A0A087Y4Z2_POEFO Loading...

Transcription factor Sp2

Binds to GC box promoters elements and selectively activates mRNA synthesis from genes that contain functional recognition sites.

AlphaFold DB , UniProt , Accession A0A087Y4Z2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 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
1M31.7Very low29.1Very low249 Ų249170.4 Ų170.4100%1.22784%0.843SS**  01280-66140.9176.600108.7
2S28.9Very low29.2Very low117 Ų117167.1 Ų167.182%0.81884%0.839SS**  trans-159.4128.4-179.3178.50000111
3W23.7Very low29.2Very low248 Ų248163.8 Ų163.894%0.93983%0.832SS**  trans-140.2100.6172.2-96.1-8.2000113.5
4S30Very low29.1Very low86 Ų86163.5 Ų163.560%0.60183%0.829SS**  54.779.5122.1-57.40000119R6S4-R6 PolarHBondContact O-N 3.29Å
5S28.1Very low29Very low133 Ų133161 Ų16193%0.9383%0.832SS**  trans-82.397151.5-71.30000110.5
6R35.1Very low29.1Very low219 Ų219161.6 Ų161.683%0.82683%0.83SS**  trans-98.1169.8165.8-62.3-169.1-170.8-146.55110.5S4S4-R6 PolarHBondContact O-N 3.29Å
7L31.8Very low29.2Very low127 Ų127161.8 Ų161.867%0.66583%0.827SS**  trans89.3127.8-174.7-55.7164.7000114.2
8W27.3Very low29.1Very low240 Ų240162.6 Ų162.691%0.90983%0.826SS**  cis-160.7152.7-24.9-126.121.6000107.9
9R29.1Very low29.1Very low227 Ų227160.3 Ų160.386%0.85782%0.816SS**  trans-91.3134.9158.8-78.2-174.2174.5-172.7-1.8107.1
10A27.8Very low29Very low95 Ų95158.5 Ų158.579%0.78582%0.819SS**  trans-85.4106.1162.300000107.5
11N27.2Very low29.1Very low133 Ų133159.5 Ų159.571%0.71182%0.822SS**  trans-86.8126.5150.6-85.521.6000106
12V30.1Very low29Very low131 Ų131152.2 Ų152.279%0.79480%0.801SS**  trans-86.2122157.2176.30000105.5
13V29.5Very low28.9Very low124 Ų124152.6 Ų152.675%0.75280%0.799SS**  trans-122.3125.4163.91740000104.6
14M26.9Very low29.1Very low160 Ų160147.8 Ų147.879%0.78880%0.797SS**  trans-78141.4173.1-73.6174.1156.200108.9E16M14-E16 PolarHBondContact O-N 2.92Å
15S28Very low28.9Very low126 Ų126147.8 Ų147.888%0.88180%0.802SS**  trans-84.5100.4163.1-70.90000107.8
16E29.9Very low29Very low171 Ų171148.3 Ų148.380%0.79980%0.799SS**  trans-80120.6158.9-70.2-173.691.100108.1M14M14-E16 PolarHBondContact O-N 2.92Å
17Q30.8Very low28.8Very low165 Ų165143.1 Ų143.177%0.77180%0.796SS**  trans-91.7103.6172.2177.283.23400106.9D19Q17-D19 PolarHBondContact NE2-OD2 3.35Å
18Q27.7Very low29.5Very low175 Ų175142.3 Ų142.382%0.81880%0.799SS**  trans-130110.1167.4-85.2-171.5-2400110.2
19D29.2Very low29.7Very low119 Ų119135.5 Ų135.564%0.63679%0.788SS**  trans-65.4143.5165.4-75.4-107.6000110.6Q17Q17-D19 PolarHBondContact NE2-OD2 3.35Å
20S28.4Very low29.7Very low124 Ų124133 Ų13387%0.86779%0.786SS**  trans-156.4135163-80.20000109.5
21M31.1Very low29.8Very low181 Ų181138.4 Ų138.489%0.89279%0.787SS**  trans-111.5152.5-167-56.2171.7-172.300111.7
22A28.3Very low29.9Very low95 Ų95139.5 Ų139.579%0.78579%0.792SS**  trans-164.6142.6163.900000109.9
23T26.9Very low30.1Very low125 Ų125141.8 Ų141.877%0.76779%0.794SS**  cis-157.9135.7-19.9-73.40000106.9
24V27.7Very low30.8Very low148 Ų148141 Ų14190%0.89779%0.792SS**  trans-135.5139.5158.2-178.30000107.3
25A26.8Very low30.9Very low86 Ų86137.8 Ų137.871%0.71179%0.785SS**  trans-86.2155.6-172.400000113.1
26V28.9Very low31Very low143 Ų143138.3 Ų138.387%0.86778%0.783SS**  trans-172.6135.1132.7140.60000109.1
27S31Very low31Very low110 Ų110134.3 Ų134.377%0.76978%0.78SS**  trans-101.8159.9167-76.50000107.9
28P47Very low30.9Very low111 Ų111131.7 Ų131.772%0.72178%0.78SS**  cis-155.8177.142.544.9-23.9000119.9
29S30.9Very low30.9Very low97 Ų97128.9 Ų128.968%0.67877%0.774SS**  trans69.3150.6138.6-73.80000124.4
30E29.5Very low31Very low175 Ų175130.7 Ų130.782%0.81878%0.779SS**  trans66.8150153.7-73166.610500120
31Y30.1Very low31.1Very low207 Ų207131.7 Ų131.781%0.81277%0.77SS**  cis-162.5-178.7-36.7-143.9-95.6000107.4
32L30.4Very low31Very low156 Ų156129 Ų12982%0.81776%0.759SS**  trans68.9108.1164.5-60.4173.2000120.1
33Q33.6Very low31Very low179 Ų179130.7 Ų130.784%0.83676%0.76SS**  -82.5174.9129-83.7-161.8-10.400108.6
34P43.8Very low31.3Very low108 Ų108132.4 Ų132.470%0.70176%0.759SS**  cis-158.6-169.333.846.4-23.2000120
35S29.6Very low31.9Very low92 Ų92131.3 Ų131.364%0.64376%0.755SS**  trans74.2113.2139.9-68.20000124.9
36T30.4Very low32Very low138 Ų138132.1 Ų132.185%0.84776%0.756SS**  66158.3128.467.30000120.2
37A28.7Very low33Very low87 Ų87130.4 Ų130.472%0.71975%0.747SS**  cis-150.2176.111.100000114
38S28.5Very low33.1Very low110 Ų110132.4 Ų132.477%0.76975%0.748SS**  trans4.2151.3155.2-49.80000121.4
39T28.4Very low32.2Very low115 Ų115132.1 Ų132.171%0.70676%0.755SS**  -170.3150.863.2-560000113.2
40Q31.8Very low32.4Very low158 Ų158134.3 Ų134.374%0.73876%0.759SS**  trans3.8157157.8-52.2174.8-70.700120.9
41Q30.6Very low32.5Very low144 Ų144133.8 Ų133.867%0.67376%0.761SS**  cis-168.9-177.9-10.6-109.4164-115.400105.6
42D27.6Very low32.4Very low126 Ų126128.7 Ų128.767%0.67476%0.761SS**  cis-159.1-170.16.1-142.6-54.6000110.7
43T29.1Very low32.6Very low130 Ų130125.9 Ų125.980%0.79876%0.761SS**  trans100.8136.4159.3-32.20000117.7
44Q32.4Very low32.6Very low161 Ų161123.9 Ų123.975%0.75276%0.761SS**  trans-58.4157.3-178.6-74.6-64.1-4400114.5
45P41.3Very low32Very low124 Ų124124.3 Ų124.381%0.80577%0.765SS**  -148.6-166.650.843.1-21.7000118
46S29.7Very low32.2Very low104 Ų104125.1 Ų125.173%0.72777%0.771SS**  trans-146.2168.7178.4-1370000109.6
47P48.4Very low32.4Very low106 Ų106128.2 Ų128.269%0.68877%0.773SS**  cis-135.3-160.14.741.2-21.4000114.7
48L33.2Very low32.7Very low152 Ų152131.9 Ų131.980%0.79678%0.778SS**  trans8176.8163-71.1160.9000119.1
49A28.3Very low32.6Very low105 Ų105129.8 Ų129.887%0.86878%0.775SS**  trans-119132.8140.900000108.7
50L34.7Very low33.5Very low143 Ų143130.6 Ų130.675%0.74978%0.782SS**  trans-155.290.1-171.5-134.9173.7000112.7
51L32.8Very low35Very low165 Ų165129.3 Ų129.386%0.86479%0.787SS**  trans174.6111135.7-120.463.7000111.1
52A28Very low35.1Very low99 Ų99127.4 Ų127.482%0.81880%0.796SS**  trans-160.8152.7164.500000110.6
53A33.6Very low35.3Very low97 Ų97126 Ų12680%0.80280%0.802SS**  trans65.2155.2-177.300000114.7
54T33.3Very low35.5Very low138 Ų138129.2 Ų129.285%0.84781%0.808SS**  cis-124.6168.813.8520000113.8
55C31.3Very low35.5Very low116 Ų116125.7 Ų125.778%0.78481%0.806SS**  trans-128.9167.1-176.9-62.40000112.8
56S34.3Very low35.5Very low110 Ų110125.7 Ų125.777%0.76981%0.807SS**  trans80.8113.6147.4-540000121.5
57K34.8Very low35.8Very low202 Ų202127.6 Ų127.688%0.87881%0.813SS**  -159.6141.8119.7-133.378.5175.9-1680114.7
58I33.8Very low35.2Very low164 Ų164127 Ų12784%0.84182%0.817SS**  trans-52.2138.8172.7-60.7149.7000111.8
59G26.7Very low35.8Very low67 Ų67125.3 Ų125.369%0.69182%0.818SS**  117.7179.367.800000109.3
60P48.8Very low36.9Very low132 Ų132126 Ų12686%0.85781%0.814SS**  cis-121.2-161.8-10.645.8-29.2000112.3
61P62.9Low37.1Very low130 Ų130125.2 Ų125.284%0.84482%0.817SS**  trans-114.3159.5-168.541-32.9000118.6
62A32.1Very low37.3Very low104 Ų104122.2 Ų122.286%0.8682%0.816SS**  trans-162162.4166.300000108.3
63A32.7Very low38Very low98 Ų98125.7 Ų125.781%0.8182%0.816SS**  cis-160.3-178.8-23.100000107.7
64Q32.6Very low38.2Very low196 Ų196126.5 Ų126.592%0.91681%0.813SS**  trans-84.9166.8175.4-55.1165.134.200109.7
65A31.4Very low38.5Very low87 Ų87128.2 Ų128.272%0.71981%0.811SS**  cis-156-155.81400000107.7
66P41.4Very low38.9Very low125 Ų125128.3 Ų128.381%0.81281%0.81SS**  cis-124.1-174.9-16.741-25.1000113.3
67V37.4Very low39.1Very low143 Ų143134.7 Ų134.787%0.86782%0.818SS**PPolyproline II helixtrans-98.6132.8178.5174.70000111.4
68A34.7Very low39.1Very low94 Ų94135.4 Ų135.478%0.77782%0.815SS**PPolyproline II helixtrans-95.8143.6168.300000111.8
69S45.8Very low39.5Very low116 Ų116135.5 Ų135.581%0.81182%0.816SS**PPolyproline II helixtrans-75.1141.7-174.1-57.70000113.7
70P50.9Low40.4Very low119 Ų119139.1 Ų139.177%0.77382%0.815SS**PPolyproline II helixtrans-79149.817632.4-35.1000112.9
71P40.1Very low40.1Very low127 Ų127138.5 Ų138.583%0.82581%0.811SS**PPolyproline II helixtrans-75.9159.8-177.630.9-36.1000114.2
72A36.3Very low39.4Very low102 Ų102140 Ų14084%0.84381%0.81SS**PPolyproline II helixtrans-73.3153.5-175.800000114.3
73Q42.5Very low39.7Very low173 Ų173144.3 Ų144.381%0.80881%0.809SS**PPolyproline II helixtrans-97.5141.1177.6-76.8-91-56.300111.8
74P38.3Very low40.1Very low114 Ų114145.6 Ų145.674%0.7481%0.81SS**PPolyproline II helixtrans-75.5152.2178.930.9-35.2000113.3
75Q40.5Very low40.5Very low174 Ų174140.1 Ų140.181%0.81380%0.798SS**PPolyproline II helixtrans-85.8138.3-176.4-63-66.1-23.800112.7
76P39.7Very low40.8Very low118 Ų118142.4 Ų142.477%0.76681%0.806SS**PPolyproline II helixtrans-78.4126.1177.830.6-33.5000112.5
77R38.5Very low40.7Very low244 Ų244144.4 Ų144.492%0.92181%0.807SS**PPolyproline II helixtrans-65143173.3-76.7-172.2175.2-168.1-0.3111.9L79R77-L79 PolarHBondContact O-N 3.39Å
78R34.2Very low40.7Very low217 Ų217141.5 Ų141.582%0.81980%0.799SS**  trans-85.5105-178.5-175.5-172.9-172.2-148.15.3111.3
79L41.3Very low40.9Very low166 Ų166143.3 Ų143.387%0.86980%0.802SS**PPolyproline II helixtrans-79.5143.4169.4-66.5174.2000111.2R77R77-L79 PolarHBondContact O-N 3.39Å
80Q47.3Very low40.6Very low142 Ų142142.2 Ų142.266%0.66480%0.801SS**PPolyproline II helixtrans-84.2152.5178.9-67.9-74.114.300111.8I82Q80-I82 PolarHBondContact O-N 3.4Å
81P41.9Very low40.3Very low119 Ų119141.9 Ų141.977%0.77380%0.798SS**PPolyproline II helixtrans-76.1121.4-178.8-13.329.7000112.8
82I47Very low40.3Very low162 Ų162142 Ų14283%0.83180%0.799SS**PPolyproline II helixtrans-76.8135.5165.4-59.7173.6000108.5Q80Q80-I82 PolarHBondContact O-N 3.4Å
83K38.8Very low40.3Very low194 Ų194146.3 Ų146.384%0.84380%0.799SS**PPolyproline II helixtrans-69.1131.3176.1-68.5178.8179.9175.90110.5
84P41.9Very low40Very low126 Ų126145.6 Ų145.682%0.81880%0.801SS**PPolyproline II helixtrans-76.2136174.130.6-33.4000111.6
85A40.1Very low39.9Very low80 Ų80148.1 Ų148.166%0.66181%0.807SS**PPolyproline II helixtrans-77.6157.7166.300000111
86P38.7Very low39.4Very low136 Ų136143.6 Ų143.688%0.88381%0.807SS**PPolyproline II helixtrans-68.7140.6-177.227.7-35000112.8
87I39.5Very low38.9Very low166 Ų166147.5 Ų147.585%0.85181%0.813SS**PPolyproline II helixtrans-103.9128.1177.7-63.7173.8000109.1
88A36.2Very low38.6Very low83 Ų83144.2 Ų144.269%0.68681%0.812SS**PPolyproline II helixtrans-70.7151.8177.800000112.7
89P38.5Very low38.4Very low131 Ų131139.2 Ų139.285%0.85181%0.81SS**PPolyproline II helixtrans-71.4141.3179.929.5-35000112.6
90A39.8Very low38.2Very low94 Ų94136.2 Ų136.278%0.77781%0.81SS**PPolyproline II helixtrans-85150.117800000112.5
91P46.1Very low37.6Very low111 Ų111138.4 Ų138.472%0.72182%0.817SS**PPolyproline II helixtrans-72.1157.8-174.228.7-36.1000114.4
92P38.7Very low37.3Very low129 Ų129136.5 Ų136.584%0.83882%0.819SS**PPolyproline II helixtrans-70.4150.2-179.830.1-35.8000112.8
93K37.8Very low36.5Very low193 Ų193136.1 Ų136.184%0.83982%0.818SS**  trans-104.6110.8-180-64.5178.7-179.6-179.60110.8
94N35.1Very low36.2Very low159 Ų159133.6 Ų133.685%0.8582%0.819SS**  trans-15179.2167.5-96.8-37.3000111.3
95L35.7Very low35.6Very low166 Ų166134.2 Ų134.287%0.86981%0.814SS**  trans-139127.3155.4-76.6-180000108.1
96G31.4Very low35.1Very low80 Ų80138.9 Ų138.983%0.82582%0.822SS**PPolyproline II helixtrans-87.1135.4173.800000110.4
97F28.7Very low34.9Very low200 Ų200139.3 Ų139.388%0.87782%0.816SS**PPolyproline II helixtrans-93.8131.2170.7-86.9-92.3000110.8
98L32.8Very low34.5Very low175 Ų175137.2 Ų137.292%0.91681%0.814SS**PPolyproline II helixtrans-67146.1171.3-69.2167.4000110.4A100L98-A100 PolarHBondContact O-N 3.11Å
99S30Very low34.7Very low111 Ų111139.7 Ų139.778%0.77682%0.822SS**  trans-78.2113.2-175.8172.50000111.8K101S99-K101 PolarHBondContact O-N 3.21Å; S99-K101 VanDerWaalsContact O-N 3.08Å
100A35.9Very low34.5Very low103 Ų103136.9 Ų136.985%0.85182%0.818SS**  trans-67.6104.5169.600000111.3L98L98-A100 PolarHBondContact O-N 3.11Å
101K34.8Very low34.2Very low189 Ų189141.1 Ų141.182%0.82283%0.826SS**  trans-134.7124153.7-86.8-166.3170.6-1680107.4S99S99-K101 PolarHBondContact O-N 3.21Å; S99-K101 VanDerWaalsContact O-N 3.08Å
102G36.6Very low33.4Very low79 Ų79139.2 Ų139.281%0.81483%0.827SS**  trans-76.4137.5177.600000111.5
103N29.3Very low33.5Very low153 Ų153142.6 Ų142.682%0.81883%0.831SS**  trans-111130.3155.8-76.6-10.2000106.9
104V32.8Very low33.2Very low141 Ų141139 Ų13986%0.85583%0.83SS**  trans-77.1125.3169.5175.30000107.7
105I28.4Very low33.1Very low139 Ų139135.8 Ų135.871%0.71383%0.825SS**  trans-105.3112.1168.6-59.7177.1000106.5L107I105-L107 HydrophobicContact CG2-CD1 4.45Å
106Q31.3Very low33.5Very low178 Ų178134.4 Ų134.483%0.83283%0.827SS**  trans-75141.2163-71.3-177.5-16.100108.6
107L33.6Very low34.2Very low146 Ų146134.2 Ų134.276%0.76482%0.824SS**  trans-105145.5167.4-72.187.4000109.3I105I105-L107 HydrophobicContact CG2-CD1 4.45Å
108P32Very low34.5Very low122 Ų122130 Ų13079%0.79282%0.82SS**  trans-64.4151.7173.9-19.932.9000112.3
109P38.9Very low34.8Very low134 Ų134127.1 Ų127.187%0.8781%0.811SS**  trans-79.2133.5175.632.2-33.2000111.3
110G34.6Very low35.1Very low73 Ų73129 Ų12975%0.75381%0.811SS**  trans13695.8163.400000115.6
111L33.2Very low35.1Very low183 Ų183129.5 Ų129.596%0.95880%0.803SS**  -156.7153.3125.9-105.2169.7000108.7
112G30.1Very low34.7Very low71 Ų71127.8 Ų127.873%0.73280%0.802SS**  trans-78.6161.5-162.400000115.9
113H41.3Very low34.4Very low200 Ų200129.8 Ų129.893%0.92680%0.799SS**  trans-71.4141.2171.6-60.984.8000111.2
114S30.1Very low34.5Very low118 Ų118129.2 Ų129.283%0.82580%0.795SS**  trans-154.6136.1157.9-167.60000111.6
115A33.8Very low34.2Very low90 Ų90130.7 Ų130.774%0.74479%0.792SS**  trans48.4125.416700000120.3
116P43.5Very low34.7Very low138 Ų138132.3 Ų132.390%0.89680%0.797SS**SBendtrans-81.8149.4162.834.9-32.7000111.4
117G46.6Very low34.4Very low75 Ų75128.4 Ų128.477%0.77379%0.789SS**  trans140.2-8.7162.400000118.4
118S35.3Very low34.4Very low112 Ų112127 Ų12778%0.78379%0.788SS**  trans-110.4121.4-175.6-56.70000113.1I120S118-I120 PolarHBondContact O-N 3.08Å
119P39.5Very low34.3Very low114 Ų114125.6 Ų125.674%0.7479%0.787SS**  trans-74.8118.3172.529.7-32.4000110.7V121P119-V121 PolarHBondContact O-N 3.38Å; P119-V121 VanDerWaalsContact O-N 3.11Å
120I36Very low33.7Very low152 Ų152131.2 Ų131.278%0.77979%0.791SS**  trans-74.1102.3174.3-60.9173.3000108.8S118 L122S118-I120 PolarHBondContact O-N 3.08Å; I120-L122 HydrophobicContact CG2-CG 4.47Å; I120-L122 PolarHBondContact O-N 2.94Å
121V34.8Very low34.2Very low112 Ų112133.7 Ų133.768%0.67979%0.792SS**  trans-78.3101.2176.1-179.50000109.8P119 T123P119-V121 PolarHBondContact O-N 3.38Å; P119-V121 VanDerWaalsContact O-N 3.11Å; V121-T123 HydrophobicContact CG1-CG2 4.13Å; V121-T123 PolarHBondContact O-N 3.12Å; V121-T123 VanDerWaalsContact O-N 3.11Å
122L27.6Very low34Very low153 Ų153133 Ų13380%0.80179%0.789SS**  trans-79.880.9170.5-83.6156.9000110.6I120 I124I120-L122 HydrophobicContact CG2-CG 4.47Å; I120-L122 PolarHBondContact O-N 2.94Å; L122-I124 PolarHBondContact O-N 3.11Å
123T30Very low34.2Very low121 Ų121133.7 Ų133.774%0.74279%0.788SS**  trans-67.798.2170.623.60000111.1V121 Q125V121-T123 HydrophobicContact CG1-CG2 4.13Å; V121-T123 PolarHBondContact O-N 3.12Å; V121-T123 VanDerWaalsContact O-N 3.11Å; T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 PolarHBondContact O-N 3.06Å
124I32Very low33.6Very low142 Ų142129.3 Ų129.373%0.72879%0.786SS**  trans-7388.1169-53.2178.5000108.6L122 Q126L122-I124 PolarHBondContact O-N 3.11Å; I124-Q126 HydrophobicContact CG2-CG 4.03Å; I124-Q126 PolarHBondContact O-N 3.42Å
125Q26.7Very low33.6Very low172 Ų172127 Ų12780%0.80478%0.781SS**  trans-7488.2178.5-169166.230.300111.1T123 S127T123-Q125 VanDerWaalsContact C-N 3.32Å; T123-Q125 PolarHBondContact O-N 3.06Å; Q125-S127 PolarHBondContact O-N 2.95Å
126Q37.4Very low33.8Very low173 Ų173129.4 Ų129.481%0.80879%0.789SS**  trans-76.187.5171.5-62.7-167.618.600110.5I124I124-Q126 HydrophobicContact CG2-CG 4.03Å; I124-Q126 PolarHBondContact O-N 3.42Å
127S26.4Very low33.1Very low96 Ų96127.1 Ų127.167%0.67178%0.782SS**PPolyproline II helixtrans-65.4144169.8-66.10000111Q125Q125-S127 PolarHBondContact O-N 2.95Å
128P33.8Very low32.1Very low115 Ų115131.3 Ų131.375%0.74779%0.787SS**PPolyproline II helixtrans-85.9135.8-14630.4-36.8000115.2R130P128-R130 PolarHBondContact O-N 2.95Å
129A28.2Very low32Very low93 Ų93131.8 Ų131.877%0.76978%0.779SS**PPolyproline II helixtrans-67.4122.6152.800000108.7T131A129-T131 PolarHBondContact O-N 3.02Å; A129-T131 VanDerWaalsContact O-N 3.15Å
130R26.4Very low31.3Very low253 Ų253135.6 Ų135.696%0.95579%0.787SS**  trans-65.3113.7-179.7-75.5-173.9172.9-155.4-0.8111.4P128P128-R130 PolarHBondContact O-N 2.95Å
131T46.4Very low31.2Very low124 Ų124138.5 Ų138.576%0.76179%0.79SS**  trans-116134.6156.949.80000108.8A129A129-T131 PolarHBondContact O-N 3.02Å; A129-T131 VanDerWaalsContact O-N 3.15Å
132N28.1Very low30.7Very low169 Ų169142.4 Ų142.490%0.90480%0.801SS**  trans177.8154.5151.7-96.4-20.8000110.8
133A34.4Very low31Very low85 Ų85141.6 Ų141.670%0.70280%0.801SS**  cis178.5150.6-3700000109.5
134A29.6Very low30.8Very low109 Ų109143.8 Ų143.890%0.90181%0.805SS**  trans154.1135.3152.200000107.9
135G28.8Very low30.8Very low70 Ų70141.9 Ų141.972%0.72280%0.802SS**  cis167.9-177.7-1.900000107.9
136P38.1Very low30.9Very low140 Ų140142.6 Ų142.691%0.90981%0.805SS**  cis-106-165.9-8.441.1-31000111.9
137A29.1Very low30.5Very low90 Ų90141.5 Ų141.574%0.74480%0.804SS**  trans-118.1163.7-174.200000113.9
138N26Very low30.7Very low163 Ų163146.1 Ų146.187%0.87282%0.815SS**  trans-136.7148.3153.3-164.5-9.9000107.9
139I33.7Very low30.6Very low121 Ų121146.9 Ų146.962%0.62182%0.817SS**  trans-128.1134.5-163.8-59170.8000109.8Y141I139-Y141 HydrophobicContact CG2-CD2 4.43Å; I139-Y141 HydrophobicContact CG2-CE2 4.31Å
140Q24.9Very low30.7Very low194 Ų194150.2 Ų150.291%0.90782%0.819SS**  trans-133.5147.1152.6-76.6-158.1-17.200110.8
141Y32.4Very low31.8Very low214 Ų214143.8 Ų143.884%0.83981%0.809SS**  trans-89.3151.9-177.7-71.3-103.5000111.1I139I139-Y141 HydrophobicContact CG2-CD2 4.43Å; I139-Y141 HydrophobicContact CG2-CE2 4.31Å
142Q25.6Very low31.2Very low194 Ų194146.6 Ų146.691%0.90781%0.814SS**  trans-143.9135.1153-153.4166.230.100110.4
143V32.3Very low32.1Very low135 Ų135142.7 Ų142.782%0.81881%0.814SS**  trans-95.8144.9-179.2177.80000109.2
144M25.8Very low32.2Very low167 Ų167141.6 Ų141.682%0.82381%0.811SS**  trans-121.7133.4176.4-134.4-163.884.500110.8
145P32.9Very low32.6Very low103 Ų103146.1 Ų146.167%0.66981%0.813SS**  trans-80.2152.6174.832.5-34.5000112.3
146Q29Very low33.1Very low186 Ų186149.5 Ų149.587%0.86981%0.813SS**  trans-83.6144.3169.7-73.6-82.71.500110.6
147I28.6Very low33.1Very low150 Ų150151.7 Ų151.777%0.76981%0.811SS**  trans-131.6132.1166-60.9-179.4000108.1
148Q31.5Very low33.5Very low194 Ų194154.4 Ų154.491%0.90781%0.812SS**  trans-110.7132.4-170.9-168.3175.638.900110.1
149V30.9Very low34.2Very low130 Ų130153 Ų15379%0.78880%0.804SS**  trans-137.6129.3-179.5-176.60000109.8
150M29.6Very low34.2Very low164 Ų164153.6 Ų153.681%0.80882%0.816SS**  trans-84.3153.4176.2-75.4175.362.400112.1
151P49.9Very low35.2Very low117 Ų117148 Ų14876%0.7681%0.81SS**  trans-78.3134.2177.432-34000112
152Q34.4Very low35.8Very low184 Ų184142.4 Ų142.486%0.8680%0.798SS**  trans-133.4144.5159.8-75-65-6.200109
153G46.3Very low36.6Very low87 Ų87141.6 Ų141.690%0.89780%0.8SS**  trans-75125.8-164.300000114.9
154G36.3Very low36.9Very low62 Ų62143.6 Ų143.664%0.63980%0.8SS**  trans-159.1147.1168.100000110.8
155Q37.8Very low37.3Very low203 Ų203139.7 Ų139.795%0.94980%0.795SS**  trans-75.4127.5177.4-72.1-168.31.800111
156I39.7Very low37.5Very low141 Ų141142.3 Ų142.372%0.72380%0.801SS**  trans-107.2105.9179.5-49.5178.5000109.4L158I156-L158 HydrophobicContact CG2-CD2 4.25Å; I156-L158 HydrophobicContact CG2-CG 4.04Å; I156-L158 PolarHBondContact O-N 3.34Å
157Q38.6Very low37.8Very low186 Ų186140.5 Ų140.587%0.86980%0.796SS**  trans-90.591.4175.3-168.791.384.300110.1
158L38.3Very low38.1Very low147 Ų147139.3 Ų139.377%0.7780%0.796SS**  trans-75.6128.3180-72.9164.6000112.4I156I156-L158 HydrophobicContact CG2-CD2 4.25Å; I156-L158 HydrophobicContact CG2-CG 4.04Å; I156-L158 PolarHBondContact O-N 3.34Å
159I40.5Very low38.3Very low134 Ų134135.3 Ų135.369%0.68779%0.785SS**  trans-92.3120.9167.9-58.4177.1000108.3G161I159-G161 PolarHBondContact O-N 3.05Å; I159-G161 VanDerWaalsContact O-N 3.08Å
160P32.5Very low38.4Very low134 Ų134134.6 Ų134.687%0.8778%0.783SS**THydrogen-bonded Turntrans-75.5102.1-17529.2-34.3000111.8
161G46.9Very low38.4Very low77 Ų77135.3 Ų135.379%0.79479%0.787SS**THydrogen-bonded Turntrans154.9-1116900000117.2I159I159-G161 PolarHBondContact O-N 3.05Å; I159-G161 VanDerWaalsContact O-N 3.08Å
162T44.8Very low37.6Very low96 Ų96135.8 Ų135.859%0.58979%0.788SS**  trans-137.9133-172.348.60000112.9Q164T162-Q164 PolarHBondContact O-N 3.08Å
163N42.9Very low37.6Very low177 Ų177132.9 Ų132.995%0.94778%0.782SS**SBendtrans-78.361.5172.9-70.4-11.6000111.6
164Q37.9Very low36.9Very low176 Ų176134.4 Ų134.482%0.82278%0.776SS**  trans-142.3142.1168.6-67.1-168.221.200109.5T162T162-Q164 PolarHBondContact O-N 3.08Å
165A34.9Very low36.5Very low85 Ų85136.5 Ų136.570%0.70279%0.788SS**  trans-124.2132.4174.400000109.1
166I35.8Very low36Very low158 Ų158131.9 Ų131.981%0.8178%0.784SS**  trans-99.4119.9173.7-59.6176.5000107.2T168I166-T168 HydrophobicContact CG2-CG2 4.33Å
167I35.4Very low35.3Very low148 Ų148130.3 Ų130.376%0.75979%0.792SS**  trans-100.1102.6177.8-56.6174.8000107.8T169I167-T169 HydrophobicContact CG2-CG2 4.43Å
168T35.6Very low34.9Very low125 Ų125126 Ų12677%0.76779%0.788SS**  trans-90.9105.8169.349.60000109.7I166I166-T168 HydrophobicContact CG2-CG2 4.33Å
169T34.6Very low34.4Very low110 Ų110125.7 Ų125.768%0.67579%0.792SS**  trans-78.2135.4169.1440000110.7I167I167-T169 HydrophobicContact CG2-CG2 4.43Å
170P33.9Very low33.7Very low116 Ų116125.1 Ų125.175%0.75380%0.795SS**  trans-75.8121.5165.930.3-31000109.3T172P170-T172 PolarHBondContact O-N 3.37Å
171M29.4Very low34.3Very low178 Ų178124.2 Ų124.288%0.87779%0.79SS**  trans-78.3106.8168.5-69.2-147.378.900110
172T32.8Very low33.3Very low128 Ų128126.9 Ų126.979%0.78579%0.79SS**  trans-91.9114.2167.8-55.40000108.8P170P170-T172 PolarHBondContact O-N 3.37Å
173V34.3Very low32.4Very low123 Ų123128.3 Ų128.375%0.74580%0.799SS**PPolyproline II helixtrans-81.5130.7174.6-177.10000109
174P32.8Very low32.3Very low118 Ų118124.7 Ų124.777%0.76679%0.785SS**PPolyproline II helixtrans-73143.7176.730.4-34.6000111.5
175A26.1Very low31.8Very low107 Ų107123.6 Ų123.688%0.88478%0.78SS**PPolyproline II helixtrans-83.7147.4175.600000111.9
176A27.9Very low31.5Very low105 Ų105128.2 Ų128.287%0.86878%0.784SS**  trans-125.4164.4172.500000110.8
177A26.4Very low31.1Very low109 Ų109126.5 Ų126.590%0.90178%0.781SS**  trans-78.4170.5-161.700000115.7
178A28.2Very low30.6Very low95 Ų95125.6 Ų125.679%0.78578%0.782SS**  trans-90.3152.4-166.500000115.4
179V28.5Very low30.1Very low140 Ų140123.9 Ų123.985%0.84878%0.78SS**  trans-140.7147.4159.3-178.20000108.6
180T26.3Very low29.6Very low123 Ų123126 Ų12676%0.75579%0.786SS**  trans-138.1173.9174.663.40000108.8
181P44Very low29.4Very low115 Ų115129.9 Ų129.975%0.74779%0.791SS**  cis-126.3-165.3-11.639-21.6000112.2
182V26.2Very low29.7Very low132 Ų132126.9 Ų126.980%0.879%0.785SS**  trans151.8146.5140.6163.60000111.1
183T26.1Very low29.3Very low126 Ų126125.5 Ų125.577%0.77378%0.781SS**  trans-137.6-172.2-175.766.70000109
184P42.1Very low29Very low101 Ų101126.6 Ų126.666%0.65678%0.781SS**  cis-131.2-174-11.341.9-26.2000113.5
185Q26.6Very low28.8Very low153 Ų153129.8 Ų129.872%0.71578%0.783SS**  -177.4139122.1-94-53.2-25.200112.6
186K27.7Very low28.9Very low183 Ų183130.4 Ų130.480%0.79678%0.776SS**  trans20.1140.4148.4-85.1-179.3177.7179.60122.1
187T27.7Very low28.8Very low122 Ų122136.4 Ų136.475%0.74878%0.776SS**  cis-155.61554.4-60.30000110.6
188V25.2Very low28.8Very low129 Ų129140.6 Ų140.678%0.78277%0.774SS**  trans-123.4132.1171.9174.80000111.7I190V188-I190 HydrophobicContact CG1-CD1 4.43Å
189A24.3Very low28.8Very low88 Ų88140.9 Ų140.973%0.72778%0.776SS**  trans-176.1122.6152.200000108.4
190I25.1Very low28.8Very low156 Ų156141.6 Ų141.680%0.878%0.775SS**  89.2124.455.5-67164.5000113.1V188V188-I190 HydrophobicContact CG1-CD1 4.43Å
191K30.7Very low29Very low197 Ų197141.4 Ų141.486%0.85778%0.779SS**  trans-59.6152.9173.2-65.8170.7173.2171.90111.1
192P35.2Very low28.2Very low115 Ų115139.1 Ų139.175%0.74778%0.776SS**  -163.5176.48244.2-22.8000119.7
193S24.2Very low28.3Very low99 Ų99137.8 Ų137.869%0.69278%0.779SS**  trans55.4115.7136-710000125.6
194L28.1Very low28.3Very low146 Ų146136 Ų13676%0.76478%0.777SS**  61.1146.3117.5-76.9166.9000123.9
195K28.5Very low27.7Very low185 Ų185138.2 Ų138.280%0.80478%0.783SS**  trans77.7151.7156.2-70158.4-178.6177.20117.8
196V27.3Very low27.7Very low120 Ų120136.8 Ų136.873%0.72779%0.785SS**  cis-168171.5-28.982.70000109.9
197R26.3Very low27.8Very low231 Ų231135.4 Ų135.487%0.87278%0.783SS**  trans72.4164.2172.1-73161.7-176.3-169.30.9117.3
198K27.2Very low27.8Very low197 Ų197137 Ų13786%0.85778%0.782SS**  cis179.8125.2-36.6176.2178.1178.2-177.50109.1
199A26.8Very low28.5Very low101 Ų101138.7 Ų138.784%0.83579%0.786SS**  trans-153.1163.516300000110.6
200N29.1Very low29.3Very low155 Ų155140 Ų14083%0.82979%0.787SS**  trans-157.1172.7-176.9-169.220.2000110.7
201S30.9Very low29.8Very low118 Ų118139.6 Ų139.683%0.82579%0.792SS**  trans69.8153.6-174.876.50000115.1
202G26.5Very low29.9Very low67 Ų67133.4 Ų133.469%0.69178%0.784SS**  cis-145.3151.2-6.800000109.4
203A28.2Very low29.6Very low104 Ų104135.6 Ų135.686%0.8679%0.788SS**  90.5109.47500000114.4
204A27.7Very low29.9Very low88 Ų88136.1 Ų136.173%0.72779%0.788SS**  trans78.3137.9148.600000122.9
205N28.1Very low30Very low148 Ų148136 Ų13679%0.79179%0.787SS**  trans93.3118.4134.7-75.2-6000124.5
206V28Very low30.7Very low123 Ų123133 Ų13375%0.74579%0.787SS**  90.6149.2126.6171.20000119.4
207M28.8Very low30.9Very low154 Ų154133.8 Ų133.876%0.75979%0.786SS**  trans-64.2155.1179.7-50.3107.369.100112.9
208Q28.3Very low31Very low156 Ų156129.3 Ų129.373%0.72978%0.779SS**  -163.2144.2119.8-145.470.6-35.600111.4
209L40Very low31.1Very low164 Ų164126.3 Ų126.386%0.85978%0.777SS**  trans-113.8132.3153.2-110.379000107.8
210P40Very low31.2Very low116 Ų116125.1 Ų125.175%0.75377%0.768SS**  trans-107.7161.8159.3-2.323.8000112.3
211T35.5Very low31.3Very low147 Ų147124.6 Ų124.690%0.90277%0.77SS**  trans-123.7164.2-169.346.40000113.2
212G33.3Very low31.2Very low67 Ų67122 Ų12269%0.69176%0.762SS**  trans146.1145.1160.700000115.1
213L28.6Very low31.5Very low161 Ų161127.7 Ų127.784%0.84377%0.771SS**  cis-156.6145.9-6.3-93.5173.6000110.9
214T30.1Very low31.8Very low111 Ų111128.7 Ų128.768%0.68177%0.766SS**  trans45.712315053.20000121.8
215L31.8Very low31.8Very low144 Ų144128 Ų12875%0.75477%0.767SS**  75.814567-73.8175.9000114.3
216P41.8Very low31.8Very low122 Ų122124.6 Ų124.679%0.79277%0.767SS**  cis-131.3-165.544.315.711.7000114.8
217L32.7Very low31.7Very low136 Ų136124.4 Ų124.471%0.71277%0.772SS**  -170.1162.7-50.9-113.6169.7000109.9
218N27.9Very low32.7Very low137 Ų137123 Ų12373%0.73377%0.773SS**  trans105.7117166.9-65.3-4.1000117.2
219V29.6Very low32.7Very low133 Ų133120.9 Ų120.981%0.80677%0.771SS**  91.9130.756.3164.10000110.5
220A28.7Very low32.1Very low77 Ų77118.6 Ų118.664%0.63676%0.764SS**  cis-147.3167.524.400000116.5
221T30.6Very low31.5Very low144 Ų144118.6 Ų118.688%0.88376%0.762SS**  trans22.4147.6144.156.40000123.1
222G28.7Very low31Very low64 Ų64119.2 Ų119.266%0.6676%0.755SS**  cis157.9177.10.100000113.4
223E32.3Very low30.8Very low185 Ų185121.7 Ų121.786%0.86476%0.757SS**  trans66.4150.9166.4-56.2-77.373.700117.7
224V34.5Very low30.9Very low125 Ų125118.2 Ų118.276%0.75875%0.751SS**  cis-149.3169.9-9104.30000110.8
225G28.5Very low30.7Very low73 Ų73117.6 Ų117.675%0.75376%0.757SS**  trans-76.5-162.3-172.700000118.3
226G28.9Very low30.7Very low78 Ų78116.2 Ų116.280%0.80476%0.759SS**  cis-167.1-165.48.500000115.4
227S26.2Very low31.5Very low119 Ų119116 Ų11683%0.83276%0.758SS**  trans-107.9-172.7-173.5-45.30000111.9
228P48.8Very low32.1Very low123 Ų123115.1 Ų115.180%0.79976%0.76SS**  cis-116.8-126.4-1.122.94.5000112.6
229V28.3Very low32.3Very low113 Ų113114.7 Ų114.769%0.68576%0.763SS**  cis-161.7135.25.395.70000106.7
230V28.3Very low32.7Very low116 Ų116114.5 Ų114.570%0.70376%0.764SS**  62.1130.889.9164.20000114.1
231T26Very low32.8Very low116 Ų116114.5 Ų114.571%0.71277%0.772SS**  cis-168.8169.1-2.325.70000112.2
232E25.8Very low32.7Very low160 Ų160118.2 Ų118.275%0.74878%0.776SS**  trans67.2131.4150.6-67.3-126.670.600120.3
233T28.5Very low32.7Very low119 Ų119118.9 Ų118.973%0.7378%0.782SS**  77.8132.575.4-39.90000111.8
234A30.5Very low32.7Very low88 Ų88120 Ų12073%0.72778%0.779SS**  cis-157.3-174.320.900000115
235A26.8Very low32.5Very low98 Ų98124.7 Ų124.781%0.8178%0.783SS**  trans82.3164.3150.400000121.8
236S30.5Very low32.6Very low114 Ų114125 Ų12580%0.79779%0.786SS**  trans-170.4177.2-167.1-74.90000109.3
237P58.6Low32.9Very low119 Ų119132.6 Ų132.677%0.77379%0.79SS**  cis-114-111.42.932.2-9.5000112
238P46.5Very low33.2Very low116 Ų116135.8 Ų135.875%0.75379%0.789SS**  cis-112.6-127.61.443.5-30000115
239T31.3Very low32.5Very low128 Ų128139.2 Ų139.279%0.78579%0.792SS**  trans-142.9173-173.859.60000109.3
240P39.5Very low32.7Very low129 Ų129142.9 Ų142.984%0.83880%0.799SS**  cis-145.5-170.218.844.3-24.1000116.8
241G29.1Very low32.7Very low77 Ų77143.8 Ų143.879%0.79480%0.804SS**  trans156.8130.4157.400000117.2
242K29Very low32.9Very low223 Ų223144.4 Ų144.497%0.9781%0.807SS**  trans-115.1139.6178.8-61.6167.4-178.3166.90112
243G29.4Very low33.4Very low77 Ų77144.1 Ų144.179%0.79481%0.81SS**  trans159.1123.7165.400000112.1
244R32.2Very low34.1Very low210 Ų210144.6 Ų144.679%0.79282%0.815SS**  cis91.5110.729.1-150.5-166.1-158.6-134.14.6114.6
245R30.3Very low34.1Very low222 Ų222144.8 Ų144.884%0.83882%0.817SS**  trans85.4140.3174.7-60.2175-88.3-143.81.7115.5
246G29.6Very low34.3Very low80 Ų80148.5 Ų148.583%0.82582%0.817SS**  trans-133.9176.8-178.400000113.4
247R35.6Very low34.9Very low237 Ų237148.8 Ų148.889%0.89482%0.816SS**  trans-153.3133.5-172.2-173.4168.8172.1159.3-4.9115.1
248K31.7Very low34.7Very low186 Ų186147.9 Ų147.981%0.80981%0.811SS**  trans6.7115.8157-57.5175.2179.4179.50121.7
249K34.1Very low34.7Very low196 Ų196148.4 Ų148.485%0.85281%0.814SS**  66.5138.2103.2-150.5179.3-171.9178.50122.3
250K32.7Very low34.6Very low190 Ų190146.9 Ų146.983%0.82681%0.814SS**  trans75.6138.6177.9-63.1-167.6171.1-1700113.7
251V29.7Very low34.3Very low134 Ų134150 Ų15081%0.81282%0.818SS**  -171.4154.670.8152.60000107.4
252V30.3Very low34.4Very low129 Ų129151.2 Ų151.278%0.78282%0.82SS**  cis-162-177.4-11.7138.30000108.1
253L35.1Very low34.3Very low155 Ų155145.4 Ų145.481%0.81281%0.814SS**  trans-106.3154.6174.3-69.8168.2000112.2
254P43Very low34.4Very low128 Ų128147.3 Ų147.383%0.83182%0.815SS**  -151.1-160.496.139.3-20.3000114
255A30.8Very low35.2Very low93 Ų93143.1 Ų143.177%0.76982%0.815SS**  -167.8125.6-73.700000113
256E31.3Very low35.6Very low175 Ų175138 Ų13882%0.81881%0.811SS**  trans56.4175.7164.6-95.7-168.786.300119.6
257P42.9Very low36.6Very low120 Ų120139.7 Ų139.778%0.77981%0.807SS**  cis-128.2-175.711.541.5-22.6000117.3
258P53.7Low36.3Very low100 Ų100136.8 Ų136.865%0.64980%0.803SS**  trans-120.7170.7-169.143-33.3000117.9
259P47.2Very low36.1Very low128 Ų128136.4 Ų136.483%0.83180%0.804SS**  trans-134.1176.5140.913.99.6000112
260A30.2Very low35.7Very low95 Ų95136 Ų13679%0.78581%0.808SS**  cis-165.2-160-19.900000108.8
261Q33Very low35.6Very low195 Ų195135.8 Ų135.891%0.91181%0.81SS**  trans-147.2155.6176.3-61179.92.400112.5
262A29.8Very low35.4Very low103 Ų103135 Ų13585%0.85181%0.806SS**  trans175.2157.9142.500000116.4
263A27.3Very low35.2Very low100 Ų100135.6 Ų135.683%0.82680%0.803SS**  trans85149.7145.400000124.3
264S30.8Very low34.8Very low117 Ų117135.5 Ų135.582%0.81880%0.802SS**  trans-166.3172.3176.4-730000107.9
265P49.2Very low34.3Very low123 Ų123136.9 Ų136.980%0.79980%0.801SS**  cis-108.3-110.4-0.331.3-9.1000111.8
266P39.8Very low34.2Very low115 Ų115141.1 Ų141.175%0.74781%0.805SS**  cis-115.3-170-0.344.5-30.7000114.9
267P50.8Low34.2Very low114 Ų114137.9 Ų137.974%0.7481%0.808SS**  trans-121.6-169.3-179.342.9-30.1000116.5
268E28.4Very low33.5Very low176 Ų176135.7 Ų135.782%0.82281%0.807SS**  trans77.6156.7-179.9-45.3-157.3132.200115.8
269Q27Very low32.6Very low178 Ų178137.7 Ų137.783%0.83281%0.813SS**  cis-130174.29.2-74.1179.1-23.400113.2
270M26.5Very low32Very low187 Ų187137.9 Ų137.992%0.92181%0.806SS**  trans-85.8147.4163.5-79.6179.5163.500110.8
271E30.8Very low32.1Very low187 Ų187141.3 Ų141.387%0.87481%0.81SS**  trans-140.5141.3157.7-158.4168-151.900110.6
272T24.5Very low31.9Very low117 Ų117140.2 Ų140.272%0.71881%0.808SS**  trans-105.8121.6-171.2-61.80000110.3L274T272-L274 HydrophobicContact CG2-CD1 4.12Å
273I27.3Very low31.8Very low141 Ų141143.9 Ų143.972%0.72381%0.808SS**  trans-119.9111.9170.3-57.7-179.6000108.5I275I273-I275 HydrophobicContact CG2-CD1 4.4Å; I273-I275 HydrophobicContact CG2-CG1 4.03Å
274L27.3Very low31.8Very low154 Ų154143.7 Ų143.781%0.80681%0.806SS**  trans-78.4132.2161-73.593.9000108.6T272T272-L274 HydrophobicContact CG2-CD1 4.12Å
275I31.2Very low31.7Very low157 Ų157140.9 Ų140.981%0.80580%0.796SS**  trans-128.8138.1154.7-61.6-178.3000106.4I273I273-I275 HydrophobicContact CG2-CD1 4.4Å; I273-I275 HydrophobicContact CG2-CG1 4.03Å
276E30Very low31.3Very low182 Ų182142.9 Ų142.985%0.8580%0.8SS**  trans-73.8160.8-165.7-61.4174.911400113.2G278E276-G278 PolarHBondContact O-N 3.35Å
277A29.6Very low31.1Very low107 Ų107144.7 Ų144.788%0.88480%0.803SS**  trans-74.486.2-175.900000112.1
278G29.5Very low30.3Very low73 Ų73147 Ų14775%0.75381%0.809SS**  trans-72.5131162.700000111.4E276E276-G278 PolarHBondContact O-N 3.35Å
279D35.3Very low30.5Very low143 Ų143146.6 Ų146.677%0.76581%0.811SS**  trans-62.3134.6-174.1-104.3-63.1000114.6
280N33.5Very low30.8Very low131 Ų131145.9 Ų145.970%0.70181%0.811SS**  trans51.2105.2154.4-56.3-64000119.8
281I31.7Very low31Very low168 Ų168143.3 Ų143.386%0.86281%0.806SS**  179.5122.7123.7-90.9149.4000109.6
282I29.3Very low31Very low171 Ų171143.5 Ų143.588%0.87781%0.807SS**  trans-142.8141.7152.9-49.1-177.1000109.9
283Q28.6Very low31.3Very low181 Ų181143.2 Ų143.285%0.84681%0.81SS**  trans-60.8166.4168.9-82.1-176.9-22.200114.3
284A26.9Very low32Very low95 Ų95142.8 Ų142.879%0.78582%0.816SS**  cis-168.1162-13.500000110.2
285G28.6Very low32.2Very low59 Ų59138.9 Ų138.961%0.60881%0.813SS**  trans96.7165.4166.900000115
286N41.2Very low32.2Very low165 Ų165140.2 Ų140.288%0.88282%0.816SS**SBendtrans4959.9-175.5-71.1-0.9000114L288N286-L288 PolarHBondContact O-N 2.93Å; N286-L288 VanDerWaalsContact O-N 3.12Å
287N35.4Very low32.4Very low152 Ų152136.1 Ų136.181%0.81381%0.805SS**  trans-47.5112.8-177.3-53.22.9000113.4
288L33.7Very low32.6Very low164 Ų164137 Ų13786%0.85980%0.801SS**  trans-100.4136.3150.7-71.8174.5000108N286N286-L288 PolarHBondContact O-N 2.93Å; N286-L288 VanDerWaalsContact O-N 3.12Å
289L32.2Very low32.7Very low167 Ų167142.1 Ų142.187%0.87481%0.808SS**  trans-104127.9169.3-75.6164.8000107.8
290I33.7Very low32.4Very low162 Ų162141.4 Ų141.483%0.83181%0.809SS**  trans-127.4127163.8-61.8-177.8000107.1
291V31.1Very low32.3Very low133 Ų133143.4 Ų143.481%0.80681%0.814SS**  trans-92.1133.1176.6174.40000108.2
292Q30.3Very low32.2Very low191 Ų191143.3 Ų143.389%0.89381%0.81SS**  trans-74.4140.6171.8-73.6-176-12.200111.5
293S31.8Very low32.3Very low112 Ų112141.5 Ų141.578%0.78381%0.806SS**  trans-149.9154.4146.251.80000108.8
294P42Very low32.3Very low132 Ų132140.7 Ų140.786%0.85780%0.802SS**  trans-110.1160.7-148.339.3-34.6000116.2
295G31.2Very low32.3Very low71 Ų71142.8 Ų142.873%0.73281%0.805SS**  trans113.6111.9144.800000117.4
296Q29.5Very low32.3Very low186 Ų186145.6 Ų145.687%0.86981%0.81SS**  trans175.9156.6133.2-90.2-60.2-53.900108.1
297P35.9Very low31.9Very low95 Ų95146.1 Ų146.162%0.61781%0.807SS**  trans-86.8164.9-16234.4-35.5000114.9
298P33.8Very low31.7Very low126 Ų126145 Ų14582%0.81881%0.808SS**  trans-80.3154.4-173.533.2-36.9000113.8
299M29.8Very low31.3Very low181 Ų181146.3 Ų146.389%0.89281%0.807SS**  trans-129.1129.4165.848.8-165.968.100109.6
300V30.9Very low31.1Very low128 Ų128144.7 Ų144.778%0.77680%0.804SS**  trans-92.3127.7-168.8177.40000110.2
301Q30.4Very low30.7Very low173 Ų173145.5 Ų145.581%0.80881%0.805SS**  trans-143.6116.9159.5-165.3625600110.1
302Q29.7Very low30.6Very low166 Ų166144.6 Ų144.678%0.77680%0.804SS**  trans-77.8141.1173.2-66.9170.3-47.100110.2
303V31.8Very low30.5Very low132 Ų132144.9 Ų144.980%0.881%0.805SS**  trans-135.5126.7160.9-179.20000108.2
304Q27.8Very low30.3Very low164 Ų164147.5 Ų147.577%0.76681%0.81SS**  trans-70.7131.3-174.9-149.9837.700111.4V306Q304-V306 HydrophobicContact CG-CG2 4.45Å; Q304-V306 PolarHBondContact O-N 2.92Å
305V26.6Very low29.6Very low139 Ų139148.6 Ų148.684%0.84281%0.807SS**  trans-84.1102.8167.71780000109.1
306V30.1Very low29.4Very low119 Ų119153.2 Ų153.272%0.72181%0.809SS**  trans-95.5122.7170.9-179.90000109.1Q304Q304-V306 HydrophobicContact CG-CG2 4.45Å; Q304-V306 PolarHBondContact O-N 2.92Å
307Q32.6Very low29.5Very low176 Ų176151.8 Ų151.882%0.82281%0.806SS**  trans-77.3127.7174.8-64.1178.947.900110.7K309Q307-K309 PolarHBondContact O-N 2.8Å
308P31.7Very low29.5Very low127 Ų127153 Ų15383%0.82581%0.814SS**  trans-75.7115164.130-30.8000109.7
309K24.4Very low29.6Very low192 Ų192155.8 Ų155.884%0.83582%0.816SS**  trans-72.8145.6173.3-167.9-179.9-179.3-172.10110Q307 E311Q307-K309 PolarHBondContact O-N 2.8Å; K309-E311 PolarHBondContact O-N 3.38Å
310T28.9Very low29.7Very low133 Ų133156.4 Ų156.482%0.81682%0.817SS**  trans-70.6122.2-177.9-30.80000112
311E25.5Very low29.6Very low180 Ų180154.4 Ų154.484%0.84181%0.813SS**  trans-151.1144.9158.3-122.1168.813800111.5K309K309-E311 PolarHBondContact O-N 3.38Å
312S26.9Very low29.7Very low113 Ų113152.9 Ų152.979%0.7981%0.81SS**  trans-106.4124.1-174.8-62.60000110.3
313Q29.3Very low30Very low197 Ų197154 Ų15492%0.92181%0.812SS**  trans-148158162-119.416659.700114.1
314L26.5Very low30Very low168 Ų168153.7 Ų153.788%0.8881%0.811SS**  trans-117.9111.5-156171.784000110.4
315I28.5Very low30.3Very low155 Ų155151.9 Ų151.980%0.79581%0.81SS**  trans-148.5141.6172-54.9179.4000107.9
316Q26.7Very low30.5Very low168 Ų168155 Ų15579%0.78581%0.812SS**  cis-171.1128.2-30.4174.8171.7-21.200105.2
317I32.5Very low30.5Very low155 Ų155153.4 Ų153.480%0.79581%0.812SS**PPolyproline II helixtrans-94.8129.3176.4-60.4177.7000108.9
318P34.5Very low30.3Very low121 Ų121149.4 Ų149.479%0.78681%0.809SS**PPolyproline II helixtrans-62.2137.4177.6-23.134.1000112.6
319Q35.5Very low30.1Very low184 Ų184148.5 Ų148.586%0.8681%0.806SS**PPolyproline II helixtrans-97.5141.9173.7-66.6-164.7-3.200111.6
320Q32.2Very low30.4Very low195 Ų195144.3 Ų144.391%0.91181%0.807SS**  trans-132.1126.4154.5-68.1-166.9-7.400109.8
321A29.3Very low30.4Very low85 Ų85143.5 Ų143.570%0.70281%0.807SS**  trans-67.3161.6-160.700000116.2
322L32.6Very low30.7Very low141 Ų141142.6 Ų142.674%0.73881%0.807SS**  176.6123.4106.3-91.4161.9000113.9
323K35.7Very low31.1Very low190 Ų190143 Ų14383%0.82681%0.807SS**  trans62.2152.2149.4-66.1167.6179.91710119.6
324V31.6Very low31.1Very low126 Ų126142.6 Ų142.676%0.76481%0.805SS**  cis-166.6167.3-35.9106.10000108.2
325V34.5Very low31.4Very low125 Ų125140.3 Ų140.376%0.75880%0.798SS**  trans75.5108.1-176.1-167.90000112.4
326K30.2Very low31.5Very low204 Ų204139.1 Ų139.189%0.88780%0.8SS**  62.1140.862.3-69.5-172.7172.7-178.30113.3
327A31.6Very low31.8Very low87 Ų87139.4 Ų139.472%0.71980%0.801SS**  cis-138.7152.8-1.300000108.4
328A28.5Very low31.6Very low92 Ų92141.9 Ų141.976%0.7681%0.806SS**  50.4140.586.500000115.5
329S25.9Very low31.2Very low107 Ų107145 Ų14575%0.74881%0.81SS**  cis-179.5145.6-13.546.40000110.6
330A30.3Very low31.3Very low105 Ų105141.5 Ų141.587%0.86880%0.804SS**  trans61.6172172.400000115.1
331S29Very low31Very low115 Ų115139.5 Ų139.580%0.80480%0.804SS**  cis-144.7164.7-4.2-164.50000111
332L32.8Very low30.9Very low162 Ų162141.5 Ų141.585%0.84881%0.808SS**  trans-94.8152.1167.6-81.2167.7000111.7
333P35Very low30.6Very low122 Ų122140 Ų14079%0.79281%0.809SS**  trans-129.5-177.5137.334.8-22.5000112.8
334Q29.4Very low30.1Very low188 Ų188136.2 Ų136.288%0.87981%0.807SS**  trans-107.6158.7-163.3-66.5-173.90.300117.1
335V33.2Very low29.9Very low120 Ų120137.3 Ų137.373%0.72781%0.808SS**  trans-16.9139.7158-1760000118.5Q337V335-Q337 HydrophobicContact CG1-CG 4.32Å
336P31.2Very low29.5Very low129 Ų129139.4 Ų139.484%0.83881%0.809SS**  trans-117.9154.6134.41.519.8000113.1
337Q32.6Very low29.3Very low175 Ų175135.9 Ų135.982%0.81880%0.804SS**  trans-105.5145.3176.1-64.4-173.49.600113.2V335V335-Q337 HydrophobicContact CG1-CG 4.32Å
338K27.4Very low29.1Very low207 Ų207138.3 Ų138.390%0.981%0.811SS**  -177.2152.9126.8-101.7163.8-177177.30113.2
339Q27.4Very low29.5Very low186 Ų186139.2 Ų139.287%0.86981%0.808SS**  trans-110-177.3162.3-60.7-174.6-23.500108.1
340P37.7Very low29.8Very low111 Ų111140 Ų14072%0.72181%0.811SS**  cis-134.2163.8-5.740.2-24.7000115.6
341V25.8Very low29.8Very low152 Ų152143.8 Ų143.892%0.92181%0.811SS**  trans-160.2168.9144.1-106.90000111.2
342T26.6Very low30.1Very low127 Ų127143.4 Ų143.478%0.77981%0.806SS**  trans-105.6141.8-165.749.80000115.8
343S26.9Very low30Very low110 Ų110141.4 Ų141.477%0.76981%0.805SS**  trans64.3114.1149-54.80000119.8
344S24.6Very low30.1Very low110 Ų110140.3 Ų140.377%0.76980%0.801SS**  172.8162103.3-74.40000114.6
345L26.2Very low30.4Very low150 Ų150137.3 Ų137.379%0.78580%0.795SS**  trans79.7116.8159.1-68158.2000122.2
346Q27.4Very low30.7Very low168 Ų168137.3 Ų137.379%0.78579%0.787SS**  trans67.982.4133.8-72.1170.8-20.600122.7
347V26Very low31.3Very low131 Ų131136.1 Ų136.179%0.79477%0.773SS**  24.1120114.3-174.60000119.2
348T26.7Very low32Very low138 Ų138132.2 Ų132.285%0.84776%0.757SS**  trans-137.7134140.443.70000110
349P37Very low33.1Very low110 Ų110127.3 Ų127.371%0.71474%0.736SS**PPolyproline II helixtrans-100.6152.1173.636.7-31.7000112.6
350P32.7Very low34.2Very low125 Ų125124.4 Ų124.481%0.81272%0.72SS**PPolyproline II helixtrans-82.7157172.233.7-34.6000113.5
351E30.3Very low35.2Very low183 Ų183121.2 Ų121.286%0.85570%0.699SS**PPolyproline II helixtrans-57.5143.3179.2-85.9-86.586.100115.1
352P35.6Very low36.2Very low108 Ų108119.7 Ų119.770%0.70170%0.702SS**PPolyproline II helixtrans-90.4131166.234.8-29.8000112
353S31.2Very low37.6Very low119 Ų119118.2 Ų118.283%0.83270%0.697SS**PPolyproline II helixtrans-72.3129.9176.345.70000112.7
354S35.5Very low38.9Very low100 Ų100114.8 Ų114.870%0.69968%0.679SS**PPolyproline II helixtrans-76.3141.2174.461.10000111.7
355T37.2Very low39.7Very low124 Ų124116.3 Ų116.376%0.76167%0.674SS**  trans-100.2112.6179.7-60.30000109.9
356Q39.4Very low41Very low120 Ų120116.8 Ų116.856%0.56167%0.665SS**  trans-80.6141.3170.3-65.6-175-3.800110.6Q370Q356-Q370 HydrophobicContact CG-CG 4.31Å
357I42.6Very low42Very low104 Ų104114.2 Ų114.253%0.53365%0.654SS.*EExtended strand (participates in β ladder)trans-120.6123172.6-58.7178.7000107.9
358L47.2Very low43Very low93 Ų93111.9 Ų111.949%0.48764%0.643SS.*EExtended strand (participates in β ladder)trans-96138.7174.1-116.269000110W366L358-W366 HydrophobicContact CB-CE3 4.08Å; L358-W366 HydrophobicContact CB-CZ3 4.25Å; L358-W366 HydrophobicContact CD2-CB 4.26Å; L358-W366 HydrophobicContact CD2-CD2 4.24Å; L358-W366 HydrophobicContact CD2-CE3 3.9Å; L358-W366 HydrophobicContact CD2-CG 4.44Å; L358-W366 HydrophobicContact CG-CE3 4.17Å
359F51.8Low43.9Very low105 Ų105108.8 Ų108.846%0.46162%0.624SS.*EExtended strand (participates in β ladder)trans-135.6151.816850.4-91.6000110.7Q367 V369F359-Q367 PolarHBondContact N-O 3.5Å; F359-Q367 PolarHBondContact O-N 3.26Å; F359-V369 HydrophobicContact CE1-CB 4.28Å; F359-V369 HydrophobicContact CE1-CG2 3.98Å; F359-V369 HydrophobicContact CZ-CB 4.46Å; F359-V369 HydrophobicContact CZ-CG2 3.7Å
360K49.9Very low44Very low124 Ų124110.1 Ų110.154%0.53962%0.62SS.*EExtended strand (participates in β ladder)trans-102.4126.3-174.9-162178.3-173.1-176.60109.2G364 E365 W366K360-G364 WeakPolarHBondContact CE-O 3.31Å; K360-E365 WeakPolarHBondContact CA-O 3.42Å; K360-E365 WeakPolarHBondContact CG-O 3.47Å; K360-W366 HydrophobicContact CB-CD2 4.22Å; K360-W366 HydrophobicContact CB-CE3 3.94Å; K360-W366 HydrophobicContact CB-CH2 4.26Å; K360-W366 HydrophobicContact CB-CZ3 3.96Å; K360-W366 HydrophobicContact CD-CZ2 4.14Å; K360-W366 HydrophobicContact CG-CD2 4.25Å; K360-W366 HydrophobicContact CG-CE3 4.47Å
361T59.6Low44.2Very low44 Ų44111.2 Ų111.227%0.2762%0.619SS.*  trans-80.4166.1179.757.80000111S363 G364 E365T361-S363 PolarHBondContact O-N 2.97Å; T361-S363 PolarHBondContact OG1-OG 2.77Å; T361-S363 VanDerWaalsContact OG1-OG 3.09Å; T361-G364 PolarHBondContact O-N 3.36Å; T361-E365 PolarHBondContact N-O 3.48Å; T361-E365 PolarHBondContact OG1-O 3.05Å
362A45.4Very low44.4Very low120 Ų120111.3 Ų111.399%0.99262%0.619SS**THydrogen-bonded Turntrans-65.6-17.6-178.600000114.1G364A362-G364 VanDerWaalsContact C-N 3.3Å
363S55.9Low44.2Very low97 Ų97113.5 Ų113.568%0.67863%0.625SS**THydrogen-bonded Turntrans-79.1-9.9170.853.30000113.6T361T361-S363 PolarHBondContact O-N 2.97Å; T361-S363 PolarHBondContact OG1-OG 2.77Å; T361-S363 VanDerWaalsContact OG1-OG 3.09Å
364G55.3Low44.4Very low37 Ų37114.1 Ų114.138%0.38163%0.626SS.*SBendtrans96.5-1.917400000115.8K360 T361 A362K360-G364 WeakPolarHBondContact CE-O 3.31Å; T361-G364 PolarHBondContact O-N 3.36Å; A362-G364 VanDerWaalsContact C-N 3.3Å
365E40.5Very low44.1Very low142 Ų142112.5 Ų112.566%0.66463%0.626SS**  trans-83.6160.4173.4-70.7-169.4102.800112.7K360 T361K360-E365 WeakPolarHBondContact CA-O 3.42Å; K360-E365 WeakPolarHBondContact CG-O 3.47Å; T361-E365 PolarHBondContact N-O 3.48Å; T361-E365 PolarHBondContact OG1-O 3.05Å
366W54.7Low43.8Very low160 Ų160112.7 Ų112.761%0.60663%0.632SS**EExtended strand (participates in β ladder)trans-101.8128175.7-70.2101.6000110L358 K360L358-W366 HydrophobicContact CB-CE3 4.08Å; L358-W366 HydrophobicContact CB-CZ3 4.25Å; L358-W366 HydrophobicContact CD2-CB 4.26Å; L358-W366 HydrophobicContact CD2-CD2 4.24Å; L358-W366 HydrophobicContact CD2-CE3 3.9Å; L358-W366 HydrophobicContact CD2-CG 4.44Å; L358-W366 HydrophobicContact CG-CE3 4.17Å; K360-W366 HydrophobicContact CB-CD2 4.22Å; K360-W366 HydrophobicContact CB-CE3 3.94Å; K360-W366 HydrophobicContact CB-CH2 4.26Å; K360-W366 HydrophobicContact CB-CZ3 3.96Å; K360-W366 HydrophobicContact CD-CZ2 4.14Å; K360-W366 HydrophobicContact CG-CD2 4.25Å; K360-W366 HydrophobicContact CG-CE3 4.47Å
367Q46.9Very low43.3Very low115 Ų115116.5 Ų116.554%0.53765%0.647SS.*EExtended strand (participates in β ladder)trans-117.2141.3169.5-77.4-179.2-37.300110.6F359F359-Q367 PolarHBondContact N-O 3.5Å; F359-Q367 PolarHBondContact O-N 3.26Å
368S47.8Very low42.5Very low82 Ų82115.7 Ų115.757%0.57366%0.655SS**EExtended strand (participates in β ladder)trans-98.4139.4169.748.70000109.6
369V46.4Very low41.5Very low72 Ų72118.5 Ų118.544%0.43668%0.676SS.*EExtended strand (participates in β ladder)trans-130.2120169178.80000108F359F359-V369 HydrophobicContact CE1-CB 4.28Å; F359-V369 HydrophobicContact CE1-CG2 3.98Å; F359-V369 HydrophobicContact CZ-CB 4.46Å; F359-V369 HydrophobicContact CZ-CG2 3.7Å
370Q38.1Very low40.4Very low138 Ų138118.5 Ų118.565%0.64569%0.689SS**  trans-85.7120.4167.8-71.7175.7-82.300108.2Q356Q356-Q370 HydrophobicContact CG-CG 4.31Å
371L37.7Very low39.7Very low149 Ų149118.9 Ų118.978%0.7871%0.705SS**  trans-77.9139.4167.4-70.8100.9000109.3
372Q34.7Very low38Very low184 Ų184123 Ų12386%0.8673%0.73SS**  trans-134.7121.5178.7-165.4164.81700109.1
373D31.2Very low37.1Very low154 Ų154123.9 Ų123.982%0.82472%0.723SS**  trans-71127.5-175.7-78.2-83.6000112.3G375D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.84Å
374P35.6Very low35.7Very low132 Ų132123.9 Ų123.986%0.85772%0.723SS**  trans-78.274.2175.832.2-35000111.6
375G27.8Very low34.5Very low67 Ų67128.7 Ų128.769%0.69175%0.745SS**  trans-85.9116.517100000112D373D373-G375 VanDerWaalsContact C-N 3.28Å; D373-G375 PolarHBondContact O-N 2.84Å
376S30.6Very low33.8Very low128 Ų128126 Ų12690%0.89575%0.747SS**  trans-154.6135.3172-79.30000111.9
377K28.9Very low33Very low200 Ų200123.4 Ų123.487%0.8775%0.751SS**  trans-143.2128.1176.4-173.6-169.6175.5-168.70110.7
378A27.5Very low32.2Very low87 Ų87124.4 Ų124.472%0.71977%0.765SS**  trans35.1103.7159.300000118.4
379T26Very low32.1Very low151 Ų151125.9 Ų125.993%0.92677%0.773SS**  trans-75.1137.7152.635.10000111.1
380S27Very low31.8Very low105 Ų105127.7 Ų127.773%0.73479%0.786SS**  trans-157.4126.7160.255.70000108.6
381P35.1Very low31.2Very low132 Ų132127.5 Ų127.586%0.85779%0.794SS**  trans-79.7157.1-170.532.1-36.2000113.8
382T24.6Very low30.8Very low131 Ų131125.5 Ų125.580%0.80479%0.793SS**  trans-79.3133.5175.5-55.80000112
383T26.3Very low31.5Very low138 Ų138122 Ų12285%0.84779%0.786SS**  trans-140.5152.2145.9-51.50000108.5
384S26.8Very low32Very low98 Ų98120.4 Ų120.469%0.68578%0.784SS**  trans-111-174.4-157.951.80000113.9
385V29.3Very low31.7Very low137 Ų137119 Ų11983%0.8378%0.783SS**  trans106.2128.4162.3-174.30000116.3
386A26.1Very low31.6Very low87 Ų87119.4 Ų119.472%0.71979%0.788SS**  trans-129.6159.416000000106
387P39.4Very low31.7Very low105 Ų105118.8 Ų118.868%0.68278%0.784SS**  -155.5135.770.237.3-14.7000118.8
388T29.2Very low31.8Very low135 Ų135119 Ų11983%0.82879%0.785SS**  trans72-167.1140.670.10000117.9
389P45.7Very low31.8Very low113 Ų113126.4 Ų126.473%0.73479%0.794SS**  -124.6-161.9-122.433.8-8.1000112.8
390P39.7Very low32.1Very low111 Ų111125.3 Ų125.372%0.72179%0.788SS**  cis-119-175.9-8.537.6-18.4000112.8
391T25.9Very low32.3Very low133 Ų133129.4 Ų129.482%0.81680%0.795SS**  178.1161.187.7-57.20000109.4
392S29.7Very low32.2Very low107 Ų107128.1 Ų128.175%0.74880%0.795SS**  trans-121.3-169.8-175.8650000113.5
393P49.5Very low32.3Very low110 Ų110125.6 Ų125.671%0.71480%0.795SS**  -96.3-178.3-112.443.5-32.4000115
394P42.2Very low32.4Very low121 Ų121123.6 Ų123.679%0.78679%0.793SS**  -134.9147.393.9139.9000113
395A27.8Very low32.7Very low102 Ų102128.8 Ų128.884%0.84380%0.797SS**  70.4119.867.900000115.1
396G26.8Very low32.7Very low77 Ų77131.9 Ų131.979%0.79480%0.8SS**  trans-178.661.5-173.900000119.4
397S32.3Very low32.9Very low115 Ų115134.9 Ų134.980%0.80480%0.799SS**  trans41.7124.1147.9-64.50000124.8
398K30Very low32.5Very low205 Ų205141.4 Ų141.489%0.89181%0.81SS**  trans36128.2133.9-65176.1176.5173.50121.1
399R29.1Very low32.6Very low241 Ų241141.4 Ų141.491%0.90981%0.81SS**  -158.7149.7107.4-157167.7-179177.40.6113
400T31.1Very low31.8Very low129 Ų129144.1 Ų144.179%0.79182%0.817SS**  trans-93.2139175.5-38.60000111.6
401Q32.6Very low31.2Very low190 Ų190143.3 Ų143.389%0.88882%0.82SS**  trans-160.5149.4146.4-120175.710.700111.6
402A31.7Very low31.3Very low105 Ų105146.9 Ų146.987%0.86882%0.824SS**  trans-108.5137.3169.400000108.8
403G28Very low31.3Very low78 Ų78149.7 Ų149.780%0.80483%0.829SS**  trans-158.7147.4-174.200000112.4
404A28.6Very low30.3Very low96 Ų96148.4 Ų148.479%0.79383%0.827SS**  trans-59.1146.9-164.800000116.9
405R32.9Very low29.9Very low207 Ų207148.8 Ų148.878%0.78183%0.83SS**  trans18113.8137.3179.7-175.4174.1-179.9-2.4116.4E407R405-E407 IonicContact CZ-OE2 3.29Å; R405-E407 VanDerWaalsContact CZ-OE2 3.29Å; R405-E407 IonicContact NE-OE2 3.03Å; R405-E407 PolarHBondContact NE-OE2 3.35Å; R405-E407 IonicContact NH2-OE2 2.69Å; R405-E407 PolarHBondContact NH2-OE2 3.42Å
406K29.2Very low30Very low203 Ų203149.1 Ų149.188%0.88383%0.833SS**  trans-126.7131.8147.8-77.2-171.1175.1-179.20110.3
407E28.9Very low30Very low149 Ų149148.8 Ų148.870%0.69683%0.829SS**  trans-73146.3167.9-75.615157.400109.4R405R405-E407 IonicContact CZ-OE2 3.29Å; R405-E407 VanDerWaalsContact CZ-OE2 3.29Å; R405-E407 IonicContact NE-OE2 3.03Å; R405-E407 PolarHBondContact NE-OE2 3.35Å; R405-E407 IonicContact NH2-OE2 2.69Å; R405-E407 PolarHBondContact NH2-OE2 3.42Å
408R31.5Very low29.7Very low243 Ų243147.3 Ų147.392%0.91783%0.832SS**  trans-123.9112.3169-167.1173.3-173.6175.62.8109
409T31.1Very low29.8Very low135 Ų135146.2 Ų146.283%0.82883%0.832SS**  trans-58.8141.9170.3420000110.4
410L29Very low29.8Very low170 Ų170141.9 Ų141.989%0.8983%0.826SS**  trans-125.9132167.8-163.971.1000108.5
411A27.3Very low29.5Very low93 Ų93140.2 Ų140.277%0.76983%0.825SS**  trans-69.5151.5-171.400000112.7
412K27.8Very low29.1Very low209 Ų209140.4 Ų140.491%0.90982%0.823SS**  trans-103.1102-175.1-178.4-177.4177.7-173.20109.8
413I31Very low28.9Very low165 Ų165140 Ų14085%0.84682%0.815SS**PPolyproline II helixtrans-95.2135.8171.9-59.9177.6000108.6
414A28.6Very low29.1Very low83 Ų83142.8 Ų142.869%0.68682%0.818SS**PPolyproline II helixtrans-95150.3-175.600000112.3
415P33.7Very low29.3Very low129 Ų129143 Ų14384%0.83881%0.814SS**PPolyproline II helixtrans-75.8129.9166.931.8-32.1000110.2
416A28.8Very low29.3Very low110 Ų110142.3 Ų142.391%0.90982%0.82SS**PPolyproline II helixtrans-78.5131.8172.700000110.8
417G27.4Very low29.2Very low69 Ų69141.4 Ų141.471%0.71182%0.823SS**  trans-129.8120.4165.700000108.2M419G417-M419 PolarHBondContact O-N 3.44Å
418G26.4Very low29.2Very low84 Ų84141.2 Ų141.287%0.86683%0.827SS**PPolyproline II helixtrans-69.6124.1-173.500000112.4
419M30.8Very low29.4Very low182 Ų182134.3 Ų134.390%0.89782%0.822SS**PPolyproline II helixtrans-92.7124.6166.7-69.5-75.9-73.100108.6G417G417-M419 PolarHBondContact O-N 3.44Å
420I29.7Very low29.4Very low151 Ų151134.3 Ų134.377%0.77482%0.822SS**PPolyproline II helixtrans-89.8120.3165.5-57.8177.1000106.8F422I420-F422 HydrophobicContact CG2-CD2 4.45Å; I420-F422 HydrophobicContact CG2-CE2 4Å
421A24.5Very low29.7Very low94 Ų94135.2 Ų135.278%0.77782%0.822SS**PPolyproline II helixtrans-91141.617600000110.8
422F25.2Very low29.9Very low193 Ų193134.8 Ų134.885%0.84682%0.818SS**  trans-118.4144.9163.9-78.6-84.3000109I420I420-F422 HydrophobicContact CG2-CD2 4.45Å; I420-F422 HydrophobicContact CG2-CE2 4Å
423S26.6Very low30.3Very low98 Ų98130.8 Ų130.869%0.68581%0.811SS**  trans-83.3151.2-174.542.60000112.9S425S423-S425 PolarHBondContact O-N 2.81Å; S423-S425 VanDerWaalsContact O-N 3.14Å
424P33.3Very low30.8Very low136 Ų136130.5 Ų130.588%0.88381%0.806SS**  trans-8681.9-177.834.7-34.8000111.9
425S31.6Very low31.1Very low100 Ų100129.9 Ų129.970%0.69979%0.794SS**  trans-132.2135.4173.6-66.70000111.3S423S423-S425 PolarHBondContact O-N 2.81Å; S423-S425 VanDerWaalsContact O-N 3.14Å
426Q33.3Very low31.3Very low193 Ų193129.1 Ų129.190%0.90278%0.781SS**  trans58.586.3176.7-61.4-174.4-400116.6
427L27.4Very low31.5Very low184 Ų184128.2 Ų128.296%0.96377%0.768SS**  trans-96.498146.7-81.2171.7000108.5
428N29Very low31.9Very low145 Ų145130.5 Ų130.578%0.77576%0.763SS**  trans-82.9145.6164.9-166.27.3000109.3T430N428-T430 PolarHBondContact O-N 2.84Å
429A34.7Very low32.1Very low97 Ų97134.4 Ų134.480%0.80276%0.764SS**  trans-86.599.5-171.900000112.1
430T30.8Very low32.5Very low135 Ų135129.4 Ų129.483%0.82876%0.759SS**  trans-108.1122.9168.6210000111.4N428 A432N428-T430 PolarHBondContact O-N 2.84Å; T430-A432 PolarHBondContact O-N 3.24Å
431Q35.2Very low32.7Very low190 Ų190126.9 Ų126.989%0.88875%0.751SS**  trans-72.4110.6-178-65.8172.6-12.600110.9V433Q431-V433 PolarHBondContact O-N 3.28Å
432A32.4Very low33.1Very low84 Ų84129 Ų12969%0.69474%0.744SS**  trans-90.996.2174.800000110.8T430 Q434T430-A432 PolarHBondContact O-N 3.24Å; A432-Q434 PolarHBondContact O-N 3.4Å
433V37.1Very low33.8Very low124 Ų124124.4 Ų124.475%0.75273%0.732SS**  trans-66.8111.9172.6-179.30000109.3Q431Q431-V433 PolarHBondContact O-N 3.28Å
434Q39.5Very low34.2Very low160 Ų160127 Ų12775%0.74873%0.733SS**  trans-110.7124.2175.2-71-167.6-6.100111.3A432 I436A432-Q434 PolarHBondContact O-N 3.4Å; Q434-I436 PolarHBondContact O-N 3.16Å
435T35.9Very low34.7Very low70 Ų70123.7 Ų123.743%0.42972%0.724SS.*  trans-76.2110.9174-49.30000110.1Q442T435-Q442 HydrophobicContact CG2-CG 4.48Å
436I38Very low35.3Very low112 Ų112122.4 Ų122.457%0.57471%0.712SS**  trans-95.4121.5174.1-53178.2000108.7Q434 I438Q434-I436 PolarHBondContact O-N 3.16Å; I436-I438 HydrophobicContact CG2-CD1 4.32Å; I436-I438 HydrophobicContact CG2-CG1 4.08Å
437S32Very low35.5Very low91 Ų91118.2 Ų118.264%0.63670%0.701SS**EExtended strand (participates in β ladder)trans-101.8106.6179.546.20000111.5
438I35.7Very low36.2Very low118 Ų118112.1 Ų112.161%0.60567%0.672SS**EExtended strand (participates in β ladder)trans-112.4127175.1-57.4177.5000108.3I436 G440 V441I436-I438 HydrophobicContact CG2-CD1 4.32Å; I436-I438 HydrophobicContact CG2-CG1 4.08Å; I438-G440 PolarHBondContact O-N 2.84Å; I438-V441 PolarHBondContact O-N 3.06Å
439N31.7Very low37Very low165 Ų165109.4 Ų109.488%0.88266%0.661SS**THydrogen-bonded Turntrans49.629.4173.2-62-20.6000116.4
440G38.4Very low37.4Very low77 Ų77109.7 Ų109.779%0.79465%0.648SS**THydrogen-bonded Turntrans91.9-4.7169.200000116.4I438I438-G440 PolarHBondContact O-N 2.84Å
441V35.4Very low37.9Very low99 Ų99107.9 Ų107.960%0.664%0.637SS**EExtended strand (participates in β ladder)trans-97.2131.9172.5-1760000109.2I438 V443I438-V441 PolarHBondContact O-N 3.06Å; V441-V443 HydrophobicContact CG1-CG2 4.13Å
442Q33Very low38.1Very low137 Ų137103.9 Ų103.964%0.6462%0.621SS**EExtended strand (participates in β ladder)trans-99.1125.5168.8-66-170.540.500109.2T435T435-Q442 HydrophobicContact CG2-CG 4.48Å
443V38.3Very low38.3Very low98 Ų98104 Ų10459%0.59462%0.622SS**  trans-117.7117171.1-175.30000107.5V441V441-V443 HydrophobicContact CG1-CG2 4.13Å
444Q36.2Very low38.7Very low151 Ų151102.5 Ų102.571%0.70663%0.632SS**  trans-94.8150.4167.8-65.1-172.714.400109.4
445G44.2Very low39.2Very low68 Ų6898 Ų9870%0.70163%0.629SS**  trans107.35.1164.200000118
446V43Very low39.2Very low72 Ų72102.5 Ų102.544%0.43665%0.645SS.*  trans-97.2118.9172.8-172.20000110.4V448 V461V446-V448 PolarHBondContact O-N 2.81Å; V446-V461 HydrophobicContact CG1-CG1 3.79Å
447P37.4Very low39.3Very low105 Ų105104.2 Ų104.268%0.68265%0.65SS**  trans-74.1122.917529.8-32.7000110.5
448V43.4Very low39.6Very low57 Ų57106 Ų10635%0.34565%0.648SS.*EExtended strand (participates in β ladder)trans-111.4112.5176.9-177.40000109.1V446 I450 L459 V461V446-V448 PolarHBondContact O-N 2.81Å; V448-I450 HydrophobicContact CG1-CG1 4.37Å; V448-L459 HydrophobicContact CG1-CD2 3.99Å; V448-V461 HydrophobicContact CG2-CG2 4.24Å
449T44.4Very low39.7Very low88 Ų88105.5 Ų105.554%0.5465%0.647SS.*EExtended strand (participates in β ladder)trans-85.8115.9174.237.40000110.3
450I43.1Very low40.3Very low103 Ų103100.4 Ų100.453%0.52862%0.621SS.*  trans-98.892.9175.5-54176.6000108.6V448 L459V448-I450 HydrophobicContact CG1-CG1 4.37Å; I450-L459 HydrophobicContact CD1-CD2 4.24Å; I450-L459 HydrophobicContact CG1-CD2 4.06Å
451T40.9Very low40.5Very low97 Ų97100.9 Ų100.960%0.59561%0.609SS**  trans-86.5122.2169.840.80000110
452N39.1Very low40.7Very low106 Ų106103.1 Ų103.157%0.56761%0.612SS**EExtended strand (participates in β ladder)trans-110.8100.7179.3-176.42.7000109.5
453A38.1Very low40.9Very low86 Ų86102.1 Ų102.171%0.71162%0.616SS**EExtended strand (participates in β ladder)trans-125.9137.4174.600000109.1G455A453-G455 PolarHBondContact O-N 3.38Å; A453-G455 VanDerWaalsContact O-N 3.14Å
454G45Very low40.9Very low93 Ų93104 Ų10496%0.95963%0.627SS**THydrogen-bonded Turntrans68.76.9177.100000116.3
455G49.5Very low40.8Very low66 Ų66105.3 Ų105.368%0.6863%0.633SS**THydrogen-bonded Turntrans85.615.5173.500000115.8A453A453-G455 PolarHBondContact O-N 3.38Å; A453-G455 VanDerWaalsContact O-N 3.14Å
456Q37.3Very low40.4Very low164 Ų164105.7 Ų105.777%0.76664%0.637SS**EExtended strand (participates in β ladder)trans-115.2144.4163.5-62.7-160.213.900110.5
457Q38.8Very low39.9Very low147 Ų147106.6 Ų106.669%0.68766%0.661SS**EExtended strand (participates in β ladder)trans-93.6112176.5-69.6-177.7-35.400109.3
458H39Very low39.5Very low128 Ų128105.3 Ų105.359%0.59367%0.667SS**  trans-95.2134.8171.2-159.4-111.4000109.8
459L37.9Very low38.8Very low109 Ų109110.4 Ų110.457%0.57169%0.691SS**  trans-118.888.8-174.8-81154.3000109.5V448 I450V448-L459 HydrophobicContact CG1-CD2 3.99Å; I450-L459 HydrophobicContact CD1-CD2 4.24Å; I450-L459 HydrophobicContact CG1-CD2 4.06Å
460T44.5Very low38.1Very low57 Ų57113.6 Ų113.635%0.3570%0.7SS.*EExtended strand (participates in β ladder)trans-87.1119.7173.435.70000111.2
461V42.4Very low37.3Very low88 Ų88116 Ų11653%0.53371%0.714SS.*EExtended strand (participates in β ladder)trans-108.7113.1173.7-176.30000108.1V446 V448V446-V461 HydrophobicContact CG1-CG1 3.79Å; V448-V461 HydrophobicContact CG2-CG2 4.24Å
462Q38.3Very low36.6Very low145 Ų145116.2 Ų116.268%0.67873%0.725SS**  trans-87.1112.7176.1-69.8-174-1.300110.2V464Q462-V464 PolarHBondContact O-N 3.39Å
463T37.8Very low36.1Very low117 Ų117116.3 Ų116.372%0.71874%0.74SS**  trans-86.4100.5173.649.60000110.5
464V37.6Very low35.6Very low136 Ų136117.1 Ų117.182%0.82475%0.747SS**  trans-77.7132.4161.5-69.30000109.6Q462Q462-V464 PolarHBondContact O-N 3.39Å
465H35.8Very low35Very low179 Ų179122.6 Ų122.683%0.82975%0.748SS**  trans-106.4132166.5-89.116.5000109
466G35.3Very low34.1Very low77 Ų77123.1 Ų123.179%0.79475%0.753SS**PPolyproline II helixtrans-70.9156.7-179.700000112.4
467G32.2Very low33.8Very low90 Ų90124.6 Ų124.693%0.92876%0.76SS**PPolyproline II helixtrans-67.7146.8-178.700000113.6
468G29.1Very low33.7Very low79 Ų79123.2 Ų123.281%0.81476%0.763SS**PPolyproline II helixtrans-103.5137.1171.400000112.3
469L28.6Very low33.1Very low163 Ų163121.5 Ų121.585%0.85377%0.771SS**PPolyproline II helixtrans-78.5142.3152.1-72169.7000107.4
470Q29.7Very low32.7Very low156 Ų156123.5 Ų123.573%0.72978%0.781SS**  cis-165.9175.4-2.8-165.11769.200109.3
471L26.1Very low32Very low154 Ų154129.5 Ų129.581%0.80681%0.805SS**  trans83136.5161.4-73.6128000120.9
472A26.1Very low31.5Very low100 Ų100130.4 Ų130.483%0.82681%0.811SS**  trans55.6111.8152.900000119.7
473A28.5Very low31.2Very low109 Ų109129.1 Ų129.190%0.90181%0.809SS**  trans-94.1141.8168.100000112
474A28.7Very low31Very low102 Ų102130.9 Ų130.984%0.84381%0.809SS**  trans-132.7152.1159.300000108.4
475Q32.4Very low30.9Very low209 Ų209129 Ų12998%0.97780%0.798SS**  trans-86.3139.6-161.4-64.3164.4-40.700113.4
476G30.9Very low30.7Very low77 Ų77126.5 Ų126.579%0.79479%0.79SS**  trans176.9121.3171.400000112.7
477Q30.6Very low30.5Very low194 Ų194128.2 Ų128.291%0.90779%0.785SS**  trans-91.9171.6177.2-59.7173.3-61.500111.1
478P37.1Very low30.4Very low118 Ų118130.8 Ų130.877%0.76678%0.777SS**  cis-118.8160.2-46.235.4-24.4000110.7I480P478-I480 PolarHBondContact O-N 3.42Å
479A25.9Very low30.3Very low92 Ų92135.1 Ų135.176%0.7678%0.776SS**  trans-68.2123.7177.900000111.9Q481A479-Q481 PolarHBondContact O-N 3.19Å; A479-Q481 VanDerWaalsContact O-N 3.12Å
480I30.4Very low30.7Very low152 Ų152134.7 Ų134.778%0.77977%0.774SS**  trans-66.5109.7168.6-62.2174.6000108.1P478 V482P478-I480 PolarHBondContact O-N 3.42Å; I480-V482 VanDerWaalsContact C-N 3.34Å; I480-V482 HydrophobicContact CG2-CG2 3.93Å; I480-V482 PolarHBondContact O-N 3.26Å
481Q28.2Very low30.9Very low182 Ų182132.8 Ų132.885%0.8578%0.775SS**  trans-69.290.1169.9-71.7-97.7-62.900109A479 D483A479-Q481 PolarHBondContact O-N 3.19Å; A479-Q481 VanDerWaalsContact O-N 3.12Å; Q481-D483 PolarHBondContact O-N 3.32Å
482V33Very low31.3Very low107 Ų107128.7 Ų128.765%0.64877%0.77SS**  trans-77.581.2167.7-171.50000108I480 Q484I480-V482 VanDerWaalsContact C-N 3.34Å; I480-V482 HydrophobicContact CG2-CG2 3.93Å; I480-V482 PolarHBondContact O-N 3.26Å; V482-Q484 HydrophobicContact CG1-CG 4.01Å; V482-Q484 PolarHBondContact O-N 3.47Å
483D30.7Very low31.7Very low118 Ų118131.8 Ų131.863%0.63177%0.767SS**  trans-6398.4169.1-178.7-106.4000109.2Q481 T485Q481-D483 PolarHBondContact O-N 3.32Å; D483-T485 PolarHBondContact O-N 3.05Å; D483-T485 VanDerWaalsContact O-N 3.09Å; D483-T485 VanDerWaalsContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CG2 3.4Å; D483-T485 PolarHBondContact OD1-N 3.12Å; D483-T485 PolarHBondContact OD1-OG1 3.44Å
484Q35.4Very low32.4Very low154 Ų154132 Ų13272%0.7276%0.759SS**  trans-83.770.2169.8-67.3-169.933.300109.2V482 L486V482-Q484 HydrophobicContact CG1-CG 4.01Å; V482-Q484 PolarHBondContact O-N 3.47Å; Q484-L486 PolarHBondContact O-N 3.44Å
485T34.2Very low33.4Very low98 Ų98131.1 Ų131.160%0.60176%0.76SS**  trans-63.778.9162.121.90000109.2D483 T487D483-T485 PolarHBondContact O-N 3.05Å; D483-T485 VanDerWaalsContact O-N 3.09Å; D483-T485 VanDerWaalsContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CB 3.29Å; D483-T485 WeakPolarHBondContact OD1-CG2 3.4Å; D483-T485 PolarHBondContact OD1-N 3.12Å; D483-T485 PolarHBondContact OD1-OG1 3.44Å; T485-T487 PolarHBondContact O-N 3.07Å; T485-T487 PolarHBondContact O-OG1 3.32Å
486L32.7Very low33.7Very low126 Ų126126.8 Ų126.866%0.6674%0.74SS**  trans-79.667.1-176.7-145.1165.6000109.3Q484 L488Q484-L486 PolarHBondContact O-N 3.44Å; L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 HydrophobicContact CD2-CD1 4.35Å; L486-L488 HydrophobicContact CD2-CG 3.99Å; L486-L488 PolarHBondContact O-N 3.15Å
487T30.1Very low34.3Very low113 Ų113132.9 Ų132.969%0.69375%0.745SS**  trans-67.783.1-174.4-48.80000110.4T485 E489T485-T487 PolarHBondContact O-N 3.07Å; T485-T487 PolarHBondContact O-OG1 3.32Å; T487-E489 PolarHBondContact O-N 3.39Å
488L29.6Very low34.8Very low144 Ų144133.4 Ų133.475%0.75474%0.744SS**  trans-70.876.1170.3-79.5166.3000109.6L486 L490L486-L488 VanDerWaalsContact C-N 3.3Å; L486-L488 HydrophobicContact CD2-CD1 4.35Å; L486-L488 HydrophobicContact CD2-CG 3.99Å; L486-L488 PolarHBondContact O-N 3.15Å; L488-L490 PolarHBondContact O-N 2.97Å
489E26.9Very low35.2Very low169 Ų169137 Ų13779%0.7974%0.742SS**  trans-66.294.3178.9-159.2-167.4134.100110.3T487 P491T487-E489 PolarHBondContact O-N 3.39Å; E489-P491 VanDerWaalsContact O-CD 3.29Å; E489-P491 WeakPolarHBondContact O-CD 3.49Å
490L37.5Very low36.2Very low155 Ų155142.7 Ų142.781%0.81274%0.744SS**  trans-84.5113.5170.8-76.5164.7000108.6L488 G492L488-L490 PolarHBondContact O-N 2.97Å; L490-G492 PolarHBondContact O-N 3.38Å
491P33.8Very low36.7Very low116 Ų116144.4 Ų144.475%0.75375%0.751SS**  trans-7372.8176.829.4-35.5000111.4E489 Q493E489-P491 VanDerWaalsContact O-CD 3.29Å; E489-P491 WeakPolarHBondContact O-CD 3.49Å; P491-Q493 VanDerWaalsContact C-N 3.32Å; P491-Q493 PolarHBondContact O-N 3.1Å
492G34.4Very low37.3Very low68 Ų68139.7 Ų139.770%0.70174%0.743SS**  trans-77.669-17900000113.3L490 P494L490-G492 PolarHBondContact O-N 3.38Å; G492-P494 WeakPolarHBondContact O-CD 3.45Å
493Q35.2Very low37.9Very low164 Ų164138 Ų13877%0.76674%0.735SS**  trans-61.9118.7175.9-82.7-734.100112.2P491P491-Q493 VanDerWaalsContact C-N 3.32Å; P491-Q493 PolarHBondContact O-N 3.1Å
494P42.3Very low38.5Very low114 Ų114139.2 Ų139.274%0.7475%0.747SS**  trans-81136.5179.332-33.2000112.4G492G492-P494 WeakPolarHBondContact O-CD 3.45Å
495G49.7Very low39.1Very low84 Ų84135.5 Ų135.587%0.86674%0.738SS**SBendtrans91.4-9.9158.800000118.9
496E39.4Very low39.7Very low117 Ų117137.8 Ų137.855%0.54775%0.754SS.*  trans-72.5132.9178.1-88.6-131.4109.800113.7K498 R499E496-K498 PolarHBondContact O-N 3.07Å; E496-R499 VanDerWaalsContact CD-NE 3.27Å; E496-R499 IonicContact OE1-CZ 2.72Å; E496-R499 VanDerWaalsContact OE1-CZ 3.22Å; E496-R499 IonicContact OE1-NE 3.68Å; E496-R499 PolarHBondContact OE1-NE 3.43Å; E496-R499 IonicContact OE1-NH2 2.78Å; E496-R499 PolarHBondContact OE1-NH2 3Å; E496-R499 WeakPolarHBondContact OE2-CD 3.33Å; E496-R499 IonicContact OE2-CZ 2.71Å; E496-R499 IonicContact OE2-NE 3.19Å; E496-R499 PolarHBondContact OE2-NE 3.44Å; E496-R499 IonicContact OE2-NH2 3.82Å
497K43.7Very low40.1Very low205 Ų205137.3 Ų137.389%0.89175%0.752SS**  trans-67.282.9178.2-69.7174179.1168.40112.3R499K497-R499 VanDerWaalsContact C-N 3.34Å; K497-R499 PolarHBondContact O-N 3.3Å
498K41.4Very low40.9Very low206 Ų206134.2 Ų134.290%0.89674%0.735SS**  trans22.166169.5-75.7-173.1176175.30114E496 R500E496-K498 PolarHBondContact O-N 3.07Å; K498-R500 PolarHBondContact O-N 3Å
499R44.1Very low41.9Very low192 Ų192136.6 Ų136.673%0.72574%0.739SS**  trans-55.6136.2168.2-66.6-170.2-171.8-126.7-0107.7E496 K497 M501E496-R499 VanDerWaalsContact CD-NE 3.27Å; E496-R499 IonicContact OE1-CZ 2.72Å; E496-R499 VanDerWaalsContact OE1-CZ 3.22Å; E496-R499 IonicContact OE1-NE 3.68Å; E496-R499 PolarHBondContact OE1-NE 3.43Å; E496-R499 IonicContact OE1-NH2 2.78Å; E496-R499 PolarHBondContact OE1-NH2 3Å; E496-R499 WeakPolarHBondContact OE2-CD 3.33Å; E496-R499 IonicContact OE2-CZ 2.71Å; E496-R499 IonicContact OE2-NE 3.19Å; E496-R499 PolarHBondContact OE2-NE 3.44Å; E496-R499 IonicContact OE2-NH2 3.82Å; K497-R499 VanDerWaalsContact C-N 3.34Å; K497-R499 PolarHBondContact O-N 3.3Å; R499-M501 PolarHBondContact O-N 3.35Å
500R47.5Very low43.1Very low213 Ų213132.1 Ų132.180%0.80472%0.72SS**  trans-66.3129.2178.2-74.8-159.5-67.7-101.51.4108.7K498 A502K498-R500 PolarHBondContact O-N 3Å; R500-A502 PolarHBondContact O-N 3.14Å
501M40.4Very low43.8Very low187 Ų187128.7 Ų128.792%0.92172%0.715SS**  trans-40.9124.9173.8-153.676.599.300110.2R499R499-M501 PolarHBondContact O-N 3.35Å
502A41Very low44.6Very low84 Ų84130.6 Ų130.669%0.69472%0.718SS**  trans-64.2157.5-178.900000111R500 T504R500-A502 PolarHBondContact O-N 3.14Å; A502-T504 PolarHBondContact O-N 2.87Å
503C47Very low45.2Very low70 Ų70134.1 Ų134.147%0.47371%0.714SS.*  trans-77.5104.9173.243.80000109.9C505 C508C503-C505 PolarHBondContact O-N 3.28Å; C503-C508 HydrophobicContact CB-CB 3.9Å; C503-C508 WeakPolarHBondContact CB-SG 3.32Å; C503-C508 WeakPolarHBondContact SG-CB 3.29Å; C503-C508 CovalentContact SG-SG 2.04Å; C503-C508 PolarHBondContact SG-SG 3.39Å
504T41.6Very low45.3Very low145 Ų145137.1 Ų137.189%0.8972%0.719SS**  trans-69.922.6173-11.50000113.7A502A502-T504 PolarHBondContact O-N 2.87Å
505C48Very low45.7Very low76 Ų76138.5 Ų138.551%0.51473%0.728SS.*  trans-95127.1-174.2-57.70000110.2C503 N507 C508C503-C505 PolarHBondContact O-N 3.28Å; C505-N507 PolarHBondContact O-N 3.2Å; C505-C508 HydrophobicContact CB-CB 4.39Å; C505-C508 WeakPolarHBondContact O-CB 3.33Å; C505-C508 PolarHBondContact O-N 2.84Å
506P47Very low45.8Very low145 Ų145137.8 Ų137.894%0.94272%0.72SS**THydrogen-bonded Turntrans-70.317.7-176.529.6-36.8000115.3
507N41.5Very low46Very low117 Ų117139 Ų13963%0.62673%0.726SS**THydrogen-bonded Turntrans-144.628.9175.7-150.3-26000111.8C505 K509C505-N507 PolarHBondContact O-N 3.2Å; N507-K509 PolarHBondContact O-N 2.81Å; N507-K509 VanDerWaalsContact O-N 3.12Å
508C47.4Very low46.5Very low48 Ų48135.9 Ų135.932%0.32472%0.724SS.*  trans-83.280.7-177-162.60000112.2C503 C505 D510C503-C508 HydrophobicContact CB-CB 3.9Å; C503-C508 WeakPolarHBondContact CB-SG 3.32Å; C503-C508 WeakPolarHBondContact SG-CB 3.29Å; C503-C508 CovalentContact SG-SG 2.04Å; C503-C508 PolarHBondContact SG-SG 3.39Å; C505-C508 HydrophobicContact CB-CB 4.39Å; C505-C508 WeakPolarHBondContact O-CB 3.33Å; C505-C508 PolarHBondContact O-N 2.84Å; C508-D510 PolarHBondContact O-N 3.45Å
509K49.8Very low47.1Very low193 Ų193128.4 Ų128.484%0.83971%0.705SS**THydrogen-bonded Turntrans-66.422-177.9-62.4-171176.1-173.40116.5N507N507-K509 PolarHBondContact O-N 2.81Å; N507-K509 VanDerWaalsContact O-N 3.12Å
510D53Low47.6Very low75 Ų75128.2 Ų128.240%0.40171%0.709SS.*THydrogen-bonded Turntrans-111.814.9-168.9-105.9-46.3000113.6C508C508-D510 PolarHBondContact O-N 3.45Å
511A51.1Low48.1Very low84 Ų84124.8 Ų124.869%0.69470%0.696SS**SBendtrans-71.6-47.4-174.700000113.9K513A511-K513 PolarHBondContact O-N 3.35Å
512D50.5Low49.6Very low156 Ų156123 Ų12383%0.83468%0.683SS**  trans-87.91.1-162.5-70.3-83.7000117.2R514D512-R514 PolarHBondContact O-N 3.21Å
513K47.1Very low51.5Low141 Ų141121.7 Ų121.761%0.61366%0.663SS**  trans-77.297.4177.2-100.1-175.2179.9-74.10111.8A511 E517A511-K513 PolarHBondContact O-N 3.35Å; K513-E517 IonicContact NZ-OE2 2.8Å; K513-E517 PolarHBondContact NZ-OE2 3.23Å
514R38.1Very low53.2Low228 Ų228121.7 Ų121.786%0.8666%0.657SS**  trans-41149.1168.9-78.3-176.3168.6103.3-5.2113.2D512 G516D512-R514 PolarHBondContact O-N 3.21Å; R514-G516 PolarHBondContact O-N 3.34Å; R514-G516 VanDerWaalsContact O-N 3.11Å
515P50.4Low55.3Low143 Ų143115 Ų11593%0.92962%0.617SS**THydrogen-bonded Turntrans-70107.1-177.529.2-35000112
516G51.9Low56.9Low68 Ų68118.6 Ų118.670%0.70163%0.625SS**THydrogen-bonded Turntrans-173.8-55.5173.900000112.5R514 V518R514-G516 PolarHBondContact O-N 3.34Å; R514-G516 VanDerWaalsContact O-N 3.11Å; G516-V518 PolarHBondContact O-N 3.47Å
517E43.9Very low58.6Low143 Ų143114.4 Ų114.467%0.66860%0.597SS**  trans-74.8113.2172.4-81.6-162.9100.700111.6K513 G519K513-E517 IonicContact NZ-OE2 2.8Å; K513-E517 PolarHBondContact NZ-OE2 3.23Å; E517-G519 PolarHBondContact O-N 2.71Å
518V54.7Low60.3Low140 Ų140113.7 Ų113.785%0.84861%0.607SS**  trans-7950.6164.3-166.10000110.2G516 K520G516-V518 PolarHBondContact O-N 3.47Å; V518-K520 PolarHBondContact O-N 2.71Å
519G53.2Low61.7Low48 Ų48115.7 Ų115.750%0.49564%0.636SS.*  trans-59.6123.5166.500000109E517 R521E517-G519 PolarHBondContact O-N 2.71Å; G519-R521 PolarHBondContact O-N 3.4Å
520K54.9Low63.1Low188 Ų188107 Ų10782%0.81760%0.599SS**  trans-70.689.5-173.8-67.1158.8-172.1160.60109.4V518 K522V518-K520 PolarHBondContact O-N 2.71Å; K520-K522 PolarHBondContact O-N 2.92Å; K520-K522 VanDerWaalsContact O-N 3.13Å
521R57.9Low64.3Low141 Ų141111.6 Ų111.653%0.53262%0.619SS.*  trans-43.4119.3177.9-66-168.3-169.5-177.6-1.3109.5G519G519-R521 PolarHBondContact O-N 3.4Å
522K72.8Confident65.7Low149 Ų149113.5 Ų113.565%0.64861%0.611SS**  trans-82123.9-173.6-62.2177.4-172.9170.80108K520 I524K520-K522 PolarHBondContact O-N 2.92Å; K520-K522 VanDerWaalsContact O-N 3.13Å; K522-I524 HydrophobicContact CB-CG1 4.38Å; K522-I524 PolarHBondContact O-N 3Å
523H80.4Confident67.4Low58 Ų58110 Ų11027%0.26960%0.595SS.*EExtended strand (participates in β ladder)trans-84.794.7176.6-61-66000108.8F534 T537 L540H523-F534 HydrophobicContact CB-CB 4.33Å; H523-F534 WeakPolarHBondContact CB-O 3.34Å; H523-F534 PolarHBondContact N-O 3.39Å; H523-F534 PolarHBondContact O-N 2.96Å; H523-T537 PolarHBondContact CD2-N 3.31Å; H523-T537 VanDerWaalsContact CD2-N 3.28Å; H523-T537 WeakPolarHBondContact CE1-CG2 3.47Å; H523-L540 HydrophobicContact CB-CB 4.02Å; H523-L540 HydrophobicContact CB-CD2 3.86Å
524I82.1Confident69.2Low70 Ų70105.4 Ų105.436%0.35958%0.576SS.*EExtended strand (participates in β ladder)trans-81.4139.9-176.9-47.2-171.3000109.8K522 H526 T533 L540K522-I524 HydrophobicContact CB-CG1 4.38Å; K522-I524 PolarHBondContact O-N 3Å; I524-H526 PolarHBondContact O-CE1 2.78Å; I524-H526 VanDerWaalsContact O-CE1 3.29Å; I524-H526 PolarHBondContact O-ND1 3.45Å; I524-T533 HydrophobicContact CB-CG2 4.39Å; I524-T533 HydrophobicContact CD1-CG2 4.3Å; I524-T533 HydrophobicContact CG1-CG2 3.88Å; I524-T533 HydrophobicContact CG2-CG2 4.18Å; I524-L540 WeakPolarHBondContact O-CD2 3.28Å
525C86Confident71.3Confident5 Ų5104.4 Ų104.43%0.03457%0.572CS.*  trans-82.1130.2167.5-167.10000109.4C530 K532 F534 L540 H543C525-C530 VanDerWaalsContact CB-O 3.28Å; C525-C530 WeakPolarHBondContact CB-O 3.41Å; C525-C530 VanDerWaalsContact O-O 3.08Å; C525-K532 WeakPolarHBondContact CB-O 3.47Å; C525-K532 PolarHBondContact N-O 3.29Å; C525-F534 HydrophobicContact CB-CE2 4.43Å; C525-L540 HydrophobicContact CB-CD1 3.64Å; C525-H543 VanDerWaalsContact SG-CD2 3.51Å; C525-H543 PolarHBondContact SG-NE2 2.8Å; C525-H543 VanDerWaalsContact SG-NE2 3.44Å
526H81.2Confident72.7Confident150 Ų150103.8 Ų103.869%0.69455%0.554SS**  trans-109.918.9-175-61.677.7000111.7I524I524-H526 PolarHBondContact O-CE1 2.78Å; I524-H526 VanDerWaalsContact O-CE1 3.29Å; I524-H526 PolarHBondContact O-ND1 3.45Å
527V83.1Confident74.1Confident58 Ų58104.2 Ų104.235%0.35254%0.544SS..BIsolated β-bridgetrans-76.8134.8172.41770000108.1G529 C530 H547V527-G529 PolarHBondContact O-N 3.37Å; V527-C530 HydrophobicContact CB-CB 4.5Å; V527-C530 PolarHBondContact O-N 2.92Å; V527-H547 HydrophobicContact CG1-CB 4.23Å; V527-H547 HydrophobicContact CG2-CB 4.36Å
528A77.6Confident75.8Confident101 Ų101100.9 Ų100.984%0.83554%0.536SS*.THydrogen-bonded Turntrans-51.2133.4178.600000111.1C530A528-C530 VanDerWaalsContact C-N 3.31Å; A528-C530 PolarHBondContact O-N 3.42Å
529G75.7Confident77.2Confident91 Ų9197.5 Ų97.594%0.93851%0.513SS*.THydrogen-bonded Turntrans71.912.2-174.700000115.7V527V527-G529 PolarHBondContact O-N 3.37Å
530C78.8Confident78.7Confident9 Ų996.8 Ų96.86%0.06150%0.498CS..BIsolated β-bridgetrans-142.675.3-178.3-145.40000116.6C525 V527 A528 K532 H547C525-C530 VanDerWaalsContact CB-O 3.28Å; C525-C530 WeakPolarHBondContact CB-O 3.41Å; C525-C530 VanDerWaalsContact O-O 3.08Å; V527-C530 HydrophobicContact CB-CB 4.5Å; V527-C530 PolarHBondContact O-N 2.92Å; A528-C530 VanDerWaalsContact C-N 3.31Å; A528-C530 PolarHBondContact O-N 3.42Å; C530-K532 PolarHBondContact O-N 3.12Å; C530-H547 WeakPolarHBondContact CB-NE2 3.49Å; C530-H547 PolarHBondContact SG-CE1 2.81Å; C530-H547 PolarHBondContact SG-NE2 2.7Å; C530-H547 VanDerWaalsContact SG-NE2 3.41Å
531E78.9Confident80Confident173 Ų17396.7 Ų96.781%0.80849%0.492SS*.  trans-73.322.7-179.7-51.7-175.1156.400115.4T533E531-T533 WeakPolarHBondContact O-CG2 3.49Å; E531-T533 PolarHBondContact O-N 2.96Å
532K81.3Confident81.1Confident124 Ų12490.9 Ų90.954%0.53947%0.474SS..  trans-68.6124.8-169.7-70176.2-175163.20111.1C525 C530 F534C525-K532 WeakPolarHBondContact CB-O 3.47Å; C525-K532 PolarHBondContact N-O 3.29Å; C530-K532 PolarHBondContact O-N 3.12Å; K532-F534 HydrophobicContact CB-CE2 3.66Å; K532-F534 HydrophobicContact CB-CZ 3.82Å; K532-F534 VanDerWaalsContact O-CD2 3.31Å; K532-F534 WeakPolarHBondContact O-CD2 3.09Å; K532-F534 WeakPolarHBondContact O-CE2 3.33Å
533T84.9Confident81.6Confident81 Ų8184.5 Ų84.550%0.49745%0.446SS..EExtended strand (participates in β ladder)trans-100.3135.5-177.773.70000112.5I524 E531I524-T533 HydrophobicContact CB-CG2 4.39Å; I524-T533 HydrophobicContact CD1-CG2 4.3Å; I524-T533 HydrophobicContact CG1-CG2 3.88Å; I524-T533 HydrophobicContact CG2-CG2 4.18Å; E531-T533 WeakPolarHBondContact O-CG2 3.49Å; E531-T533 PolarHBondContact O-N 2.96Å
534F84.8Confident81.7Confident46 Ų4684.1 Ų84.120%0.20245%0.448CS..EExtended strand (participates in β ladder)trans-123.7144.6-173.4-62.4-85.9000112.8H523 C525 K532 K536 L539 L540 H543H523-F534 HydrophobicContact CB-CB 4.33Å; H523-F534 WeakPolarHBondContact CB-O 3.34Å; H523-F534 PolarHBondContact N-O 3.39Å; H523-F534 PolarHBondContact O-N 2.96Å; C525-F534 HydrophobicContact CB-CE2 4.43Å; K532-F534 HydrophobicContact CB-CE2 3.66Å; K532-F534 HydrophobicContact CB-CZ 3.82Å; K532-F534 VanDerWaalsContact O-CD2 3.31Å; K532-F534 WeakPolarHBondContact O-CD2 3.09Å; K532-F534 WeakPolarHBondContact O-CE2 3.33Å; F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.39Å; F534-L539 HydrophobicContact CB-CB 4.13Å; F534-L539 HydrophobicContact CD1-CB 3.83Å; F534-L539 HydrophobicContact CG-CB 4.26Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.09Å; F534-L540 HydrophobicContact CD2-CD1 3.93Å; F534-L540 HydrophobicContact CE2-CD1 4.23Å; F534-L540 HydrophobicContact CG-CB 4.36Å; F534-H543 HydrophobicContact CE1-CB 4.03Å; F534-H543 HydrophobicContact CE2-CB 3.86Å; F534-H543 AromaticContact CE2-CD2 3.24Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.21Å; F534-H543 AromaticContact CE2-CG 3.62Å; F534-H543 HydrophobicContact CZ-CB 3.48Å; F534-H543 VanDerWaalsContact CZ-CB 3.48Å; F534-H543 AromaticContact CZ-CD2 3.42Å; F534-H543 VanDerWaalsContact CZ-CD2 3.42Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.31Å; F534-H543 AromaticContact CZ-CG 3.31Å
535R82.5Confident81.6Confident206 Ų20684.4 Ų84.478%0.77745%0.445SS*.SBendtrans-80.4-4.2179-63.3-177.6-179.9-179.4-0.3114.7
536K80.1Confident81.3Confident131 Ų13189.5 Ų89.557%0.5747%0.471SS*.SBendtrans-148.7141.2-179.9-63.1-172.5177.5-174.20110.8F534 S538 L539 L540F534-K536 VanDerWaalsContact C-N 3.31Å; F534-K536 PolarHBondContact O-N 3.39Å; K536-S538 PolarHBondContact O-N 2.85Å; K536-L539 HydrophobicContact CB-CD1 4.19Å; K536-L539 HydrophobicContact CB-CG 4.2Å; K536-L539 HydrophobicContact CG-CD1 4.48Å; K536-L539 PolarHBondContact O-N 2.72Å; K536-L539 VanDerWaalsContact O-N 3.08Å; K536-L540 PolarHBondContact O-N 3.26Å
537T81.3Confident81.1Confident77 Ų7786.1 Ų86.147%0.47246%0.455SS..Hα-helixtrans-54.4-38.3173.550.10000113H523 L539 L540 R541H523-T537 PolarHBondContact CD2-N 3.31Å; H523-T537 VanDerWaalsContact CD2-N 3.28Å; H523-T537 WeakPolarHBondContact CE1-CG2 3.47Å; T537-L539 VanDerWaalsContact C-N 3.31Å; T537-L539 PolarHBondContact O-N 3.3Å; T537-L540 PolarHBondContact O-N 2.92Å; T537-R541 WeakPolarHBondContact O-CG 3.04Å; T537-R541 PolarHBondContact O-N 2.84Å
538S80.8Confident80.8Confident73 Ų7387.4 Ų87.451%0.5146%0.463SS..Hα-helixtrans-65-32.1178.2540000113.3K536 A542K536-S538 PolarHBondContact O-N 2.85Å; S538-A542 VanDerWaalsContact O-CB 3.29Å; S538-A542 WeakPolarHBondContact O-CB 3.5Å; S538-A542 PolarHBondContact O-N 2.93Å
539L83.4Confident80.7Confident68 Ų6885 Ų8536%0.35645%0.448SS..Hα-helixtrans-74.3-40174.6-66.2173.6000111.2F534 K536 T537 A542 H543F534-L539 HydrophobicContact CB-CB 4.13Å; F534-L539 HydrophobicContact CD1-CB 3.83Å; F534-L539 HydrophobicContact CG-CB 4.26Å; K536-L539 HydrophobicContact CB-CD1 4.19Å; K536-L539 HydrophobicContact CB-CG 4.2Å; K536-L539 HydrophobicContact CG-CD1 4.48Å; K536-L539 PolarHBondContact O-N 2.72Å; K536-L539 VanDerWaalsContact O-N 3.08Å; T537-L539 VanDerWaalsContact C-N 3.31Å; T537-L539 PolarHBondContact O-N 3.3Å; L539-A542 PolarHBondContact O-N 3.02Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 2.78Å
540L84.9Confident80.8Confident34 Ų3485.9 Ų85.918%0.17843%0.428CS..Hα-helixtrans-61.3-49.1172.3174.660000111.1H523 I524 C525 F534 K536 T537 A542 H543 V544H523-L540 HydrophobicContact CB-CB 4.02Å; H523-L540 HydrophobicContact CB-CD2 3.86Å; I524-L540 WeakPolarHBondContact O-CD2 3.28Å; C525-L540 HydrophobicContact CB-CD1 3.64Å; F534-L540 HydrophobicContact CB-CB 4.29Å; F534-L540 HydrophobicContact CD2-CB 4.09Å; F534-L540 HydrophobicContact CD2-CD1 3.93Å; F534-L540 HydrophobicContact CE2-CD1 4.23Å; F534-L540 HydrophobicContact CG-CB 4.36Å; K536-L540 PolarHBondContact O-N 3.26Å; T537-L540 PolarHBondContact O-N 2.92Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-A542 PolarHBondContact O-N 3.46Å; L540-H543 CarbonylContact O-C 3.57Å; L540-H543 WeakPolarHBondContact O-CA 3.49Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; L540-V544 HydrophobicContact CD1-CG2 3.94Å; L540-V544 HydrophobicContact CG-CG2 4.37Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.92Å
541R81.4Confident80.8Confident186 Ų18691.7 Ų91.770%0.70245%0.448SS*.Hα-helixtrans-57.9-43.5176.5-73178.4177.2-178.2-2.5112.2T537 H543 V544 R545T537-R541 WeakPolarHBondContact O-CG 3.04Å; T537-R541 PolarHBondContact O-N 2.84Å; R541-H543 VanDerWaalsContact C-N 3.27Å; R541-H543 PolarHBondContact O-N 3.41Å; R541-V544 PolarHBondContact O-N 2.93Å; R541-R545 WeakPolarHBondContact O-CG 3.49Å; R541-R545 PolarHBondContact O-N 3.12Å
542A81.4Confident80.8Confident18 Ų1886.4 Ų86.415%0.14943%0.429CS..Hα-helixtrans-68.3-24.2175.900000113.7S538 L539 L540 R566S538-A542 VanDerWaalsContact O-CB 3.29Å; S538-A542 WeakPolarHBondContact O-CB 3.5Å; S538-A542 PolarHBondContact O-N 2.93Å; L539-A542 PolarHBondContact O-N 3.02Å; L540-A542 VanDerWaalsContact C-N 3.33Å; L540-A542 PolarHBondContact O-N 3.46Å; A542-R566 HydrophobicContact CB-CG 3.88Å
543H83.7Confident80.8Confident15 Ų1583.6 Ų83.67%0.06942%0.417CS..Hα-helixtrans-80.8-40.8173.4168.655.2000112.5C525 F534 L539 L540 R541 R545 L546 H547C525-H543 VanDerWaalsContact SG-CD2 3.51Å; C525-H543 PolarHBondContact SG-NE2 2.8Å; C525-H543 VanDerWaalsContact SG-NE2 3.44Å; F534-H543 HydrophobicContact CE1-CB 4.03Å; F534-H543 HydrophobicContact CE2-CB 3.86Å; F534-H543 AromaticContact CE2-CD2 3.24Å; F534-H543 WeakPolarHBondContact CE2-CD2 3.21Å; F534-H543 AromaticContact CE2-CG 3.62Å; F534-H543 HydrophobicContact CZ-CB 3.48Å; F534-H543 VanDerWaalsContact CZ-CB 3.48Å; F534-H543 AromaticContact CZ-CD2 3.42Å; F534-H543 VanDerWaalsContact CZ-CD2 3.42Å; F534-H543 WeakPolarHBondContact CZ-CD2 3.31Å; F534-H543 AromaticContact CZ-CG 3.31Å; L539-H543 WeakPolarHBondContact O-CB 3.5Å; L539-H543 PolarHBondContact O-N 2.78Å; L540-H543 CarbonylContact O-C 3.57Å; L540-H543 WeakPolarHBondContact O-CA 3.49Å; L540-H543 WeakPolarHBondContact O-CB 3.45Å; L540-H543 PolarHBondContact O-N 3.19Å; R541-H543 VanDerWaalsContact C-N 3.27Å; R541-H543 PolarHBondContact O-N 3.41Å; H543-R545 PolarHBondContact O-N 3.22Å; H543-L546 WeakPolarHBondContact O-CA 3.47Å; H543-L546 WeakPolarHBondContact O-CB 3.4Å; H543-L546 PolarHBondContact O-N 3.4Å; H543-H547 AromaticContact CE1-CD2 3.99Å; H543-H547 AromaticContact CE1-CE1 3.83Å; H543-H547 AromaticContact CE1-NE2 3.22Å; H543-H547 PolarHBondContact CE1-NE2 2.9Å; H543-H547 AromaticContact NE2-CD2 3.85Å; H543-H547 AromaticContact NE2-NE2 3.12Å; H543-H547 PolarHBondContact NE2-NE2 3.24Å; H543-H547 VanDerWaalsContact NE2-NE2 3.12Å
544V81.1Confident80.8Confident50 Ų5083.1 Ų83.130%0.30341%0.414SS..Hα-helixtrans-59.7-33.2176172.10000111.2L540 R541 L546 H547 T548L540-V544 HydrophobicContact CD1-CG2 3.94Å; L540-V544 HydrophobicContact CG-CG2 4.37Å; L540-V544 WeakPolarHBondContact O-CG2 3.46Å; L540-V544 PolarHBondContact O-N 2.92Å; R541-V544 PolarHBondContact O-N 2.93Å; V544-L546 PolarHBondContact O-N 3.44Å; V544-L546 VanDerWaalsContact O-N 3.14Å; V544-H547 WeakPolarHBondContact O-CA 3.29Å; V544-H547 WeakPolarHBondContact O-CB 3.46Å; V544-H547 PolarHBondContact O-N 3.38Å; V544-T548 HydrophobicContact CG1-CG2 4.29Å; V544-T548 PolarHBondContact O-N 3.42Å; V544-T548 PolarHBondContact O-OG1 2.99Å
545R81.2Confident81Confident77 Ų7781.3 Ų81.329%0.29141%0.407SS..Hα-helixtrans-61.7-13.9170.1-71.3-176.6177.8162.90.3115.8R541 H543 T548 G549 E550 T565R541-R545 WeakPolarHBondContact O-CG 3.49Å; R541-R545 PolarHBondContact O-N 3.12Å; H543-R545 PolarHBondContact O-N 3.22Å; R545-T548 WeakPolarHBondContact CA-OG1 3.43Å; R545-G549 CarbonylContact O-C 3.29Å; R545-G549 PolarHBondContact O-N 3.02Å; R545-E550 HydrophobicContact CB-CB 4.33Å; R545-E550 HydrophobicContact CG-CB 4.04Å; R545-E550 IonicContact NE-OE2 3.28Å; R545-E550 PolarHBondContact O-N 2.79Å; R545-T565 HydrophobicContact CB-CG2 4.26Å; R545-T565 PolarHBondContact NH1-O 3.41Å
546L78.9Confident81Confident111 Ų11179.5 Ų79.558%0.58141%0.413SS*.Hα-helixtrans-81-28.1170.5-58170.1000111.2H543 V544 T565H543-L546 WeakPolarHBondContact O-CA 3.47Å; H543-L546 WeakPolarHBondContact O-CB 3.4Å; H543-L546 PolarHBondContact O-N 3.4Å; V544-L546 PolarHBondContact O-N 3.44Å; V544-L546 VanDerWaalsContact O-N 3.14Å; L546-T565 HydrophobicContact CD2-CG2 3.99Å
547H77.6Confident81.2Confident79 Ų7978.2 Ų78.237%0.36640%0.404SS..Hα-helixtrans-82-41.7175.4-61.3-52.7000111.8V527 C530 H543 V544 G549V527-H547 HydrophobicContact CG1-CB 4.23Å; V527-H547 HydrophobicContact CG2-CB 4.36Å; C530-H547 WeakPolarHBondContact CB-NE2 3.49Å; C530-H547 PolarHBondContact SG-CE1 2.81Å; C530-H547 PolarHBondContact SG-NE2 2.7Å; C530-H547 VanDerWaalsContact SG-NE2 3.41Å; H543-H547 AromaticContact CE1-CD2 3.99Å; H543-H547 AromaticContact CE1-CE1 3.83Å; H543-H547 AromaticContact CE1-NE2 3.22Å; H543-H547 PolarHBondContact CE1-NE2 2.9Å; H543-H547 AromaticContact NE2-CD2 3.85Å; H543-H547 AromaticContact NE2-NE2 3.12Å; H543-H547 PolarHBondContact NE2-NE2 3.24Å; H543-H547 VanDerWaalsContact NE2-NE2 3.12Å; V544-H547 WeakPolarHBondContact O-CA 3.29Å; V544-H547 WeakPolarHBondContact O-CB 3.46Å; V544-H547 PolarHBondContact O-N 3.38Å; H547-G549 VanDerWaalsContact C-N 3.28Å; H547-G549 PolarHBondContact O-N 2.89Å
548T76.6Confident80.9Confident86 Ų8681.7 Ų81.753%0.52843%0.425SS..SBendtrans-82-1.1177.4620000114V544 R545 E550V544-T548 HydrophobicContact CG1-CG2 4.29Å; V544-T548 PolarHBondContact O-N 3.42Å; V544-T548 PolarHBondContact O-OG1 2.99Å; R545-T548 WeakPolarHBondContact CA-OG1 3.43Å; T548-E550 PolarHBondContact O-N 3.16Å; T548-E550 WeakPolarHBondContact OG1-CG 3.44Å
549G76.5Confident80.9Confident50 Ų5086.3 Ų86.352%0.51544%0.437SS..  trans65.7-0.1-177.400000115.7R545 H547 R551R545-G549 CarbonylContact O-C 3.29Å; R545-G549 PolarHBondContact O-N 3.02Å; H547-G549 VanDerWaalsContact C-N 3.28Å; H547-G549 PolarHBondContact O-N 2.89Å; G549-R551 WeakPolarHBondContact O-CG 3.44Å; G549-R551 PolarHBondContact O-N 3.16Å; G549-R551 VanDerWaalsContact O-N 3.1Å
550E75.8Confident81.1Confident109 Ų10984.2 Ų84.251%0.50943%0.427SS..  trans-61.8110-173.8-78.8-167.5152.200113.1R545 T548 P552 T565R545-E550 HydrophobicContact CB-CB 4.33Å; R545-E550 HydrophobicContact CG-CB 4.04Å; R545-E550 IonicContact NE-OE2 3.28Å; R545-E550 PolarHBondContact O-N 2.79Å; T548-E550 PolarHBondContact O-N 3.16Å; T548-E550 WeakPolarHBondContact OG1-CG 3.44Å; E550-P552 WeakPolarHBondContact O-CD 3.45Å; E550-T565 WeakPolarHBondContact O-CG2 3.38Å
551R79.3Confident80.8Confident131 Ų13185 Ų8549%0.49444%0.443SS..  trans-113.476.5176.6-65.7162.180.8159.53.4110.4G549 R563 F564 T565G549-R551 WeakPolarHBondContact O-CG 3.44Å; G549-R551 PolarHBondContact O-N 3.16Å; G549-R551 VanDerWaalsContact O-N 3.1Å; R551-R563 HydrophobicContact CB-CB 3.57Å; R551-R563 VanDerWaalsContact CZ-O 3.25Å; R551-R563 PolarHBondContact NE-O 3.07Å; R551-R563 PolarHBondContact NH2-O 2.76Å; R551-R563 PolarHBondContact O-NE 3.32Å; R551-R563 PolarHBondContact O-NH2 3.3Å; R551-F564 CarbonylContact C-O 3.58Å; R551-F564 WeakPolarHBondContact CA-O 3.44Å; R551-T565 HydrophobicContact CG-CG2 3.8Å
552P79.4Confident80.9Confident63 Ų6381.9 Ų81.941%0.40944%0.435SS..  trans-74.5-21-17629.8-36.1000113.7E550 V554E550-P552 WeakPolarHBondContact O-CD 3.45Å; P552-V554 PolarHBondContact O-N 3.31Å
553F81.8Confident81.1Confident64 Ų6487.2 Ų87.228%0.28145%0.451SS..EExtended strand (participates in β ladder)trans-91.297.5-177.8-60.2-74.2000110.4R563 F564 T565 L570F553-R563 CarbonylContact O-C 3.5Å; F553-R563 WeakPolarHBondContact O-CA 3.36Å; F553-F564 HydrophobicContact CB-CB 4.25Å; F553-F564 WeakPolarHBondContact CB-O 3.41Å; F553-F564 PolarHBondContact N-O 2.86Å; F553-F564 VanDerWaalsContact N-O 3.07Å; F553-F564 PolarHBondContact O-N 3.36Å; F553-T565 WeakPolarHBondContact CE2-O 3.23Å; F553-L570 HydrophobicContact CB-CB 4.04Å; F553-L570 HydrophobicContact CB-CD2 3.8Å
554V84.3Confident81.2Confident71 Ų7188 Ų8843%0.4345%0.454SS..EExtended strand (participates in β ladder)trans-87.6143.9179.5-170.50000110.6P552 N556 R563 L570P552-V554 PolarHBondContact O-N 3.31Å; V554-N556 PolarHBondContact O-N 2.99Å; V554-R563 HydrophobicContact CG1-CG 4.31Å; V554-R563 HydrophobicContact CG2-CG 4.13Å; V554-L570 WeakPolarHBondContact O-CD1 3.41Å; V554-L570 WeakPolarHBondContact O-CD2 3.34Å
555C89.4Confident81.2Confident9 Ų986.9 Ų86.96%0.06145%0.448CS..  trans-69.5118.6168.8-167.80000110.4W557 C560 K562 L570 H573 H577C555-W557 PolarHBondContact O-N 2.94Å; C555-C560 HydrophobicContact CB-CB 4.48Å; C555-K562 VanDerWaalsContact CB-O 3.29Å; C555-K562 WeakPolarHBondContact CB-O 3.45Å; C555-K562 PolarHBondContact N-O 2.92Å; C555-L570 HydrophobicContact CB-CD1 4.19Å; C555-H573 PolarHBondContact SG-NE2 3.26Å; C555-H573 VanDerWaalsContact SG-NE2 3.42Å; C555-H577 PolarHBondContact SG-NE2 3.34Å
556N83.1Confident81.3Confident167 Ų16787.9 Ų87.989%0.89345%0.452SS*.SBendtrans-70.817.4176.1-158.983.1000113.6V554V554-N556 PolarHBondContact O-N 2.99Å
557W82.6Confident81.5Confident104 Ų10485.9 Ų85.939%0.39445%0.447SS..  trans-105114.5178.7-164.6-69.5000108.8C555 F559 C560 H577C555-W557 PolarHBondContact O-N 2.94Å; W557-F559 AromaticContact CD1-CD1 4Å; W557-F559 AromaticContact CD1-CD2 3.57Å; W557-F559 AromaticContact CD1-CE2 3.61Å; W557-F559 AromaticContact CD1-CG 3.78Å; W557-F559 AromaticContact CD1-CZ 3.88Å; W557-F559 AromaticContact CE2-CE1 3.95Å; W557-F559 AromaticContact CE2-CZ 3.71Å; W557-F559 HydrophobicContact CZ2-CE1 4.21Å; W557-F559 AromaticContact CZ2-CZ 3.99Å; W557-F559 HydrophobicContact CZ2-CZ 3.99Å; W557-F559 AromaticContact NE1-CD1 3.41Å; W557-F559 AromaticContact NE1-CD2 3.52Å; W557-F559 AromaticContact NE1-CE1 3.08Å; W557-F559 AromaticContact NE1-CE2 3.18Å; W557-F559 AromaticContact NE1-CG 3.64Å; W557-F559 AromaticContact NE1-CZ 2.97Å; W557-F559 PolarHBondContact O-N 2.76Å; W557-C560 HydrophobicContact CB-CB 4.1Å; W557-C560 VanDerWaalsContact O-CB 3.31Å; W557-C560 WeakPolarHBondContact O-CB 3.25Å; W557-C560 PolarHBondContact O-N 2.98Å; W557-H577 HydrophobicContact CD2-CB 3.78Å; W557-H577 AromaticContact CD2-CD2 3.89Å; W557-H577 AromaticContact CD2-CG 3.77Å; W557-H577 HydrophobicContact CE3-CB 3.43Å; W557-H577 VanDerWaalsContact CE3-CB 3.43Å; W557-H577 AromaticContact CE3-CD2 3.95Å; W557-H577 AromaticContact CE3-CG 3.85Å; W557-H577 HydrophobicContact CG-CB 4.5Å; W557-H577 AromaticContact CG-CD2 3.75Å; W557-H577 AromaticContact CG-CG 3.98Å; W557-H577 AromaticContact CG-NE2 4Å; W557-H577 HydrophobicContact CH2-CB 4.02Å; W557-H577 HydrophobicContact CZ2-CB 4.33Å; W557-H577 HydrophobicContact CZ3-CB 3.57Å
558V76.8Confident81.8Confident150 Ų15084.9 Ų84.991%0.90944%0.444SS*.THydrogen-bonded Turntrans-52.4-55-164.6-177.30000112.3C560V558-C560 PolarHBondContact O-N 3.47Å
559F80.2Confident82.2Confident171 Ų17183.7 Ų83.775%0.7543%0.433SS*.THydrogen-bonded Turntrans-71.84.5-179.363.6-125.1000115.2W557W557-F559 AromaticContact CD1-CD1 4Å; W557-F559 AromaticContact CD1-CD2 3.57Å; W557-F559 AromaticContact CD1-CE2 3.61Å; W557-F559 AromaticContact CD1-CG 3.78Å; W557-F559 AromaticContact CD1-CZ 3.88Å; W557-F559 AromaticContact CE2-CE1 3.95Å; W557-F559 AromaticContact CE2-CZ 3.71Å; W557-F559 HydrophobicContact CZ2-CE1 4.21Å; W557-F559 AromaticContact CZ2-CZ 3.99Å; W557-F559 HydrophobicContact CZ2-CZ 3.99Å; W557-F559 AromaticContact NE1-CD1 3.41Å; W557-F559 AromaticContact NE1-CD2 3.52Å; W557-F559 AromaticContact NE1-CE1 3.08Å; W557-F559 AromaticContact NE1-CE2 3.18Å; W557-F559 AromaticContact NE1-CG 3.64Å; W557-F559 AromaticContact NE1-CZ 2.97Å; W557-F559 PolarHBondContact O-N 2.76Å
560C86.3Confident82.8Confident23 Ų2383.1 Ų83.116%0.15542%0.417CS..THydrogen-bonded Turntrans-103.6-44.2-175-162.10000114.7C555 W557 V558 K562 H573 H577C555-C560 HydrophobicContact CB-CB 4.48Å; W557-C560 HydrophobicContact CB-CB 4.1Å; W557-C560 VanDerWaalsContact O-CB 3.31Å; W557-C560 WeakPolarHBondContact O-CB 3.25Å; W557-C560 PolarHBondContact O-N 2.98Å; V558-C560 PolarHBondContact O-N 3.47Å; C560-K562 PolarHBondContact O-N 3.22Å; C560-H573 VanDerWaalsContact SG-CE1 3.57Å; C560-H573 PolarHBondContact SG-NE2 3.18Å; C560-H577 PolarHBondContact SG-CE1 3.03Å; C560-H577 PolarHBondContact SG-NE2 3.28Å
561G79.6Confident83.3Confident50 Ų5083.6 Ų83.652%0.51542%0.42SS..  trans60.2-6.9179.600000117.5R563G561-R563 WeakPolarHBondContact O-CG 3.48Å; G561-R563 PolarHBondContact O-N 3.46Å
562K83.9Confident83.5Confident122 Ų12280.5 Ų80.553%0.5341%0.408SS..  trans-64.7127-170.4-72.8174.8-168.3174.50112C555 C560 F564C555-K562 VanDerWaalsContact CB-O 3.29Å; C555-K562 WeakPolarHBondContact CB-O 3.45Å; C555-K562 PolarHBondContact N-O 2.92Å; C560-K562 PolarHBondContact O-N 3.22Å; K562-F564 HydrophobicContact CB-CE2 3.78Å; K562-F564 HydrophobicContact CB-CZ 3.79Å; K562-F564 VanDerWaalsContact O-CE2 3.29Å; K562-F564 WeakPolarHBondContact O-CE2 3.29Å
563R86.1Confident83.9Confident130 Ų13078.4 Ų78.449%0.49139%0.393SS..EExtended strand (participates in β ladder)trans-106.4148.9179.7-49.4-178.761.2158.40.5111.4R551 F553 V554 G561R551-R563 HydrophobicContact CB-CB 3.57Å; R551-R563 VanDerWaalsContact CZ-O 3.25Å; R551-R563 PolarHBondContact NE-O 3.07Å; R551-R563 PolarHBondContact NH2-O 2.76Å; R551-R563 PolarHBondContact O-NE 3.32Å; R551-R563 PolarHBondContact O-NH2 3.3Å; F553-R563 CarbonylContact O-C 3.5Å; F553-R563 WeakPolarHBondContact O-CA 3.36Å; V554-R563 HydrophobicContact CG1-CG 4.31Å; V554-R563 HydrophobicContact CG2-CG 4.13Å; G561-R563 WeakPolarHBondContact O-CG 3.48Å; G561-R563 PolarHBondContact O-N 3.46Å
564F84.5Confident84.1Confident31 Ų3177.2 Ų77.214%0.13640%0.395CS..EExtended strand (participates in β ladder)trans-135.5151.2-176-57-86.5000112R551 F553 K562 E569 L570 H573R551-F564 CarbonylContact C-O 3.58Å; R551-F564 WeakPolarHBondContact CA-O 3.44Å; F553-F564 HydrophobicContact CB-CB 4.25Å; F553-F564 WeakPolarHBondContact CB-O 3.41Å; F553-F564 PolarHBondContact N-O 2.86Å; F553-F564 VanDerWaalsContact N-O 3.07Å; F553-F564 PolarHBondContact O-N 3.36Å; K562-F564 HydrophobicContact CB-CE2 3.78Å; K562-F564 HydrophobicContact CB-CZ 3.79Å; K562-F564 VanDerWaalsContact O-CE2 3.29Å; K562-F564 WeakPolarHBondContact O-CE2 3.29Å; F564-E569 HydrophobicContact CB-CB 4.29Å; F564-E569 HydrophobicContact CD1-CB 4Å; F564-E569 HydrophobicContact CD1-CG 3.48Å; F564-E569 VanDerWaalsContact CD1-CG 3.48Å; F564-E569 HydrophobicContact CE1-CG 4.01Å; F564-E569 HydrophobicContact CG-CB 4.36Å; F564-E569 HydrophobicContact CG-CG 4.31Å; F564-L570 HydrophobicContact CB-CB 4.44Å; F564-L570 HydrophobicContact CD2-CB 4Å; F564-L570 HydrophobicContact CD2-CD1 4.14Å; F564-L570 HydrophobicContact CE2-CD1 4.34Å; F564-L570 HydrophobicContact CG-CB 4.4Å; F564-H573 HydrophobicContact CE1-CB 4.21Å; F564-H573 HydrophobicContact CE2-CB 4.06Å; F564-H573 AromaticContact CE2-CD2 3.32Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.45Å; F564-H573 AromaticContact CE2-CG 3.89Å; F564-H573 HydrophobicContact CZ-CB 3.63Å; F564-H573 AromaticContact CZ-CD2 3.33Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.48Å; F564-H573 AromaticContact CZ-CG 3.48Å; F564-H573 VanDerWaalsContact CZ-CG 3.48Å
565T82Confident84.2Confident26 Ų2677 Ų7716%0.1639%0.386CS..SBendtrans-80.8-17176.659.10000113.1R545 L546 E550 R551 F553R545-T565 HydrophobicContact CB-CG2 4.26Å; R545-T565 PolarHBondContact NH1-O 3.41Å; L546-T565 HydrophobicContact CD2-CG2 3.99Å; E550-T565 WeakPolarHBondContact O-CG2 3.38Å; R551-T565 HydrophobicContact CG-CG2 3.8Å; F553-T565 WeakPolarHBondContact CE2-O 3.23Å
566R81.8Confident83.9Confident99 Ų9979.8 Ų79.837%0.37440%0.403SS..SBendtrans-134.2143.8-175.1-70.5170.553.9162.3-9.4112.6A542 D568 E569 L570A542-R566 HydrophobicContact CB-CG 3.88Å; R566-D568 WeakPolarHBondContact CB-OD1 3.28Å; R566-D568 IonicContact CZ-OD1 2.79Å; R566-D568 VanDerWaalsContact CZ-OD1 3.28Å; R566-D568 IonicContact CZ-OD2 3.27Å; R566-D568 IonicContact NE-OD1 2.71Å; R566-D568 PolarHBondContact NE-OD1 3.16Å; R566-D568 IonicContact NE-OD2 3.15Å; R566-D568 IonicContact NH2-OD1 3.72Å; R566-D568 PolarHBondContact NH2-OD1 3.11Å; R566-D568 IonicContact NH2-OD2 2.89Å; R566-D568 PolarHBondContact NH2-OD2 3.25Å; R566-E569 HydrophobicContact CB-CB 4.38Å; R566-E569 PolarHBondContact O-N 2.93Å; R566-L570 PolarHBondContact O-N 3.41Å
567S83.9Confident83.9Confident69 Ų6974 Ų7448%0.48337%0.37SS..Hα-helixtrans-68.5-35.6178.448.60000113.6E569 L570 Q571S567-E569 VanDerWaalsContact C-N 3.25Å; S567-E569 PolarHBondContact O-N 3.2Å; S567-L570 PolarHBondContact O-N 3.44Å; S567-Q571 WeakPolarHBondContact O-CB 3.45Å; S567-Q571 PolarHBondContact O-N 2.9Å
568D83.9Confident83.8Confident57 Ų5774 Ų7431%0.30538%0.382SS..Hα-helixtrans-70.7-22177.871.8-73.5000113R566 R572R566-D568 WeakPolarHBondContact CB-OD1 3.28Å; R566-D568 IonicContact CZ-OD1 2.79Å; R566-D568 VanDerWaalsContact CZ-OD1 3.28Å; R566-D568 IonicContact CZ-OD2 3.27Å; R566-D568 IonicContact NE-OD1 2.71Å; R566-D568 PolarHBondContact NE-OD1 3.16Å; R566-D568 IonicContact NE-OD2 3.15Å; R566-D568 IonicContact NH2-OD1 3.72Å; R566-D568 PolarHBondContact NH2-OD1 3.11Å; R566-D568 IonicContact NH2-OD2 2.89Å; R566-D568 PolarHBondContact NH2-OD2 3.25Å; D568-R572 VanDerWaalsContact O-CB 3.28Å; D568-R572 WeakPolarHBondContact O-CB 3.12Å; D568-R572 PolarHBondContact O-N 2.99Å; D568-R572 IonicContact OD2-NH2 3.02Å; D568-R572 PolarHBondContact OD2-NH2 3.13Å
569E85.2Confident84Confident62 Ų6268.8 Ų68.829%0.2936%0.359SS..Hα-helixtrans-76.7-45.9170.8-160.262.6-125.600110.5F564 R566 S567 Q571 R572 H573F564-E569 HydrophobicContact CB-CB 4.29Å; F564-E569 HydrophobicContact CD1-CB 4Å; F564-E569 HydrophobicContact CD1-CG 3.48Å; F564-E569 VanDerWaalsContact CD1-CG 3.48Å; F564-E569 HydrophobicContact CE1-CG 4.01Å; F564-E569 HydrophobicContact CG-CB 4.36Å; F564-E569 HydrophobicContact CG-CG 4.31Å; R566-E569 HydrophobicContact CB-CB 4.38Å; R566-E569 PolarHBondContact O-N 2.93Å; S567-E569 VanDerWaalsContact C-N 3.25Å; S567-E569 PolarHBondContact O-N 3.2Å; E569-Q571 PolarHBondContact O-N 3.43Å; E569-R572 PolarHBondContact O-N 3.45Å; E569-R572 IonicContact OE1-CZ 2.7Å; E569-R572 IonicContact OE1-NH1 2.99Å; E569-R572 PolarHBondContact OE1-NH1 3.33Å; E569-R572 IonicContact OE1-NH2 3.91Å; E569-R572 IonicContact OE2-CZ 3.47Å; E569-R572 IonicContact OE2-NH1 3.83Å; E569-R572 PolarHBondContact OE2-NH1 3.46Å; E569-R572 IonicContact OE2-NH2 3.38Å; E569-R572 PolarHBondContact OE2-NH2 3.09Å; E569-H573 WeakPolarHBondContact O-CB 3.29Å; E569-H573 PolarHBondContact O-N 3.45Å
570L89Confident83.9Confident37 Ų3762.4 Ų62.419%0.19433%0.333CS..Hα-helixtrans-56.6-47.8172.2169.460.2000111.7F553 V554 C555 F564 R566 S567 R572 H573 A574F553-L570 HydrophobicContact CB-CB 4.04Å; F553-L570 HydrophobicContact CB-CD2 3.8Å; V554-L570 WeakPolarHBondContact O-CD1 3.41Å; V554-L570 WeakPolarHBondContact O-CD2 3.34Å; C555-L570 HydrophobicContact CB-CD1 4.19Å; F564-L570 HydrophobicContact CB-CB 4.44Å; F564-L570 HydrophobicContact CD2-CB 4Å; F564-L570 HydrophobicContact CD2-CD1 4.14Å; F564-L570 HydrophobicContact CE2-CD1 4.34Å; F564-L570 HydrophobicContact CG-CB 4.4Å; R566-L570 PolarHBondContact O-N 3.41Å; S567-L570 PolarHBondContact O-N 3.44Å; L570-R572 VanDerWaalsContact C-N 3.27Å; L570-R572 PolarHBondContact O-N 2.6Å; L570-H573 PolarHBondContact O-N 2.77Å; L570-A574 WeakPolarHBondContact O-CB 3.29Å; L570-A574 PolarHBondContact O-N 2.82Å
571Q85.6Confident83.7Confident120 Ų12066.7 Ų66.756%0.56135%0.348SS*.Hα-helixtrans-67-28.1-179.6-161.2-158.45.400112.6S567 E569 R575S567-Q571 WeakPolarHBondContact O-CB 3.45Å; S567-Q571 PolarHBondContact O-N 2.9Å; E569-Q571 PolarHBondContact O-N 3.43Å; Q571-R575 WeakPolarHBondContact O-CG 3.46Å; Q571-R575 PolarHBondContact O-NE 3.17Å
572R84.6Confident83.8Confident65 Ų6572.3 Ų72.325%0.24535%0.354CS..Hα-helixtrans-76.8-37.6173.7-161.8-170.7-40.6134.812.4111.3D568 E569 L570 R594D568-R572 VanDerWaalsContact O-CB 3.28Å; D568-R572 WeakPolarHBondContact O-CB 3.12Å; D568-R572 PolarHBondContact O-N 2.99Å; D568-R572 IonicContact OD2-NH2 3.02Å; D568-R572 PolarHBondContact OD2-NH2 3.13Å; E569-R572 PolarHBondContact O-N 3.45Å; E569-R572 IonicContact OE1-CZ 2.7Å; E569-R572 IonicContact OE1-NH1 2.99Å; E569-R572 PolarHBondContact OE1-NH1 3.33Å; E569-R572 IonicContact OE1-NH2 3.91Å; E569-R572 IonicContact OE2-CZ 3.47Å; E569-R572 IonicContact OE2-NH1 3.83Å; E569-R572 PolarHBondContact OE2-NH1 3.46Å; E569-R572 IonicContact OE2-NH2 3.38Å; E569-R572 PolarHBondContact OE2-NH2 3.09Å; L570-R572 VanDerWaalsContact C-N 3.27Å; L570-R572 PolarHBondContact O-N 2.6Å; R572-R594 HydrophobicContact CG-CG 4.15Å
573H88.1Confident83.9Confident19 Ų1969.4 Ų69.49%0.08834%0.342CS..Hα-helixtrans-68.3-41.2174.1170.443.3000112.4C555 C560 F564 E569 L570 R575 T576 H577C555-H573 PolarHBondContact SG-NE2 3.26Å; C555-H573 VanDerWaalsContact SG-NE2 3.42Å; C560-H573 VanDerWaalsContact SG-CE1 3.57Å; C560-H573 PolarHBondContact SG-NE2 3.18Å; F564-H573 HydrophobicContact CE1-CB 4.21Å; F564-H573 HydrophobicContact CE2-CB 4.06Å; F564-H573 AromaticContact CE2-CD2 3.32Å; F564-H573 WeakPolarHBondContact CE2-CD2 3.45Å; F564-H573 AromaticContact CE2-CG 3.89Å; F564-H573 HydrophobicContact CZ-CB 3.63Å; F564-H573 AromaticContact CZ-CD2 3.33Å; F564-H573 WeakPolarHBondContact CZ-CD2 3.48Å; F564-H573 AromaticContact CZ-CG 3.48Å; F564-H573 VanDerWaalsContact CZ-CG 3.48Å; E569-H573 WeakPolarHBondContact O-CB 3.29Å; E569-H573 PolarHBondContact O-N 3.45Å; L570-H573 PolarHBondContact O-N 2.77Å; H573-R575 PolarHBondContact O-N 3.2Å; H573-T576 PolarHBondContact CE1-OG1 3.42Å; H573-T576 PolarHBondContact ND1-OG1 3.21Å; H573-T576 VanDerWaalsContact ND1-OG1 3.16Å; H573-T576 WeakPolarHBondContact O-CB 3.43Å; H573-T576 WeakPolarHBondContact O-CG2 3.44Å; H573-T576 PolarHBondContact O-N 2.82Å; H573-T576 PolarHBondContact O-OG1 3.29Å; H573-H577 AromaticContact CE1-CE1 3.52Å; H573-H577 AromaticContact CE1-NE2 3.28Å; H573-H577 PolarHBondContact CE1-NE2 2.81Å; H573-H577 VanDerWaalsContact CE1-NE2 3.28Å; H573-H577 AromaticContact NE2-CE1 3.86Å; H573-H577 AromaticContact NE2-NE2 3.24Å; H573-H577 PolarHBondContact NE2-NE2 3.26Å
574A85.5Confident84.1Confident40 Ų4067.8 Ų67.833%0.33134%0.34SS..Hα-helixtrans-54.2-33.4179.700000112.8L570 T576 H577 T578L570-A574 WeakPolarHBondContact O-CB 3.29Å; L570-A574 PolarHBondContact O-N 2.82Å; A574-T576 PolarHBondContact O-N 3.41Å; A574-H577 PolarHBondContact O-N 3.08Å; A574-T578 PolarHBondContact O-OG1 3.42Å
575R85.1Confident84.5Confident67 Ų6766.3 Ų66.325%0.25333%0.333SS..Hα-helixtrans-63.6-22.5175.2-58.6172.6-162.4-150.4-1.3113.6Q571 H573 H577 T578 G579 D580 M593Q571-R575 WeakPolarHBondContact O-CG 3.46Å; Q571-R575 PolarHBondContact O-NE 3.17Å; H573-R575 PolarHBondContact O-N 3.2Å; R575-H577 PolarHBondContact O-N 2.95Å; R575-T578 PolarHBondContact O-N 3.39Å; R575-G579 PolarHBondContact O-N 2.88Å; R575-D580 PolarHBondContact O-N 3.37Å; R575-M593 HydrophobicContact CB-CG 4Å; R575-M593 HydrophobicContact CB-SD 3.9Å; R575-M593 VanDerWaalsContact O-SD 3.34Å
576T83.8Confident84.7Confident66 Ų6669.8 Ų69.841%0.40536%0.359SS..Hα-helixtrans-65.8-30.6176.771.70000111.6H573 A574 M593H573-T576 PolarHBondContact CE1-OG1 3.42Å; H573-T576 PolarHBondContact ND1-OG1 3.21Å; H573-T576 VanDerWaalsContact ND1-OG1 3.16Å; H573-T576 WeakPolarHBondContact O-CB 3.43Å; H573-T576 WeakPolarHBondContact O-CG2 3.44Å; H573-T576 PolarHBondContact O-N 2.82Å; H573-T576 PolarHBondContact O-OG1 3.29Å; A574-T576 PolarHBondContact O-N 3.41Å; T576-M593 VanDerWaalsContact CA-SD 3.53Å; T576-M593 HydrophobicContact CG2-CE 3.69Å; T576-M593 HydrophobicContact CG2-SD 3.93Å; T576-M593 PolarHBondContact N-SD 3.02Å
577H82.6Confident85Confident46 Ų4669.5 Ų69.521%0.21336%0.361CS..Hα-helixtrans-79.4-36.5177.1-55-46.5000111.9C555 W557 C560 H573 A574 R575 G579C555-H577 PolarHBondContact SG-NE2 3.34Å; W557-H577 HydrophobicContact CD2-CB 3.78Å; W557-H577 AromaticContact CD2-CD2 3.89Å; W557-H577 AromaticContact CD2-CG 3.77Å; W557-H577 HydrophobicContact CE3-CB 3.43Å; W557-H577 VanDerWaalsContact CE3-CB 3.43Å; W557-H577 AromaticContact CE3-CD2 3.95Å; W557-H577 AromaticContact CE3-CG 3.85Å; W557-H577 HydrophobicContact CG-CB 4.5Å; W557-H577 AromaticContact CG-CD2 3.75Å; W557-H577 AromaticContact CG-CG 3.98Å; W557-H577 AromaticContact CG-NE2 4Å; W557-H577 HydrophobicContact CH2-CB 4.02Å; W557-H577 HydrophobicContact CZ2-CB 4.33Å; W557-H577 HydrophobicContact CZ3-CB 3.57Å; C560-H577 PolarHBondContact SG-CE1 3.03Å; C560-H577 PolarHBondContact SG-NE2 3.28Å; H573-H577 AromaticContact CE1-CE1 3.52Å; H573-H577 AromaticContact CE1-NE2 3.28Å; H573-H577 PolarHBondContact CE1-NE2 2.81Å; H573-H577 VanDerWaalsContact CE1-NE2 3.28Å; H573-H577 AromaticContact NE2-CE1 3.86Å; H573-H577 AromaticContact NE2-NE2 3.24Å; H573-H577 PolarHBondContact NE2-NE2 3.26Å; A574-H577 PolarHBondContact O-N 3.08Å; R575-H577 PolarHBondContact O-N 2.95Å; H577-G579 PolarHBondContact O-N 2.91Å
578T81.9Confident85.3Confident104 Ų10468.5 Ų68.564%0.63835%0.354SS*.Hα-helixtrans-76.4-7.7175.2-31.30000113.4A574 R575 D580A574-T578 PolarHBondContact O-OG1 3.42Å; R575-T578 PolarHBondContact O-N 3.39Å; T578-D580 HydrophobicContact CG2-CB 4.44Å; T578-D580 PolarHBondContact O-N 3.26Å; T578-D580 VanDerWaalsContact O-N 3.12Å
579G80.6Confident85.5Confident41 Ų4173.4 Ų73.442%0.42337%0.373SS..THydrogen-bonded Turntrans63.413.9-176.800000115.2R575 H577 K581R575-G579 PolarHBondContact O-N 2.88Å; H577-G579 PolarHBondContact O-N 2.91Å; G579-K581 WeakPolarHBondContact O-CG 3.35Å; G579-K581 PolarHBondContact O-N 2.82Å; G579-K581 VanDerWaalsContact O-N 3.07Å
580D78.9Confident85.7Confident37 Ų3776.6 Ų76.620%0.19839%0.386CS..  trans-75.897.5-159.3-178.23.2000113.4R575 T578 R582R575-D580 PolarHBondContact O-N 3.37Å; T578-D580 HydrophobicContact CG2-CB 4.44Å; T578-D580 PolarHBondContact O-N 3.26Å; T578-D580 VanDerWaalsContact O-N 3.12Å; D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 WeakPolarHBondContact OD1-CG 3.28Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD2-CZ 2.92Å; D580-R582 IonicContact OD2-NE 3.11Å; D580-R582 PolarHBondContact OD2-NE 3.09Å; D580-R582 IonicContact OD2-NH2 3.79Å; D580-R582 PolarHBondContact OD2-NH2 3.06Å
581K81.3Confident85.7Confident112 Ų11281.6 Ų81.649%0.48740%0.402SS..  trans-94.777.9-178.6-62.1156.1-166.7-85.80111.5G579 R591 F592G579-K581 WeakPolarHBondContact O-CG 3.35Å; G579-K581 PolarHBondContact O-N 2.82Å; G579-K581 VanDerWaalsContact O-N 3.07Å; K581-R591 HydrophobicContact CB-CB 3.8Å; K581-R591 PolarHBondContact O-NE 3.28Å; K581-R591 PolarHBondContact O-NH2 3.44Å; K581-F592 CarbonylContact C-O 3.56Å; K581-F592 VanDerWaalsContact C-O 3.29Å; K581-F592 VanDerWaalsContact CA-O 3.31Å; K581-F592 WeakPolarHBondContact CA-O 3.45Å
582R82.3Confident85.8Confident168 Ų16878 Ų7863%0.63439%0.385SS*.  trans-74.2-19.1-179.2-57.7-165.9-173.9-151-6.7116.1D580 F592D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 WeakPolarHBondContact OD1-CG 3.28Å; D580-R582 IonicContact OD1-NE 2.81Å; D580-R582 PolarHBondContact OD1-NE 3.46Å; D580-R582 IonicContact OD2-CZ 2.92Å; D580-R582 IonicContact OD2-NE 3.11Å; D580-R582 PolarHBondContact OD2-NE 3.09Å; D580-R582 IonicContact OD2-NH2 3.79Å; D580-R582 PolarHBondContact OD2-NH2 3.06Å; R582-F592 PolarHBondContact N-O 2.94Å
583F85.8Confident85.9Confident62 Ų6277.6 Ų77.627%0.27239%0.386SS..EExtended strand (participates in β ladder)trans-107.198-167.8-60.6-79.7000111.1F592 R594 L598F583-F592 HydrophobicContact CB-CB 4.27Å; F583-F592 WeakPolarHBondContact CB-O 3.37Å; F583-F592 PolarHBondContact N-O 3.18Å; F583-F592 PolarHBondContact O-N 3.29Å; F583-R594 VanDerWaalsContact CD2-C 3.43Å; F583-L598 HydrophobicContact CB-CB 4.08Å; F583-L598 HydrophobicContact CB-CD2 3.84Å
584E90.4Very high85.8Confident95 Ų9579.9 Ų79.944%0.44439%0.394SS..EExtended strand (participates in β ladder)trans-88.3144.6179.3-167.9166.2141.100112.9K589 R591 L598E584-K589 HydrophobicContact CG-CB 4.49Å; E584-K589 WeakPolarHBondContact OE1-CB 3.24Å; E584-K589 WeakPolarHBondContact OE1-CG 3.42Å; E584-R591 HydrophobicContact CB-CG 4.03Å; E584-R591 HydrophobicContact CG-CG 3.87Å; E584-L598 WeakPolarHBondContact O-CD2 3.29Å
585C91.6Very high85.9Confident1 Ų181.1 Ų81.11%0.00740%0.4CS..  trans-88.1113.9171.3-1710000111.6Q587 C588 K589 K590 F592 L598C585-Q587 PolarHBondContact O-N 3.32Å; C585-C588 PolarHBondContact O-N 2.88Å; C585-K589 VanDerWaalsContact O-CA 3.28Å; C585-K589 WeakPolarHBondContact O-CA 3.16Å; C585-K589 PolarHBondContact O-N 3.25Å; C585-K590 PolarHBondContact N-O 3.21Å; C585-F592 HydrophobicContact CB-CE2 4.34Å; C585-L598 HydrophobicContact CB-CD1 3.61Å
586S87.8Confident86Confident99 Ų9980.3 Ų80.369%0.69240%0.401SS*.THydrogen-bonded Turntrans-58.1-22.3179.454.50000115
587Q86.4Confident86.3Confident92 Ų9281 Ų8143%0.4340%0.399SS..THydrogen-bonded Turntrans-84.3-26.7-179.3-64.7-66.6-7100114.1C585 Y602 H605C585-Q587 PolarHBondContact O-N 3.32Å; Q587-Y602 HydrophobicContact CG-CE2 4.19Å; Q587-H605 HydrophobicContact CB-CB 4.37Å; Q587-H605 HydrophobicContact CG-CB 4.27Å
588C90.3Very high86.7Confident48 Ų4880.4 Ų80.432%0.32440%0.397SS..THydrogen-bonded Turntrans-148.813.8-175.373.30000115.2C585 K590 H601 H605C585-C588 PolarHBondContact O-N 2.88Å; C588-K590 PolarHBondContact O-N 2.82Å; C588-H601 PolarHBondContact SG-NE2 3.31Å; C588-H605 PolarHBondContact SG-CE1 2.85Å; C588-H605 PolarHBondContact SG-NE2 2.89Å
589K88.9Confident87.1Confident160 Ų16079.3 Ų79.370%0.69639%0.39SS*.  trans56.311.2176.7-53.6-170-179.6-179.40116.3E584 C585 R591E584-K589 HydrophobicContact CG-CB 4.49Å; E584-K589 WeakPolarHBondContact OE1-CB 3.24Å; E584-K589 WeakPolarHBondContact OE1-CG 3.42Å; C585-K589 VanDerWaalsContact O-CA 3.28Å; C585-K589 WeakPolarHBondContact O-CA 3.16Å; C585-K589 PolarHBondContact O-N 3.25Å; K589-R591 PolarHBondContact O-N 3.28Å
590K88.9Confident87.5Confident130 Ų13083.6 Ų83.657%0.56540%0.398SS*.  trans-65.9126.7173.7-72-177179-1780110.1C585 C588 F592C585-K590 PolarHBondContact N-O 3.21Å; C588-K590 PolarHBondContact O-N 2.82Å; K590-F592 HydrophobicContact CB-CE2 3.84Å; K590-F592 HydrophobicContact CB-CZ 4.06Å; K590-F592 WeakPolarHBondContact O-CD2 3.43Å; K590-F592 VanDerWaalsContact O-CE2 3.23Å; K590-F592 WeakPolarHBondContact O-CE2 3.31Å
591R89.6Confident88.1Confident142 Ų14283.3 Ų83.354%0.53640%0.395SS..EExtended strand (participates in β ladder)trans-101.9129-175.1-67.2179.858178.30.7112.6K581 E584 K589K581-R591 HydrophobicContact CB-CB 3.8Å; K581-R591 PolarHBondContact O-NE 3.28Å; K581-R591 PolarHBondContact O-NH2 3.44Å; E584-R591 HydrophobicContact CB-CG 4.03Å; E584-R591 HydrophobicContact CG-CG 3.87Å; K589-R591 PolarHBondContact O-N 3.28Å
592F87.8Confident88.5Confident45 Ų4583 Ų8320%0.19739%0.392CS..EExtended strand (participates in β ladder)trans-116.6150.4-176.5-59.3-90.3000111.6K581 R582 F583 C585 K590 H597 L598 H601K581-F592 CarbonylContact C-O 3.56Å; K581-F592 VanDerWaalsContact C-O 3.29Å; K581-F592 VanDerWaalsContact CA-O 3.31Å; K581-F592 WeakPolarHBondContact CA-O 3.45Å; R582-F592 PolarHBondContact N-O 2.94Å; F583-F592 HydrophobicContact CB-CB 4.27Å; F583-F592 WeakPolarHBondContact CB-O 3.37Å; F583-F592 PolarHBondContact N-O 3.18Å; F583-F592 PolarHBondContact O-N 3.29Å; C585-F592 HydrophobicContact CB-CE2 4.34Å; K590-F592 HydrophobicContact CB-CE2 3.84Å; K590-F592 HydrophobicContact CB-CZ 4.06Å; K590-F592 WeakPolarHBondContact O-CD2 3.43Å; K590-F592 VanDerWaalsContact O-CE2 3.23Å; K590-F592 WeakPolarHBondContact O-CE2 3.31Å; F592-H597 HydrophobicContact CB-CB 4.32Å; F592-H597 HydrophobicContact CD1-CB 3.91Å; F592-H597 HydrophobicContact CG-CB 4.38Å; F592-L598 HydrophobicContact CB-CB 4.37Å; F592-L598 HydrophobicContact CD2-CB 4.09Å; F592-L598 HydrophobicContact CD2-CD1 4.05Å; F592-L598 HydrophobicContact CE2-CD1 4.28Å; F592-L598 HydrophobicContact CG-CB 4.36Å; F592-H601 HydrophobicContact CE1-CB 4.13Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.29Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; F592-H601 AromaticContact CE2-CG 3.84Å; F592-H601 HydrophobicContact CZ-CB 3.6Å; F592-H601 AromaticContact CZ-CD2 3.29Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.4Å; F592-H601 VanDerWaalsContact CZ-CG 3.4Å; F592-H601 AromaticContact CZ-NE2 3.99Å
593M86.6Confident88.8Confident56 Ų5681 Ų8128%0.27639%0.387SS..SBendtrans-83.4-12.6176177.2167.446.200113.3R575 T576R575-M593 HydrophobicContact CB-CG 4Å; R575-M593 HydrophobicContact CB-SD 3.9Å; R575-M593 VanDerWaalsContact O-SD 3.34Å; T576-M593 VanDerWaalsContact CA-SD 3.53Å; T576-M593 HydrophobicContact CG2-CE 3.69Å; T576-M593 HydrophobicContact CG2-SD 3.93Å; T576-M593 PolarHBondContact N-SD 3.02Å
594R85.1Confident88.9Confident67 Ų6781.3 Ų81.325%0.25340%0.395SS..SBendtrans-136139.5-176.1-68.2169.953.5158.4-9.5111.2R572 F583 D596 H597 L598R572-R594 HydrophobicContact CG-CG 4.15Å; F583-R594 VanDerWaalsContact CD2-C 3.43Å; R594-D596 WeakPolarHBondContact CB-OD1 3.41Å; R594-D596 IonicContact CZ-OD1 2.84Å; R594-D596 VanDerWaalsContact CZ-OD1 3.27Å; R594-D596 IonicContact CZ-OD2 3.22Å; R594-D596 IonicContact NE-OD1 2.66Å; R594-D596 PolarHBondContact NE-OD1 3.28Å; R594-D596 VanDerWaalsContact NH2-CG 3.27Å; R594-D596 IonicContact NH2-OD1 2.88Å; R594-D596 PolarHBondContact NH2-OD1 3.3Å; R594-D596 IonicContact NH2-OD2 3.83Å; R594-D596 PolarHBondContact NH2-OD2 2.95Å; R594-H597 HydrophobicContact CB-CB 4.2Å; R594-H597 PolarHBondContact NE-CD2 3.22Å; R594-H597 PolarHBondContact NE-NE2 3.4Å; R594-H597 PolarHBondContact O-N 3.2Å; R594-L598 PolarHBondContact O-N 2.74Å; R594-L598 VanDerWaalsContact O-N 3.16Å
595S87.5Confident88.6Confident65 Ų6578.2 Ų78.246%0.45538%0.38SS..Hα-helixtrans-62.7-40175.549.20000112.6H597 L598 T599S595-H597 VanDerWaalsContact C-N 3.28Å; S595-H597 PolarHBondContact O-N 3.37Å; S595-L598 CarbonylContact O-C 3.36Å; S595-L598 WeakPolarHBondContact O-CB 2.82Å; S595-L598 PolarHBondContact O-N 3.25Å; S595-L598 VanDerWaalsContact O-N 3.16Å; S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.83Å
596D88.8Confident88.2Confident51 Ų5181.5 Ų81.527%0.27340%0.397SS..Hα-helixtrans-68-27.9178.978.8-66.8000112.9R594 K600R594-D596 WeakPolarHBondContact CB-OD1 3.41Å; R594-D596 IonicContact CZ-OD1 2.84Å; R594-D596 VanDerWaalsContact CZ-OD1 3.27Å; R594-D596 IonicContact CZ-OD2 3.22Å; R594-D596 IonicContact NE-OD1 2.66Å; R594-D596 PolarHBondContact NE-OD1 3.28Å; R594-D596 VanDerWaalsContact NH2-CG 3.27Å; R594-D596 IonicContact NH2-OD1 2.88Å; R594-D596 PolarHBondContact NH2-OD1 3.3Å; R594-D596 IonicContact NH2-OD2 3.83Å; R594-D596 PolarHBondContact NH2-OD2 2.95Å; D596-K600 WeakPolarHBondContact O-CB 3.49Å; D596-K600 WeakPolarHBondContact O-CD 3.5Å; D596-K600 VanDerWaalsContact O-CG 3.25Å; D596-K600 WeakPolarHBondContact O-CG 3.46Å; D596-K600 PolarHBondContact O-N 2.04Å; D596-K600 IonicContact OD2-NZ 2.71Å; D596-K600 PolarHBondContact OD2-NZ 3.09Å
597H89.3Confident87.3Confident80 Ų8081.7 Ų81.737%0.3739%0.39SS..Hα-helixtrans-70-44.5171.5-70.9-150.5000110.2F592 R594 S595 T599 K600 H601F592-H597 HydrophobicContact CB-CB 4.32Å; F592-H597 HydrophobicContact CD1-CB 3.91Å; F592-H597 HydrophobicContact CG-CB 4.38Å; R594-H597 HydrophobicContact CB-CB 4.2Å; R594-H597 PolarHBondContact NE-CD2 3.22Å; R594-H597 PolarHBondContact NE-NE2 3.4Å; R594-H597 PolarHBondContact O-N 3.2Å; S595-H597 VanDerWaalsContact C-N 3.28Å; S595-H597 PolarHBondContact O-N 3.37Å; H597-T599 PolarHBondContact O-N 3.06Å; H597-K600 PolarHBondContact O-N 2.82Å; H597-H601 WeakPolarHBondContact O-CB 3.28Å; H597-H601 PolarHBondContact O-N 3.13Å
598L92.1Very high86.1Confident34 Ų3481.9 Ų81.918%0.17840%0.397CS..Hα-helixtrans-59.5-42.8171.6172.361000111.7F583 E584 C585 F592 R594 S595 H601 Y602F583-L598 HydrophobicContact CB-CB 4.08Å; F583-L598 HydrophobicContact CB-CD2 3.84Å; E584-L598 WeakPolarHBondContact O-CD2 3.29Å; C585-L598 HydrophobicContact CB-CD1 3.61Å; F592-L598 HydrophobicContact CB-CB 4.37Å; F592-L598 HydrophobicContact CD2-CB 4.09Å; F592-L598 HydrophobicContact CD2-CD1 4.05Å; F592-L598 HydrophobicContact CE2-CD1 4.28Å; F592-L598 HydrophobicContact CG-CB 4.36Å; R594-L598 PolarHBondContact O-N 2.74Å; R594-L598 VanDerWaalsContact O-N 3.16Å; S595-L598 CarbonylContact O-C 3.36Å; S595-L598 WeakPolarHBondContact O-CB 2.82Å; S595-L598 PolarHBondContact O-N 3.25Å; S595-L598 VanDerWaalsContact O-N 3.16Å; L598-H601 PolarHBondContact O-N 3.38Å; L598-Y602 WeakPolarHBondContact O-CB 3.42Å; L598-Y602 PolarHBondContact O-N 3.38Å
599T90Very high84.6Confident80 Ų8086 Ų8649%0.49141%0.41SS..Hα-helixtrans-65.6-39.4178.1-51.20000112.3S595 H597 K603S595-T599 PolarHBondContact O-N 2.87Å; S595-T599 PolarHBondContact O-OG1 2.83Å; H597-T599 PolarHBondContact O-N 3.06Å; T599-K603 WeakPolarHBondContact O-CG 3.31Å; T599-K603 PolarHBondContact O-N 3.25Å
600K89Confident82.8Confident132 Ų13285 Ų8557%0.57441%0.412SS*.Hα-helixtrans-62.7-42.6172.7-74.2163.8-178160.90111.3D596 H597 K603D596-K600 WeakPolarHBondContact O-CB 3.49Å; D596-K600 WeakPolarHBondContact O-CD 3.5Å; D596-K600 VanDerWaalsContact O-CG 3.25Å; D596-K600 WeakPolarHBondContact O-CG 3.46Å; D596-K600 PolarHBondContact O-N 2.04Å; D596-K600 IonicContact OD2-NZ 2.71Å; D596-K600 PolarHBondContact OD2-NZ 3.09Å; H597-K600 PolarHBondContact O-N 2.82Å; K600-K603 WeakPolarHBondContact O-CB 3.39Å; K600-K603 PolarHBondContact O-N 3.12Å
601H90.9Very high80.8Confident30 Ų3088.7 Ų88.714%0.13944%0.437CS..Hα-helixtrans-70-38.7177.7177.952.9000113.2C588 F592 H597 L598 K603 T604 H605C588-H601 PolarHBondContact SG-NE2 3.31Å; F592-H601 HydrophobicContact CE1-CB 4.13Å; F592-H601 HydrophobicContact CE2-CB 4.06Å; F592-H601 AromaticContact CE2-CD2 3.29Å; F592-H601 WeakPolarHBondContact CE2-CD2 3.43Å; F592-H601 AromaticContact CE2-CG 3.84Å; F592-H601 HydrophobicContact CZ-CB 3.6Å; F592-H601 AromaticContact CZ-CD2 3.29Å; F592-H601 WeakPolarHBondContact CZ-CD2 3.5Å; F592-H601 AromaticContact CZ-CG 3.4Å; F592-H601 VanDerWaalsContact CZ-CG 3.4Å; F592-H601 AromaticContact CZ-NE2 3.99Å; H597-H601 WeakPolarHBondContact O-CB 3.28Å; H597-H601 PolarHBondContact O-N 3.13Å; L598-H601 PolarHBondContact O-N 3.38Å; H601-K603 PolarHBondContact O-N 3.14Å; H601-T604 PolarHBondContact O-N 2.71Å; H601-T604 PolarHBondContact O-OG1 2.89Å; H601-H605 AromaticContact CD2-NE2 3.77Å; H601-H605 AromaticContact CE1-CD2 3.92Å; H601-H605 AromaticContact CE1-CE1 3.97Å; H601-H605 AromaticContact CE1-NE2 3.16Å; H601-H605 PolarHBondContact CE1-NE2 2.83Å; H601-H605 AromaticContact NE2-CD2 3.79Å; H601-H605 AromaticContact NE2-CE1 3.99Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact O-CD2 3Å
602Y89.4Confident80.3Confident107 Ų10786 Ų8642%0.4243%0.432SS..Hα-helixtrans-58.8-31.5173.8-171.4-95.7000111.6Q587 L598 T604 H605 I606Q587-Y602 HydrophobicContact CG-CE2 4.19Å; L598-Y602 WeakPolarHBondContact O-CB 3.42Å; L598-Y602 PolarHBondContact O-N 3.38Å; Y602-T604 VanDerWaalsContact C-N 3.3Å; Y602-T604 PolarHBondContact O-N 2.84Å; Y602-H605 PolarHBondContact O-N 2.66Å; Y602-I606 HydrophobicContact CD1-CG2 4.25Å; Y602-I606 HydrophobicContact CE1-CG2 3.79Å; Y602-I606 PolarHBondContact O-N 2.83Å
603K89.2Confident79.9Confident124 Ų12488.2 Ų88.254%0.53944%0.444SS..Hα-helixtrans-69.7-18.1173.5-70.6-179.6177.6-166.80114.6T599 K600 H601 I606 N607T599-K603 WeakPolarHBondContact O-CG 3.31Å; T599-K603 PolarHBondContact O-N 3.25Å; K600-K603 WeakPolarHBondContact O-CB 3.39Å; K600-K603 PolarHBondContact O-N 3.12Å; H601-K603 PolarHBondContact O-N 3.14Å; K603-I606 HydrophobicContact CB-CD1 4.46Å; K603-I606 HydrophobicContact CG-CD1 4.15Å; K603-N607 WeakPolarHBondContact O-CB 3.06Å; K603-N607 VanDerWaalsContact O-CG 3.22Å; K603-N607 PolarHBondContact O-N 3.33Å; K603-N607 PolarHBondContact O-OD1 2.9Å
604T87.7Confident79.6Confident70 Ų7089.9 Ų89.943%0.42945%0.454SS..Hα-helixtrans-71.5-45.6169.968.50000109.7H601 Y602 I606 N607 T608H601-T604 PolarHBondContact O-N 2.71Å; H601-T604 PolarHBondContact O-OG1 2.89Å; Y602-T604 VanDerWaalsContact C-N 3.3Å; Y602-T604 PolarHBondContact O-N 2.84Å; T604-I606 VanDerWaalsContact C-N 3.3Å; T604-I606 PolarHBondContact O-N 2.88Å; T604-N607 PolarHBondContact O-N 3.44Å; T604-N607 VanDerWaalsContact O-N 3.11Å; T604-T608 WeakPolarHBondContact O-CG2 3.07Å; T604-T608 PolarHBondContact O-N 3Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T604-T608 VanDerWaalsContact O-OG1 3.13Å
605H84Confident79.2Confident30 Ų3091.3 Ų91.314%0.13947%0.465CS..Hα-helixtrans-63.6-25.1-178.7-65.7-69.8000115.7Q587 C588 H601 Y602 K609Q587-H605 HydrophobicContact CB-CB 4.37Å; Q587-H605 HydrophobicContact CG-CB 4.27Å; C588-H605 PolarHBondContact SG-CE1 2.85Å; C588-H605 PolarHBondContact SG-NE2 2.89Å; H601-H605 AromaticContact CD2-NE2 3.77Å; H601-H605 AromaticContact CE1-CD2 3.92Å; H601-H605 AromaticContact CE1-CE1 3.97Å; H601-H605 AromaticContact CE1-NE2 3.16Å; H601-H605 PolarHBondContact CE1-NE2 2.83Å; H601-H605 AromaticContact NE2-CD2 3.79Å; H601-H605 AromaticContact NE2-CE1 3.99Å; H601-H605 AromaticContact NE2-NE2 2.98Å; H601-H605 PolarHBondContact NE2-NE2 2.95Å; H601-H605 PolarHBondContact O-CD2 3Å; Y602-H605 PolarHBondContact O-N 2.66Å; H605-K609 WeakPolarHBondContact O-CD 3.4Å; H605-K609 VanDerWaalsContact O-CG 3.28Å; H605-K609 WeakPolarHBondContact O-CG 3.33Å
606I82.4Confident78.7Confident70 Ų7092.9 Ų92.936%0.35947%0.466SS..Hα-helixtrans-84.7-33.3173.671.3-171.3000111.4Y602 K603 T604 K609 N610Y602-I606 HydrophobicContact CD1-CG2 4.25Å; Y602-I606 HydrophobicContact CE1-CG2 3.79Å; Y602-I606 PolarHBondContact O-N 2.83Å; K603-I606 HydrophobicContact CB-CD1 4.46Å; K603-I606 HydrophobicContact CG-CD1 4.15Å; T604-I606 VanDerWaalsContact C-N 3.3Å; T604-I606 PolarHBondContact O-N 2.88Å; I606-K609 PolarHBondContact O-N 3.14Å; I606-N610 PolarHBondContact O-ND2 3.11Å
607N70Confident78.1Confident103 Ų10395.7 Ų95.755%0.55148%0.479SS*.Hα-helixtrans-72.4-40.7177.7-71.315.6000110.9K603 T604 K609 N610 L611K603-N607 WeakPolarHBondContact O-CB 3.06Å; K603-N607 VanDerWaalsContact O-CG 3.22Å; K603-N607 PolarHBondContact O-N 3.33Å; K603-N607 PolarHBondContact O-OD1 2.9Å; T604-N607 PolarHBondContact O-N 3.44Å; T604-N607 VanDerWaalsContact O-N 3.11Å; N607-K609 PolarHBondContact O-N 3.41Å; N607-N610 PolarHBondContact O-N 2.69Å; N607-N610 VanDerWaalsContact O-N 3.09Å; N607-L611 PolarHBondContact O-N 3.03Å
608T61.4Low77.3Confident95 Ų9596.9 Ų96.958%0.58349%0.487SS*.THydrogen-bonded Turntrans-76.619.9173.1650000113.7T604T604-T608 WeakPolarHBondContact O-CG2 3.07Å; T604-T608 PolarHBondContact O-N 3Å; T604-T608 PolarHBondContact O-OG1 3.28Å; T604-T608 VanDerWaalsContact O-OG1 3.13Å
609K57.5Low76.1Confident135 Ų135101.7 Ų101.759%0.58751%0.511SS*.THydrogen-bonded Turntrans-129.211.2168.3-69.4-177.2-176.1-171.10111.6H605 I606 N607H605-K609 WeakPolarHBondContact O-CD 3.4Å; H605-K609 VanDerWaalsContact O-CG 3.28Å; H605-K609 WeakPolarHBondContact O-CG 3.33Å; I606-K609 PolarHBondContact O-N 3.14Å; N607-K609 PolarHBondContact O-N 3.41Å
610N52.6Low74.9Confident140 Ų140103.5 Ų103.575%0.74951%0.512SS*.  trans-127.710172.1-73.2-95.2000111.1I606 N607I606-N610 PolarHBondContact O-ND2 3.11Å; N607-N610 PolarHBondContact O-N 2.69Å; N607-N610 VanDerWaalsContact O-N 3.09Å
611L45.2Very low73.7Confident206 Ų206100.9 Ų100.9100%1.07951%0.507SS*.  trans-111.90151.3-77.174.7000105.6N607N607-L611 PolarHBondContact O-N 3.03Å

Retrieved 611 of 611 residues in 442.2 ms (Link to these results)