78.7-179.9159.5-146.9-9.8108.8V844 S848V844-R846 PolarHBondContact O-N 3.04Å; R846-S848 PolarHBondContact O-N 2.82Å
847N35.8Very low36.3Very low162 Ų162133.4 Ų133.487%0.86677%0.767SS**  trans-67.782.7159.9-73.33.9000108.6S845S845-N847 PolarHBondContact O-N 3.05Å
848S37.4Very low36.9Very low93 Ų93134.1 Ų134.165%0.6577%0.766SS**PPolyproline II helixtrans-74.7133.6166.1-163.90000108R846 V850R846-S848 PolarHBondContact O-N 2.82Å; S848-V850 PolarHBondContact O-N 3.09Å
849P41.4Very low37.1Very low116 Ų116136.5 Ų136.575%0.75377%0.772SS**PPolyproline II helixtrans-62.7126.6175.226.2-33.1000109.3
850V44.3Very low37.3Very low132 Ų132135 Ų13580%0.878%0.775SS**PPolyproline II helixtrans-76124.9172.2177.20000107.5S848S848-V850 PolarHBondContact O-N 3.09Å
851P44.7Very low37.4Very low104 Ų104135.2 Ų135.268%0.67578%0.776SS**PPolyproline II helixtrans-65.8138.2174.128-33.7000109.5R853P851-R853 PolarHBondContact O-N 3.43Å
852P48.3Very low37.7Very low124 Ų124139 Ų13981%0.80579%0.792SS**PPolyproline II helixtrans-64.9124.7-178.826.5-33.6000110.2
853R42.7Very low37.8Very low237 Ų237135.1 Ų135.189%0.89479%0.787SS**PPolyproline II helixtrans-64.9133.4164.9-81.1-174168.1-150.2-1.8108.7P851 G855P851-R853 PolarHBondContact O-N 3.43Å; R853-G855 PolarHBondContact O-N 3.45Å
854P42.6Very low38.1Very low127 Ų127134.1 Ų134.183%0.82578%0.78SS**  trans-6998166.628.6-32.1000108.8
855G38.2Very low38.7Very low68 Ų68135.4 Ų135.470%0.70178%0.777SS**  trans-78.4133.3169.700000110R853R853-G855 PolarHBondContact O-N 3.45Å
856L38.1Very low39.2Very low177 Ų177136.4 Ų136.493%0.92778%0.775SS**  trans-66.8146.1171.7-64.790.6000109.9
857S41Very low39.6Very low117 Ų117132.2 Ų132.282%0.81877%0.768SS**  trans-125.5135.5162.757.70000108.4
858D40.5Very low39.8Very low158 Ų158132 Ų13285%0.84576%0.761SS**  trans-76.3173.4-162.2-101.4-60.4000116.2
859Q35.3Very low40.2Very low190 Ų190135.6 Ų135.689%0.88877%0.767SS**  trans-69.9149.5-172.4-53.1-177.823.600114
860G36.2Very low40.5Very low66 Ų66133.5 Ų133.568%0.6875%0.754SS**  trans177.666.2175.500000110.6
861L36.1Very low40.3Very low155 Ų155134.6 Ų134.681%0.81275%0.748SS**  86.6123.395-84.3170.6000113.4
862L36.2Very low40Very low161 Ų161137.6 Ų137.684%0.84375%0.747SS**  trans70.3142.1160.6-57.6164.9000116.9
863S33.7Very low39.6Very low94 Ų94138.2 Ų138.266%0.65774%0.739SS**  cis-164.1137.5-18.5-167.90000112.1
864S36.3Very low39.5Very low88 Ų88133 Ų13362%0.61573%0.725SS**  trans53.8149.1142.8-52.70000124.1
865H40.9Very low39.5Very low166 Ų166134.3 Ų134.377%0.76972%0.719SS**  trans87.8143.7157.7-54.5-62.7000120
866N40.4Very low39.4Very low124 Ų124139.3 Ų139.366%0.66372%0.724SS**  cis-174.7161.1-38.6-116.810.9000110.9
867N40.7Very low39.6Very low118 Ų118135.6 Ų135.663%0.63171%0.711SS**  trans67.2149.1157.6-60-9.3000117.6
868H41.6Very low39.5Very low158 Ų158135.4 Ų135.473%0.73171%0.71SS**  cis-143.6149.5-14.6-86.2-45.5000106.6
869H44.1Very low39.5Very low167 Ų167132.2 Ų132.277%0.77371%0.705SS**  cis77.3142.647.5-143.1-115.3000113.3
870P48.8Very low39.9Very low73 Ų73130.6 Ų130.647%0.47470%0.702SS.*  cis-145.2-148.4-38.946.1-29000114.2
871F39Very low40.1Very low155 Ų155132.2 Ų132.268%0.6870%0.703SS**  trans78.2152.6161-69.4-41.6000119.1
872Y39Very low40.3Very low166 Ų166133.6 Ų133.665%0.65170%0.702SS**  cis-153.6140.2-0.7-121.9-45.2000113.5
873Q40.6Very low40.7Very low137 Ų137131.1 Ų131.164%0.6470%0.698SS**  trans45.5136.2138.5-94.1174.8-1700127.3
874H41.3Very low41.1Very low129 Ų129137.3 Ų137.360%0.59771%0.709SS**  105.9130.7124.7-89.8-54.7000125
875H41.5Very low41.6Very low153 Ų153145.5 Ų145.571%0.70874%0.737SS**  trans54.9121.1155.9-64.6-63.2000120.8
876Q36Very low41.6Very low173 Ų173144.5 Ų144.581%0.80874%0.736SS**  71.6143.553.6-75.7-85.3-49.400114.4
877P43Very low41.7Very low99 Ų99145.5 Ų145.564%0.64374%0.739SS**  -131.6-172.2-119.945.2-33000114.2
878S38.3Very low41.8Very low114 Ų114147.1 Ų147.180%0.79775%0.745SS**  trans177.4158.2139.6-85.90000114.5
879A41.2Very low41.8Very low90 Ų90146.4 Ų146.474%0.74475%0.746SS**  trans68.4152.6152.200000119.2
880L42.9Very low41.6Very low157 Ų157145.1 Ų145.182%0.82275%0.745SS**  cis-166.4161-23.4-116170.4000109.2
881S39.7Very low41.2Very low100 Ų100149.9 Ų149.970%0.69976%0.763SS**  trans66.2161.7157.2-71.30000118.8
882K41.7Very low41.3Very low184 Ų184149.6 Ų149.680%0.877%0.768SS**  cis-174.5169.5-40.5-124.5178.8179.6-177.80108.2
883S43.9Very low41.5Very low108 Ų108148.3 Ų148.376%0.75578%0.778SS**  trans63.9153.6160.138.20000118.8
884Y41.3Very low41.6Very low224 Ų224149.3 Ų149.388%0.87879%0.789SS**  cis-171.9129.1-32.8-130.9-71.7000107.3
885E48Very low41.6Very low260 Ų260151.1 Ų151.1100%1.21581%0.806SS**  trans-159.20140.4-137.7168.7-15800108.8

Retrieved 885 of 885 residues in 175.2 ms (Link to these results)