CC187_HUMAN Loading...

Coiled-coil domain-containing protein 187

AlphaFold DB , UniProt , Accession A0A096LP49, Species HUMAN (Homo sapiens, Human), Gene CCDC187, Length 1,063 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
1M38.3Very low39.5Very low214 Ų214127.7 Ų127.7100%1.05479%0.787SS**  0112.30-50-46.5-18000107.6
2P44.7Very low39.3Very low125 Ų125127.1 Ų127.181%0.81279%0.789SS**  cis-64.3-149.5-9.8-22.536.4000115.2
3T33.6Very low38.8Very low100 Ų100129.2 Ų129.261%0.61379%0.791SS**  173.7133.8-107.8-71.10000108.3
4L34.6Very low38.7Very low155 Ų155124.9 Ų124.981%0.81279%0.785SS**  trans64.7163173.2-63.2168.6000115.7
5V42.3Very low38.4Very low138 Ų138126.2 Ų126.284%0.83678%0.784SS**  cis-126.6154.312.6179.90000111.9
6V35.9Very low38.4Very low120 Ų120127.3 Ų127.373%0.72779%0.79SS**  trans-88.1147.1178.6171.60000112.2T8V6-T8 HydrophobicContact CG1-CG2 4.44Å
7G43Very low38.4Very low80 Ų80126.5 Ų126.583%0.82579%0.787SS**  trans-147.7110.2167.600000112.7
8T36.7Very low38.5Very low129 Ų129128.6 Ų128.679%0.79179%0.786SS**  trans-104.7159.9-175.733.90000113.9V6V6-T8 HydrophobicContact CG1-CG2 4.44Å
9P44.7Very low38.4Very low104 Ų104127.8 Ų127.868%0.67578%0.783SS**  trans-103168.8-169.640.5-37.3000115.4
10P47.5Very low38Very low121 Ų121126.4 Ų126.479%0.78678%0.778SS**  trans-90.3143.4147.435.4-28.3000110.5
11T33.4Very low37.7Very low119 Ų119128.7 Ų128.773%0.7378%0.779SS**  cis84.485.722-46.60000115.3
12C36.6Very low37.7Very low120 Ų120128.4 Ų128.481%0.81177%0.772SS**  trans-154.9123150.4-85.70000106.1
13L33.5Very low37.3Very low155 Ų155129.8 Ų129.881%0.81277%0.773SS**  77.4135.754.9-73.7167.1000114.5
14G36.8Very low37.6Very low68 Ų68129.5 Ų129.570%0.70178%0.775SS**  trans107.557.3-172.600000113.9
15D35.2Very low37.8Very low145 Ų145129.3 Ų129.378%0.77577%0.77SS**  66.2127.279.7-76.5-57.2000116.7
16T37.6Very low37.6Very low143 Ų143130.9 Ų130.988%0.87776%0.761SS**  trans-99.8136.6178.612.70000112.3
17P38.2Very low37.7Very low114 Ų114133.2 Ų133.274%0.7476%0.764SS**  trans-115.6121.2161.933.9-23.3000113
18Q39.8Very low37.3Very low165 Ų165132.7 Ų132.777%0.77176%0.758SS**  trans-92.8132.2159.7-149-91.816.900107.6
19P37.4Very low37.9Very low113 Ų113131.4 Ų131.473%0.73475%0.752SS**  trans-140.2171153.234.4-17.8000114.9
20C29.8Very low37.6Very low100 Ų100135.3 Ų135.368%0.67676%0.759SS**  trans-109.6162.8-169.7-68.10000114.5
21H33.1Very low37Very low175 Ų175133.6 Ų133.681%0.8175%0.75SS**  trans23.5127.3150.5-76.7-82.5000121.3
22K37.9Very low37.2Very low208 Ų208137.3 Ų137.390%0.90476%0.758SS**  -170.2170.3116.7-103.9158.4-174.6175.30114.3
23N36.1Very low37.2Very low153 Ų153135.6 Ų135.682%0.81876%0.761SS**  trans-87.2162.9-170-49.9-31.5000113.7
24S38.8Very low37.3Very low94 Ų94133 Ų13366%0.65776%0.762SS**  159.4132.3102-1650000115.6
25Q38.6Very low37.8Very low151 Ų151136.2 Ų136.271%0.70677%0.77SS**  trans55.2156144-71.6-177.78.400120.8
26R39Very low37.9Very low172 Ų172132.8 Ų132.865%0.64977%0.77SS**  cis-165.4150.29.2-126.5167-156.6-98.76.1111.4
27Q38.3Very low37.8Very low168 Ų168138.1 Ų138.179%0.78577%0.773SS**  trans58.7151.5153.1-66153.8-41.100118.9
28G35.4Very low37.6Very low69 Ų69137.3 Ų137.371%0.71178%0.777SS**  cis120.3159.7-2.100000113.5
29P49.1Very low37.6Very low102 Ų102133.8 Ų133.866%0.66278%0.775SS**  cis-144.7-174-30.729.9-4.7000116.1
30F37Very low37.5Very low187 Ų187135.2 Ų135.282%0.8278%0.777SS**  trans74.1159.3159.9-53.9-46.3000121.1
31S35.1Very low37.7Very low85 Ų85142.2 Ų142.259%0.59479%0.789SS**  cis-172.8167.7-27-88.80000113.9
32H38.3Very low37.8Very low197 Ų197142.5 Ų142.591%0.91279%0.788SS**  trans84.7139.7159.3-57.6-75.1000122.6
33G35.6Very low37.6Very low84 Ų84136.8 Ų136.887%0.86678%0.78SS**  trans144.7114.6158.200000118.4
34A35.7Very low37.6Very low101 Ų101136.2 Ų136.284%0.83578%0.781SS**  trans-165179.8168.400000108.8
35P48.6Very low37.3Very low134 Ų134136 Ų13687%0.8779%0.785SS**  cis-133.5-162.5-2.443.3-24.3000114.4
36G37.4Very low37.2Very low74 Ų74138.2 Ų138.276%0.76379%0.793SS**  trans-174.6164.9172.500000117.8
37R34.6Very low37.2Very low254 Ų254135 Ų13596%0.95879%0.794SS**  trans-152.8169.8-175.9-76.8179.8167.9-112.72.9110.1
38A34.4Very low36.9Very low98 Ų98137.1 Ų137.181%0.8180%0.795SS**  cis-131.7-150.4-2.900000108.4
39A38.9Very low36.7Very low90 Ų90141.3 Ų141.374%0.74480%0.8SS**  cis-152.8164.1-4.300000106.2
40D34.8Very low35.7Very low143 Ų143143 Ų14377%0.76581%0.813SS**  cis89.289.828.2-152.515.1000116.8
41W34.5Very low35.5Very low247 Ų247138.5 Ų138.594%0.93681%0.81SS**  trans-159.9164.5140.258.7-77.2000113.7
42K35.2Very low35.5Very low182 Ų182140.5 Ų140.579%0.79182%0.821SS**  trans-116169.4-168.3-77.2173.6-176.6170.10110.7
43A35.1Very low35Very low87 Ų87135.7 Ų135.772%0.71982%0.816SS**  cis-157.7-165.8-15.500000106.5
44V34.9Very low34.9Very low141 Ų141136.2 Ų136.286%0.85581%0.812SS**  -172.3151.668.4162.90000111.2
45A33.7Very low34.7Very low90 Ų90140 Ų14074%0.74481%0.812SS**  trans-42.7157.1-176.200000122.2
46K36.4Very low34.1Very low197 Ų197140.5 Ų140.586%0.85781%0.807SS**  trans-90.9144158.3-62.7178.3177.6-179.70111.8
47P37.4Very low34Very low104 Ų104144.1 Ų144.168%0.67581%0.809SS**  trans-81.5167155.734-31.6000111.7
48R32.6Very low33.9Very low214 Ų214138.3 Ų138.381%0.80880%0.802SS**  trans-118.1149.9177.5-80-170.8-179.5-1781.7111.3
49L31.3Very low33.8Very low156 Ų156138.1 Ų138.182%0.81780%0.8SS**  trans55.5109.9149.2-66.8164.6000118.6
50C28.6Very low33.5Very low137 Ų137138.1 Ų138.193%0.92680%0.8SS**  -142.9156.3118.2-98.20000108
51A33.1Very low33.7Very low93 Ų93139.5 Ų139.577%0.76981%0.807SS**  trans-116.1141.9175.400000109.9
52P33.8Very low33.8Very low128 Ų128138.4 Ų138.483%0.83180%0.803SS**  trans-88.9166.5157.635.8-30.4000111
53A29.2Very low33.8Very low96 Ų96140.9 Ų140.979%0.79381%0.807SS**  trans-105.7-169.6167.200000110
54A32.7Very low33.9Very low95 Ų95142 Ų14279%0.78581%0.807SS**  trans70.3151-172.700000115.2
55E32.2Very low34.2Very low181 Ų181138 Ų13885%0.84679%0.794SS**  cis-153-137.2-35.6-90.8-135.5136.300104.8
56D35.7Very low34.8Very low143 Ų143140.2 Ų140.277%0.76580%0.801SS**  trans63.898162.8-56-19.1000119.9
57D35Very low34.8Very low151 Ų151136.3 Ų136.381%0.80780%0.799SS**  67.4116.8123.9-78.80.4000125.2
58V31.9Very low34.8Very low131 Ų131140.4 Ų140.479%0.79481%0.809SS**  40.295.4123-165.40000119
59A32.5Very low35.1Very low95 Ų95137.8 Ų137.879%0.78581%0.806SS**  trans-161.8136136.600000115.7
60A33.5Very low35.7Very low90 Ų90135.8 Ų135.874%0.74480%0.802SS**  trans34.893.1142.500000121.5
61L37.4Very low36.2Very low171 Ų171135.9 Ų135.990%0.89579%0.793SS**  trans-117.776137.3-80.7179.9000110.5W63L61-W63 PolarHBondContact O-N 3.45Å
62R36.7Very low37.1Very low225 Ų225136.7 Ų136.785%0.84979%0.791SS**  trans-73.799.4178.3-175.6-177.9-168.9-102.27.5110.3
63W35.2Very low37.4Very low233 Ų233136.5 Ų136.588%0.88379%0.79SS**  trans-59.2133.8166.6-73.894.3000110L61 G65L61-W63 PolarHBondContact O-N 3.45Å; W63-G65 PolarHBondContact O-N 2.72Å; W63-G65 VanDerWaalsContact O-N 3.14Å
64P39.1Very low37.5Very low110 Ų110144.3 Ų144.371%0.71480%0.799SS**  trans-71.7109.2176.628.5-32.8000109.6
65G39.5Very low37.7Very low58 Ų58144.1 Ų144.160%0.59880%0.798SS**PPolyproline II helixtrans-65.6152.2164.100000110.6W63 S67W63-G65 PolarHBondContact O-N 2.72Å; W63-G65 VanDerWaalsContact O-N 3.14Å; G65-S67 PolarHBondContact O-N 3.2Å
66P46Very low37.6Very low136 Ų136139.9 Ų139.988%0.88379%0.794SS**PPolyproline II helixtrans-60.3131.1174.526.5-33.5000109.9
67S36.8Very low37.9Very low116 Ų116138.2 Ų138.281%0.81179%0.79SS**PPolyproline II helixtrans-62.9151175.348.60000111.2G65G65-S67 PolarHBondContact O-N 3.2Å
68Q38.6Very low38Very low189 Ų189138.9 Ų138.988%0.88379%0.788SS**PPolyproline II helixtrans-58.9143.6178.2-71.2178.6-18.400111.6
69Q39.1Very low38.1Very low160 Ų160139.1 Ų139.175%0.74879%0.79SS**PPolyproline II helixtrans-71.3125.1170.4174.7-177.6-41.100108.9
70P42.2Very low38.5Very low114 Ų114141.5 Ų141.574%0.7479%0.794SS**PPolyproline II helixtrans-72.6135.7166.9-12.328.6000109.9
71D39.2Very low38.5Very low138 Ų138140.3 Ų140.374%0.73879%0.791SS**PPolyproline II helixtrans-72140171-68.9-55.2000110.9
72P51.9Low38.5Very low110 Ų110137.9 Ų137.971%0.71479%0.788SS**PPolyproline II helixtrans-74.7129.2175.730-32.9000110.7
73P41.5Very low38.5Very low125 Ų125134.3 Ų134.381%0.81279%0.786SS**PPolyproline II helixtrans-72.7141.4179.129.5-34.4000111.9A75P73-A75 PolarHBondContact O-N 3.43Å
74W31Very low38.8Very low259 Ų259129.9 Ų129.998%0.98178%0.78SS**  trans-79.9112.5179.9-148.2-76.9000110.5
75A35.7Very low38.8Very low92 Ų92131.4 Ų131.476%0.7678%0.781SS**  trans-152104.7172.300000111.2P73P73-A75 PolarHBondContact O-N 3.43Å
76A31.9Very low38.9Very low92 Ų92138.4 Ų138.476%0.7680%0.795SS**  trans-90.6147.8162.800000109.3
77P42Very low38.6Very low107 Ų107139.3 Ų139.370%0.69579%0.787SS**  -135.513512930.2-16.2000113.5
78H36.3Very low38.9Very low166 Ų166139.9 Ų139.977%0.76979%0.788SS**  trans30.3108.3139-47.1-62.5000117.8
79V34.7Very low38.9Very low136 Ų136133.1 Ų133.182%0.82477%0.77SS**  61.8102.287.3176.60000113.1
80V40.4Very low39.1Very low144 Ų144131.4 Ų131.487%0.87377%0.772SS**  -154.3141.9127.5142.80000106
81G32.3Very low39Very low66 Ų66138.3 Ų138.368%0.6878%0.784SS**  trans-135.2156.517400000111
82S38.8Very low39.1Very low119 Ų119135.6 Ų135.683%0.83279%0.788SS**  trans-158.6138.1164.6-69.70000108.3
83D37Very low38.6Very low150 Ų150140.5 Ų140.580%0.80280%0.798SS**  trans-75.4153.6172.5-58-84.7000111.2
84D40.6Very low38.4Very low141 Ų141138.7 Ų138.775%0.75479%0.794SS**  167.7136.1110.2-103.6-34.3000115.2
85L40Very low38.6Very low142 Ų142132 Ų13274%0.74379%0.785SS**  trans41.396.7140.7-62164.8000121.1
86K41.4Very low38.6Very low204 Ų204133.4 Ų133.489%0.88779%0.789SS**  178.5137.5100.8-97.8163.6-177.71670115.2
87E38.1Very low38.9Very low155 Ų155135.9 Ų135.972%0.72479%0.789SS**  trans-93.3150.2171.5-132.2-92.6154.500110.2G89E87-G89 PolarHBondContact OE2-N 2.98Å
88P44.4Very low38.9Very low128 Ų128136.2 Ų136.283%0.83179%0.791SS**  trans-147.1101.9132.434.9-17.3000116.1
89G37.4Very low39Very low48 Ų48135.8 Ų135.850%0.49579%0.791SS.*  71.297.1116.300000119.5E87E87-G89 PolarHBondContact OE2-N 2.98Å
90P43.5Very low39Very low123 Ų123140.9 Ų140.980%0.79980%0.796SS**  trans-84.8136.2171.932.9-33.4000113.6
91W40.8Very low38.9Very low260 Ų260139.5 Ų139.599%0.98579%0.793SS**  trans-117.6118.9170.9-83.542.1000110.7
92G41.1Very low39.2Very low80 Ų80143.2 Ų143.283%0.82580%0.802SS**  trans174.468.6-178.800000116.8
93K40.8Very low39.1Very low213 Ų213140.8 Ų140.893%0.92680%0.797SS**  trans-60.8153.3172-66.5173.5-177.2175.60111.1
94A37.3Very low39.4Very low88 Ų88139.6 Ų139.673%0.72780%0.797SS**  cis-158.2175.3100000107.5
95C36Very low39.4Very low118 Ų118142.6 Ų142.680%0.79781%0.806SS**  cis-151130.535.5-58.10000114.8
96S36.7Very low39.5Very low121 Ų121139.6 Ų139.685%0.84680%0.802SS**  trans27.2115.7146-44.50000121.9
97L36.6Very low39.5Very low145 Ų145139.7 Ų139.776%0.75980%0.797SS**  trans-78.7-174.2147.8-67.3163.4000110
98P43.3Very low39.7Very low113 Ų113138.9 Ų138.973%0.73480%0.797SS**  -133.614779.137.2-25.5000114.1
99M37.1Very low40.1Very low157 Ų157136.3 Ų136.377%0.77380%0.795SS**  trans-124.1128165.2-162-179.3-52.300105.8
100W34.7Very low40Very low243 Ų243142.2 Ų142.292%0.9282%0.815SS**  trans-87.4134.8-174.1-76.358.6000110.5
101S38.8Very low39.8Very low115 Ų115141.6 Ų141.680%0.80481%0.813SS**  trans-113.9150.9178.3-620000110.5
102T38.3Very low39.7Very low144 Ų144134.8 Ų134.888%0.88381%0.805SS**  trans-65.4140.3-177-41.60000113
103G37.3Very low39.5Very low69 Ų69137.5 Ų137.571%0.71181%0.805SS**  trans-128.2132159.800000109.4
104P42.9Very low39.5Very low125 Ų125133.3 Ų133.381%0.81280%0.803SS**  trans-103.1125.6177.834.9-27000111.6
105E40Very low39.6Very low203 Ų203134.7 Ų134.795%0.94981%0.807SS**  trans-147.9165.8168.3-153.3152.5-160.300113.5
106A42.5Very low39.9Very low79 Ų79133.1 Ų133.165%0.65381%0.811SS**  trans-68.7149.4-15100000119.3
107R42.8Very low40.4Very low207 Ų207138.3 Ų138.378%0.78181%0.813SS**  trans78.7124.8134-69.5-83.6169.9-170.9-1.6121.8
108D40.5Very low40.7Very low137 Ų137139.7 Ų139.773%0.73382%0.82SS**  trans50.6118.9136.6-50.9-18.7000119.9
109G53.2Low40.4Very low75 Ų75139.2 Ų139.277%0.77382%0.819SS**  trans174.694.1174.700000112.9
110D35.5Very low40.4Very low172 Ų172137.4 Ų137.492%0.9282%0.821SS**  trans-71.5131.5179.9-62.9-67.8000112.9
111S40.1Very low40.8Very low109 Ų109131.4 Ų131.476%0.76282%0.815SS**  trans-158.1105.2157.961.50000114.2
112S37.6Very low40.9Very low117 Ų117131.9 Ų131.982%0.81882%0.819SS**  trans30.1121.6142.4-560000121.4
113V37.3Very low41.1Very low137 Ų137128.9 Ų128.983%0.8382%0.817SS**  trans-47.9157.2152-71.50000113.6
114S40.4Very low41.2Very low125 Ų125129.3 Ų129.387%0.87482%0.821SS**  trans-139.6109.2163.4-82.30000111.4
115S40.1Very low41.1Very low117 Ų117132.3 Ų132.382%0.81882%0.823SS**  trans-103.3118.7172.7-70.50000109.9R117S115-R117 PolarHBondContact O-N 3.18Å
116G42.7Very low41.1Very low86 Ų86129 Ų12989%0.88781%0.812SS**  trans-82.9108.2174.900000112.4
117R46.3Very low41Very low230 Ų230129.6 Ų129.687%0.86881%0.808SS**  trans-132.9101.6170.5-89.4-174.4170.9-104.36.5111.3S115S115-R117 PolarHBondContact O-N 3.18Å
118L42.3Very low40.7Very low174 Ų174123.8 Ų123.891%0.91180%0.798SS**  trans-150119.5156.1-64.8177000104.7
119S37.2Very low40.6Very low103 Ų103120.6 Ų120.672%0.7278%0.783SS**  cis78.8131.526.3-155.10000114.4
120C37.4Very low39.8Very low119 Ų119121.8 Ų121.880%0.80478%0.78SS**  trans68147.2-177.3-55.60000114.8
121S44.5Very low39.6Very low116 Ų116125 Ų12581%0.81178%0.779SS**  cis-162.2173-12.540.60000110.3
122S40.5Very low39.5Very low126 Ų126129 Ų12988%0.88178%0.783SS**  trans-77.8149.8-176.444.50000115.1
123G41.9Very low39.4Very low81 Ų81130.2 Ų130.284%0.83578%0.775SS**  trans176.2150.6173.100000108.5
124G40.1Very low39.3Very low77 Ų77133.1 Ų133.179%0.79477%0.771SS**  trans-152.3-160.9-169.100000116.5
125H40.5Very low39.6Very low188 Ų188132.6 Ų132.687%0.8777%0.765SS**  trans85.9169.9-176.7-1262.9000117.5
126D40Very low39.9Very low134 Ų134132.3 Ų132.372%0.71776%0.761SS**  trans-116.4-178.6-138.8-74.2-88.2000116.4
127V39.8Very low39.9Very low91 Ų91137.7 Ų137.755%0.55276%0.763SS**  trans103.6153.7161.6-171.30000115.4D349V127-D349 HydrophobicContact CG1-CB 4.33Å
128C37Very low39.7Very low86 Ų86132.6 Ų132.658%0.58176%0.757SS**  trans-163141.1-160.1157.30000110.4D349C128-D349 VanDerWaalsContact C-OD2 3.23Å; C128-D349 WeakPolarHBondContact CA-OD2 3.13Å; C128-D349 PolarHBondContact N-OD2 3.22Å
129V37.3Very low39.8Very low69 Ų69132.5 Ų132.542%0.41876%0.756SS.*  trans-160.5173.4140.4124.20000112.5D349 Q350V129-D349 HydrophobicContact CB-CB 3.97Å; V129-D349 HydrophobicContact CG1-CB 4.44Å; V129-D349 PolarHBondContact N-OD1 2.91Å; V129-D349 PolarHBondContact N-OD2 2.9Å; V129-Q350 WeakPolarHBondContact CG2-O 3.45Å
130S37Very low40.2Very low100 Ų100130 Ų13070%0.69975%0.747SS**  trans-124153.5-165.167.30000114
131W32.2Very low40.4Very low240 Ų240130.2 Ų130.291%0.90975%0.747SS**  trans-129.6156153.249.1-83.5000111.5
132K38.4Very low40.2Very low193 Ų193133.2 Ų133.284%0.83975%0.748SS**  trans-105.9136.8-177.8-63.2168.4-178.6164.20109.8
133E35.3Very low40.4Very low142 Ų142136 Ų13666%0.66475%0.747SS**  trans-149.7178.1137-117.6-140.773.100113.9
134R35.1Very low40.6Very low198 Ų198142.5 Ų142.575%0.74775%0.746SS**  trans-30.9136.2-166.4-71.9161.2168.1112.5-12117.6
135P46.4Very low41.1Very low114 Ų114144.7 Ų144.774%0.7475%0.746SS**  trans-66.4135.9157.930.4-32.9000109.7
136P46.3Very low41.8Very low112 Ų112147.1 Ų147.173%0.72775%0.748SS**  trans-68.5134.2-179.427.9-34.6000111V138P136-V138 HydrophobicContact CB-CG2 4.37Å; P136-V138 PolarHBondContact O-N 2.86Å
137Q43Very low42.8Very low199 Ų199150.7 Ų150.793%0.9376%0.757SS**  trans-80.856.6-178.7-64.7-179.11.300111.9L139Q137-L139 PolarHBondContact O-N 3.17Å
138V42.2Very low44.2Very low122 Ų122148.9 Ų148.974%0.73975%0.748SS**  trans-76.5116.8173179.80000109P136 G140P136-V138 HydrophobicContact CB-CG2 4.37Å; P136-V138 PolarHBondContact O-N 2.86Å; V138-G140 PolarHBondContact O-N 3.39Å
139L44.6Very low46.3Very low172 Ų172149.5 Ų149.590%0.90175%0.746SS**  trans-67.979.8169.2-86.3155.9000109.9Q137Q137-L139 PolarHBondContact O-N 3.17Å
140G45Very low48.6Very low51 Ų51149.9 Ų149.953%0.52676%0.756SS.*  trans-54.1140.6169.200000110.2V138 Q142V138-G140 PolarHBondContact O-N 3.39Å; G140-Q142 PolarHBondContact O-N 3.17Å
141P40.9Very low51Low123 Ų123154.4 Ų154.480%0.79976%0.758SS**  trans-56.4125.1-170.421.8-33.4000110.4Q143P141-Q143 PolarHBondContact O-N 3.11Å
142Q41.5Very low53.8Low179 Ų179146.5 Ų146.584%0.83673%0.733SS**  trans-53.2104.5-176.7-177.3-169.191.700109.4G140 R144G140-Q142 PolarHBondContact O-N 3.17Å; Q142-R144 PolarHBondContact O-N 3.32Å
143Q43.5Very low56.2Low185 Ų185140.6 Ų140.686%0.86471%0.709SS**  trans-65101.2179.5-71.1-162.811.500108.5P141P141-Q143 PolarHBondContact O-N 3.11Å
144R46.6Very low58.9Low218 Ų218139.4 Ų139.482%0.82370%0.703SS**  trans-47.8131.4170.6-74.6-177.1171.6-178.8-2.2107.8Q142 R146Q142-R144 PolarHBondContact O-N 3.32Å; R144-R146 PolarHBondContact O-N 2.92Å
145P50.9Low61.8Low122 Ų122134.4 Ų134.479%0.79269%0.691SS**  trans-52.4112.5176.2-26.434.4000109.4K147P145-K147 PolarHBondContact O-N 3.19Å
146R54.2Low64Low240 Ų240134.7 Ų134.791%0.90668%0.677SS**  trans-55.8118.3171.7-84.1-171.7172-168.3-1.6106.1R144 S148R144-R146 PolarHBondContact O-N 2.92Å; R146-S148 PolarHBondContact O-N 3.5Å
147K62.7Low66.2Low209 Ų209133 Ų13391%0.90966%0.662SS**  trans-45.4110.1-174.8-68178.3178.41780109.2P145 D149P145-K147 PolarHBondContact O-N 3.19Å; K147-D149 PolarHBondContact O-N 2.8Å
148S68.2Low68.8Low52 Ų52129.6 Ų129.636%0.36464%0.644SS.*  trans-56.6138.4177.4-52.90000109.4R146 A150 E153R146-S148 PolarHBondContact O-N 3.5Å; S148-A150 PolarHBondContact O-N 3.14Å; S148-E153 WeakPolarHBondContact CB-OE2 3.49Å; S148-E153 PolarHBondContact OG-OE2 2.94Å
149D80.8Confident71.2Confident100 Ų100128.4 Ų128.454%0.53563%0.633SS.*  trans-58.5121.6154.2175.50.6000106.9K147 R151 L152 E153K147-D149 PolarHBondContact O-N 2.8Å; D149-R151 PolarHBondContact O-N 3.19Å; D149-R151 VanDerWaalsContact O-N 3.1Å; D149-R151 WeakPolarHBondContact OD1-CB 3.48Å; D149-R151 PolarHBondContact OD1-N 3.17Å; D149-L152 HydrophobicContact CB-CB 4.04Å; D149-L152 WeakPolarHBondContact O-CA 3.36Å; D149-L152 WeakPolarHBondContact O-CB 3.22Å; D149-L152 PolarHBondContact O-N 3.4Å; D149-E153 PolarHBondContact O-N 2.95Å
150A87Confident73.5Confident77 Ų77127.2 Ų127.264%0.63662%0.616SS**Hα-helixtrans-56.8-27.217900000112S148 Q154S148-A150 PolarHBondContact O-N 3.14Å; A150-Q154 WeakPolarHBondContact O-CB 3.49Å; A150-Q154 PolarHBondContact O-N 2.91Å
151R86.5Confident75.6Confident194 Ų194127.3 Ų127.373%0.73261%0.612SS**Hα-helixtrans-71.3-33.1173.6-168.2177.2178.4-123.3-2.3112.5D149 L155D149-R151 PolarHBondContact O-N 3.19Å; D149-R151 VanDerWaalsContact O-N 3.1Å; D149-R151 WeakPolarHBondContact OD1-CB 3.48Å; D149-R151 PolarHBondContact OD1-N 3.17Å; R151-L155 WeakPolarHBondContact O-CB 3.46Å; R151-L155 PolarHBondContact O-N 3.37Å
152L90Very high77.9Confident74 Ų74127.9 Ų127.939%0.38760%0.604SS.*Hα-helixtrans-74.3-39172.9-178.363.7000111.4D149 L155 R156D149-L152 HydrophobicContact CB-CB 4.04Å; D149-L152 WeakPolarHBondContact O-CA 3.36Å; D149-L152 WeakPolarHBondContact O-CB 3.22Å; D149-L152 PolarHBondContact O-N 3.4Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.43Å; L152-R156 PolarHBondContact O-N 3.29Å
153E90.3Very high80Confident69 Ų69122.3 Ų122.332%0.32259%0.588SS.*Hα-helixtrans-60.1-50.1172.1-156.479.5-105.900110.4S148 D149 L155 R156 D157S148-E153 WeakPolarHBondContact CB-OE2 3.49Å; S148-E153 PolarHBondContact OG-OE2 2.94Å; D149-E153 PolarHBondContact O-N 2.95Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 2.95Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.45Å; E153-R156 VanDerWaalsContact O-N 3.13Å; E153-D157 PolarHBondContact O-N 3.12Å
154Q92.4Very high81.8Confident117 Ų117122.5 Ų122.555%0.54758%0.581SS.*Hα-helixtrans-61.5-34.8176.6-167.4-172.239.700112.9A150 D157 K158A150-Q154 WeakPolarHBondContact O-CB 3.49Å; A150-Q154 PolarHBondContact O-N 2.91Å; Q154-D157 PolarHBondContact O-N 2.94Å; Q154-K158 PolarHBondContact O-N 3.2Å
155L94.4Very high83.1Confident94 Ų94118.3 Ų118.349%0.49257%0.571SS.*Hα-helixtrans-68.3-43.9174.2179.959.9000111.4R151 L152 E153 D157 K158 I159R151-L155 WeakPolarHBondContact O-CB 3.46Å; R151-L155 PolarHBondContact O-N 3.37Å; L152-L155 PolarHBondContact O-N 2.89Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 2.95Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.34Å; L155-K158 PolarHBondContact O-N 2.97Å; L155-I159 HydrophobicContact CD1-CD1 4.32Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 WeakPolarHBondContact O-CG1 3.37Å; L155-I159 PolarHBondContact O-N 3.17Å
156R93.9Very high84.3Confident120 Ų120119.7 Ų119.745%0.45357%0.567SS.*Hα-helixtrans-58.5-41.1173-72.9166.5173.4176.8-1.8111.1L152 E153 I159 R160L152-R156 VanDerWaalsContact O-CG 3.29Å; L152-R156 WeakPolarHBondContact O-CG 3.43Å; L152-R156 PolarHBondContact O-N 3.29Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.45Å; E153-R156 VanDerWaalsContact O-N 3.13Å; R156-I159 PolarHBondContact O-N 2.94Å; R156-R160 WeakPolarHBondContact O-CG 3.43Å; R156-R160 PolarHBondContact O-N 3.26Å
157D92.9Very high84.9Confident76 Ų76110 Ų11041%0.40654%0.542SS..Hα-helixtrans-66.9-39.1175.8-79.9-32.6000113.9E153 Q154 L155 I159 R160 A161E153-D157 PolarHBondContact O-N 3.12Å; Q154-D157 PolarHBondContact O-N 2.94Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.34Å; D157-I159 VanDerWaalsContact C-N 3.3Å; D157-I159 PolarHBondContact O-N 2.86Å; D157-R160 PolarHBondContact O-N 3.08Å; D157-R160 IonicContact OD1-CZ 3.57Å; D157-R160 IonicContact OD1-NE 3.68Å; D157-R160 PolarHBondContact OD1-NE 3.41Å; D157-R160 IonicContact OD1-NH2 3.64Å; D157-R160 PolarHBondContact OD1-NH2 3.35Å; D157-R160 IonicContact OD2-NH2 3.16Å; D157-A161 WeakPolarHBondContact O-CB 3.19Å; D157-A161 PolarHBondContact O-N 2.95Å
158K95.7Very high85.1Confident127 Ų127103.4 Ų103.455%0.55252%0.522SS*.Hα-helixtrans-61.5-40.1171.8-77.7-179.3174.21800111.7Q154 L155 A161 Q162Q154-K158 PolarHBondContact O-N 3.2Å; L155-K158 PolarHBondContact O-N 2.97Å; K158-A161 PolarHBondContact O-N 2.75Å; K158-Q162 WeakPolarHBondContact O-CB 3.2Å; K158-Q162 WeakPolarHBondContact O-CG 3.35Å; K158-Q162 PolarHBondContact O-N 2.84Å
159I93Very high83.8Confident98 Ų98106 Ų10650%0.50354%0.539SS..Hα-helixtrans-66.6-44.2174.9-65.7164.6000110.9L155 R156 D157 A161 Q162 A163L155-I159 HydrophobicContact CD1-CD1 4.32Å; L155-I159 HydrophobicContact CG-CD1 4.15Å; L155-I159 WeakPolarHBondContact O-CG1 3.37Å; L155-I159 PolarHBondContact O-N 3.17Å; R156-I159 PolarHBondContact O-N 2.94Å; D157-I159 VanDerWaalsContact C-N 3.3Å; D157-I159 PolarHBondContact O-N 2.86Å; I159-A161 VanDerWaalsContact C-N 3.35Å; I159-A161 PolarHBondContact O-N 3.35Å; I159-Q162 PolarHBondContact O-N 2.68Å; I159-A163 WeakPolarHBondContact O-CB 3.4Å; I159-A163 PolarHBondContact O-N 2.91Å
160R93.5Very high82.5Confident147 Ų147105.1 Ų105.156%0.55555%0.546SS*.Hα-helixtrans-56.7-46.6173.6-74.6-166.7-84.2-132.52.1111.4R156 D157 A163 W164R156-R160 WeakPolarHBondContact O-CG 3.43Å; R156-R160 PolarHBondContact O-N 3.26Å; D157-R160 PolarHBondContact O-N 3.08Å; D157-R160 IonicContact OD1-CZ 3.57Å; D157-R160 IonicContact OD1-NE 3.68Å; D157-R160 PolarHBondContact OD1-NE 3.41Å; D157-R160 IonicContact OD1-NH2 3.64Å; D157-R160 PolarHBondContact OD1-NH2 3.35Å; D157-R160 IonicContact OD2-NH2 3.16Å; R160-A163 PolarHBondContact O-N 3.2Å; R160-W164 WeakPolarHBondContact O-CB 3.25Å; R160-W164 PolarHBondContact O-N 3.14Å
161A88.2Confident80.8Confident53 Ų53105.9 Ų105.944%0.43855%0.546SS..Hα-helixtrans-66.7-41.9179.600000113D157 K158 I159 W164 Q165D157-A161 WeakPolarHBondContact O-CB 3.19Å; D157-A161 PolarHBondContact O-N 2.95Å; K158-A161 PolarHBondContact O-N 2.75Å; I159-A161 VanDerWaalsContact C-N 3.35Å; I159-A161 PolarHBondContact O-N 3.35Å; A161-W164 PolarHBondContact O-N 2.84Å; A161-Q165 PolarHBondContact O-N 3.11Å
162Q89.5Confident78.6Confident134 Ų134104.8 Ų104.863%0.62655%0.554SS**Hα-helixtrans-64.5-44174.7-76.6-178.9-45.800111.8K158 I159 W164 Q165 Q166K158-Q162 WeakPolarHBondContact O-CB 3.2Å; K158-Q162 WeakPolarHBondContact O-CG 3.35Å; K158-Q162 PolarHBondContact O-N 2.84Å; I159-Q162 PolarHBondContact O-N 2.68Å; Q162-W164 VanDerWaalsContact C-N 3.32Å; Q162-W164 PolarHBondContact O-N 2.81Å; Q162-Q165 PolarHBondContact O-N 3.26Å; Q162-Q166 WeakPolarHBondContact O-CB 3.3Å; Q162-Q166 VanDerWaalsContact O-CG 3.29Å; Q162-Q166 WeakPolarHBondContact O-CG 3.29Å; Q162-Q166 PolarHBondContact O-N 2.99Å
163A86.1Confident76.2Confident62 Ų62104.2 Ų104.251%0.51257%0.566SS.*Hα-helixtrans-61.7-39.4176.200000112.1I159 R160 G167I159-A163 WeakPolarHBondContact O-CB 3.4Å; I159-A163 PolarHBondContact O-N 2.91Å; R160-A163 PolarHBondContact O-N 3.2Å; A163-G167 PolarHBondContact O-N 3.11Å
164W82.3Confident73.7Confident190 Ų190107.7 Ų107.772%0.7259%0.592SS**Hα-helixtrans-65.8-43175.9-17474.9000112.6R160 A161 Q162 G167 S168R160-W164 WeakPolarHBondContact O-CB 3.25Å; R160-W164 PolarHBondContact O-N 3.14Å; A161-W164 PolarHBondContact O-N 2.84Å; Q162-W164 VanDerWaalsContact C-N 3.32Å; Q162-W164 PolarHBondContact O-N 2.81Å; W164-G167 PolarHBondContact O-N 3.28Å; W164-S168 WeakPolarHBondContact O-CB 3.26Å; W164-S168 PolarHBondContact O-N 2.83Å
165Q73.8Confident71.1Confident130 Ų130107.7 Ų107.761%0.60761%0.605SS**Hα-helixtrans-67.1-39.8175.7-71.2-165.81.700112.8A161 Q162 S168 C169A161-Q165 PolarHBondContact O-N 3.11Å; Q162-Q165 PolarHBondContact O-N 3.26Å; Q165-S168 PolarHBondContact O-N 2.91Å; Q165-C169 PolarHBondContact O-N 3.23Å
166Q74.6Confident68.3Low150 Ų150107.9 Ų107.970%0.70162%0.621SS**Hα-helixtrans-60.2-46.8172.9-72.1-75.1-33.300111.3Q162 S168 C169 A170Q162-Q166 WeakPolarHBondContact O-CB 3.3Å; Q162-Q166 VanDerWaalsContact O-CG 3.29Å; Q162-Q166 WeakPolarHBondContact O-CG 3.29Å; Q162-Q166 PolarHBondContact O-N 2.99Å; Q166-S168 PolarHBondContact O-N 3.26Å; Q166-C169 PolarHBondContact O-N 2.77Å; Q166-A170 PolarHBondContact O-N 2.96Å; Q166-A170 VanDerWaalsContact O-N 3.16Å
167G68.1Low65.9Low37 Ų37108.1 Ų108.138%0.38164%0.638SS.*Hα-helixtrans-63.2-37.8176.700000113.8A163 W164 C169 A170 S171A163-G167 PolarHBondContact O-N 3.11Å; W164-G167 PolarHBondContact O-N 3.28Å; G167-C169 VanDerWaalsContact C-N 3.31Å; G167-C169 PolarHBondContact O-N 3.49Å; G167-A170 PolarHBondContact O-N 3.12Å; G167-S171 PolarHBondContact O-OG 2.77Å; G167-S171 VanDerWaalsContact O-OG 3.09Å
168S65.4Low62.9Low71 Ų71110.2 Ų110.250%0.49766%0.658SS.*Hα-helixtrans-63.2-36.8176.7-169.10000112.2W164 Q165 Q166W164-S168 WeakPolarHBondContact O-CB 3.26Å; W164-S168 PolarHBondContact O-N 2.83Å; Q165-S168 PolarHBondContact O-N 2.91Å; Q166-S168 PolarHBondContact O-N 3.26Å
169C42.5Very low60.1Low107 Ų107109.9 Ų109.972%0.72367%0.672SS**Hα-helixtrans-77.3-27.3178-67.70000113.3Q165 Q166 G167 S171Q165-C169 PolarHBondContact O-N 3.23Å; Q166-C169 PolarHBondContact O-N 2.77Å; G167-C169 VanDerWaalsContact C-N 3.31Å; G167-C169 PolarHBondContact O-N 3.49Å; C169-S171 PolarHBondContact O-N 3.23Å
170A52.8Low57.5Low81 Ų81109.7 Ų109.767%0.66969%0.685SS**THydrogen-bonded Turntrans-71.9-10.417800000114.2Q166 G167 L172Q166-A170 PolarHBondContact O-N 2.96Å; Q166-A170 VanDerWaalsContact O-N 3.16Å; G167-A170 PolarHBondContact O-N 3.12Å; A170-L172 VanDerWaalsContact C-N 3.35Å; A170-L172 PolarHBondContact O-N 2.7Å
171S50.8Low54.8Low93 Ų93107.4 Ų107.465%0.6569%0.691SS**THydrogen-bonded Turntrans-80.5-4.5-172-59.50000115.3G167 C169G167-S171 PolarHBondContact O-OG 2.77Å; G167-S171 VanDerWaalsContact O-OG 3.09Å; C169-S171 PolarHBondContact O-N 3.23Å
172L40.2Very low52.5Low170 Ų170115.8 Ų115.889%0.8971%0.712SS**SBendtrans-114.652.4-177.1-65.9175.1000111.6A170A170-L172 VanDerWaalsContact C-N 3.35Å; A170-L172 PolarHBondContact O-N 2.7Å
173G40.9Very low50.1Low63 Ų63116.4 Ų116.465%0.64972%0.719SS**  trans-119.4-0.6-168.300000117.8
174T36.6Very low47.7Very low141 Ų141122.9 Ų122.987%0.86574%0.738SS**SBendtrans-14657.8-171.645.60000115.1
175S37.5Very low45.6Very low117 Ų117123.1 Ų123.182%0.81874%0.744SS**  trans-156.1112.6157.251.20000112.3P177S175-P177 WeakPolarHBondContact O-CD 3.4Å
176A37.2Very low43.8Very low99 Ų99121.3 Ų121.382%0.81875%0.751SS**  trans-88119.9173.700000110.1S178A176-S178 PolarHBondContact O-N 3.44Å
177P41.7Very low41.8Very low125 Ų125119.7 Ų119.781%0.81276%0.756SS**  trans-78.487.6174.131.6-33.1000110.2S175 S179S175-P177 WeakPolarHBondContact O-CD 3.4Å; P177-S179 PolarHBondContact O-N 2.77Å; P177-S179 VanDerWaalsContact O-N 3.16Å
178S30.6Very low40.1Very low120 Ų120124 Ų12484%0.83978%0.775SS**  trans-67.9108.4165.3-177.20000109.4A176A176-S178 PolarHBondContact O-N 3.44Å
179S36.4Very low39Very low120 Ų120128.7 Ų128.784%0.83979%0.794SS**  trans-158122168.4-79.30000109.5P177P177-S179 PolarHBondContact O-N 2.77Å; P177-S179 VanDerWaalsContact O-N 3.16Å
180A39.6Very low38.6Very low93 Ų93132.2 Ų132.277%0.76980%0.802SS**  trans-110.8168.8-168.800000113.5
181S36.8Very low38.1Very low99 Ų99136.4 Ų136.469%0.69281%0.813SS**  trans77.2153.8166.982.90000117.9
182R39.8Very low37.4Very low229 Ų229143.3 Ų143.386%0.86482%0.824SS**  trans73113.2176.3-52.6171.2-158.9-103.10.7113.8
183L38.2Very low37.5Very low148 Ų148146.8 Ų146.878%0.77583%0.826SS**  cis-147.5119.10.1-87.3163.8000110.8
184H35.8Very low37.4Very low198 Ų198153.6 Ų153.692%0.91784%0.837SS**  trans-125.3109.9153.4-79.3-63.9000107.8
185K39.5Very low37.5Very low194 Ų194150.4 Ų150.484%0.84383%0.832SS**  trans-149.493.2174.4-90.4-163.3171.3-171.50110.8
186A34.8Very low37.4Very low92 Ų92153 Ų15376%0.7683%0.831SS**  trans-174.766163.300000106.3
187S33.2Very low37.1Very low116 Ų116155.9 Ų155.981%0.81183%0.828SS**  7666.281.4-59.50000113.7
188T31.9Very low36.9Very low127 Ų127153.9 Ų153.978%0.77982%0.822SS**  trans-131.169.3165.1-45.80000110M190T188-M190 PolarHBondContact O-N 3.03Å
189L42.1Very low37.6Very low171 Ų171157 Ų15790%0.89582%0.82SS**  trans-89.494.3170-98172.5000109.8L191L189-L191 PolarHBondContact O-N 3.14Å
190M35.3Very low37.7Very low181 Ų181158.3 Ų158.389%0.89282%0.818SS**  trans-75.7101.9162.7-81.6-73.2175.700109.1T188T188-M190 PolarHBondContact O-N 3.03Å
191L40.5Very low38.2Very low169 Ų169159.5 Ų159.589%0.88582%0.817SS**  trans-115.1122.9169.1-165.173.6000109.3L189L189-L191 PolarHBondContact O-N 3.14Å
192R37.8Very low38.5Very low237 Ų237160.2 Ų160.289%0.89482%0.82SS**  trans-123.8114.5-171.9-171.9-175.4-171.8-111.8-1.2112.2
193R40.8Very low38.7Very low244 Ų244155 Ų15592%0.92182%0.815SS**  trans176.9145.7162.8-95.9156.7-165.4-126.35.6107.6
194K39.5Very low38.6Very low206 Ų206152 Ų15290%0.89681%0.812SS**  cis-167.9137.6-22.2-179.8-172.7175.3-1690107.8
195G38.3Very low38.9Very low73 Ų73147.4 Ų147.475%0.75380%0.8SS**  trans81.1154.9178.500000113.4
196Q35.1Very low38.5Very low172 Ų172146.3 Ų146.380%0.80480%0.798SS**  cis-137130.3-9.5-105.3-178.7-77.700106.1
197E31.9Very low38.2Very low160 Ų160147.2 Ų147.275%0.74880%0.798SS**  96.8153.884.4-168.2172.3171.100112.8
198A38Very low38.2Very low82 Ų82147 Ų14768%0.67880%0.796SS**  trans74.9101.5169.800000120.9
199K44Very low38.2Very low187 Ų187143.7 Ų143.781%0.81379%0.787SS**  trans78100.6131-63.7174.9-179.1176.40121.6
200N39Very low37.8Very low146 Ų146144.6 Ų144.678%0.78178%0.784SS**  83.8120127.9-57.1-1.3000121.2
201P49.4Very low37.7Very low118 Ų118141.5 Ų141.577%0.76678%0.78SS**  trans-89.4-164158.843.1-36.9000109.8
202P43.3Very low37.7Very low115 Ų115140.4 Ų140.475%0.74777%0.774SS**  cis-135.6-137.9444-22.1000111.6
203P44.6Very low38Very low118 Ų118136.4 Ų136.477%0.76677%0.769SS**  -113.5-172.2-52.434.1-16.9000112.7
204A36.4Very low37.7Very low86 Ų86129.8 Ų129.871%0.71176%0.76SS**  trans-79.2177.9158.500000110
205P41.4Very low37.6Very low101 Ų101124 Ų12466%0.65675%0.751SS**  cis-150.4-167.82940.9-16.5000118.2
206E31.9Very low37.7Very low172 Ų172125 Ų12580%0.80475%0.753SS**  trans80.2157.5139.9-91.3163.5-129.100124.9
207C28.8Very low37.6Very low111 Ų111124.7 Ų124.775%0.7575%0.751SS**  trans7299.2154.6-74.90000123.2
208S33.3Very low37.9Very low110 Ų110127.1 Ų127.177%0.76975%0.753SS**  76.1123.6106.8-158.80000122.3
209G29.9Very low38Very low58 Ų58133.9 Ų133.960%0.59876%0.761SS**  trans97.9166.3134.400000118.6
210F35.6Very low37.8Very low191 Ų191130.8 Ų130.884%0.83876%0.758SS**  trans61.2111.6166-43.7-75.9000115.5
211S32.8Very low37.6Very low116 Ų116132.6 Ų132.681%0.81176%0.761SS**  cis61.8105.232-162.10000114.4
212I39.6Very low37Very low146 Ų146130.9 Ų130.975%0.74976%0.758SS**  trans-167.1121.2167-109.4151.8000111.2
213L43.7Very low36.8Very low152 Ų152135 Ų13580%0.79676%0.763SS**  trans58.5162.7144.5-52.6-176.7000119.5
214S35Very low36.4Very low105 Ų105133.4 Ų133.473%0.73476%0.76SS**  cis-170.4168.8-14.3-102.50000107.5
215A37.4Very low36.4Very low86 Ų86134.6 Ų134.671%0.71176%0.764SS**  cis-170.4178.6-20.900000108.8
216A40.4Very low36.4Very low94 Ų94139.4 Ų139.478%0.77778%0.777SS**  trans66.7126.5179.100000115.9
217E33.1Very low36.7Very low164 Ų164135.1 Ų135.177%0.76678%0.779SS**  cis79.2106.835.4-162.8-159-147.800114.8
218R39.5Very low37.1Very low211 Ų211139.6 Ų139.680%0.79679%0.789SS**  177.3119.8127-96.3166.1-162.2-154.56.8114.6
219R38.9Very low37.3Very low225 Ų225137.9 Ų137.985%0.84979%0.788SS**  59135.7127.7-69.3-174.5178-137.1-2.3123.3
220V40.7Very low37.7Very low122 Ų122146.3 Ų146.374%0.73980%0.802SS**  trans7793.2140.3174.90000118.8
221E34.9Very low37.6Very low183 Ų183145.9 Ų145.986%0.85580%0.802SS**  50.7156.2104.1-160.1166.5-152.400122.3
222A35.2Very low38.3Very low83 Ų83148.4 Ų148.469%0.68681%0.806SS**  trans98.795160.200000120.7
223K39.5Very low37.9Very low200 Ų200145.8 Ų145.887%0.8780%0.801SS**  59.4105.7124.7-64.2-80.2-174.9171.30121.5
224A36.4Very low37.6Very low85 Ų85149.8 Ų149.870%0.70281%0.805SS**  91.1159.7110.700000122.5
225S37Very low37.7Very low112 Ų112150.7 Ų150.778%0.78381%0.806SS**  trans76.2108.5158.7-590000120.1
226H40.2Very low37.8Very low202 Ų202151.6 Ų151.694%0.93581%0.807SS**  trans-119.7135.7144.1-109.234.5000109.6
227G40Very low37.9Very low81 Ų81153.8 Ų153.884%0.83580%0.801SS**  trans-85161.1-169.300000114.9
228Q35.3Very low37.9Very low206 Ų206153.2 Ų153.296%0.96380%0.798SS**  trans-85.8137.7-178.9-178178.4-6.400111.4
229G38.6Very low37.9Very low73 Ų73151.9 Ų151.975%0.75380%0.801SS**  trans-150.554.6-163.300000118.5
230R38Very low37.6Very low236 Ų236147.5 Ų147.589%0.89180%0.799SS**  trans54.4129.1158.5-73.2-176.4170-86.2-0121.3
231E33.9Very low37.6Very low182 Ų182147 Ų14785%0.8580%0.798SS**  trans-70.7166.7151.8-53.5167.996.600112.3
232L46.5Very low37.6Very low168 Ų168144.2 Ų144.288%0.8879%0.793SS**  trans-160.8162.5132.1-108.9179000112.1
233S32.4Very low37.5Very low92 Ų92147.8 Ų147.864%0.64380%0.8SS**  trans-134.3145.2-169.1174.60000113.7
234R37.1Very low37.4Very low236 Ų236148.6 Ų148.689%0.89180%0.797SS**  trans-174.6139.6153.3-92.6138.5-164.4-101.13108.5
235V37.5Very low37.5Very low124 Ų124151.7 Ų151.775%0.75280%0.797SS**  cis97.7140.128171.70000113.3
236S38.3Very low37.6Very low104 Ų104155.3 Ų155.373%0.72780%0.799SS**  trans77.1147.3166.3175.30000117.6
237Q42.2Very low37.8Very low141 Ų141152.2 Ų152.266%0.65980%0.797SS**  cis-173.4160.7-31.3-129.4157.2-62.600111.6
238H34.1Very low37.6Very low152 Ų152157 Ų15770%0.70480%0.795SS**  trans69.9157.4149-71.1-49.6000125.7
239Q39Very low37.7Very low183 Ų183159.2 Ų159.286%0.85579%0.794SS**  trans86.575.7151-78.2168.9108.300124.7
240V32.3Very low37.7Very low132 Ų132160.7 Ų160.780%0.879%0.789SS**  -23.2155.9120.61620000116.3
241P41Very low37.8Very low112 Ų112158.6 Ų158.673%0.72779%0.786SS**  cis-140.4-142.3-24.841.9-20000115.1
242V36Very low37.8Very low124 Ų124154.6 Ų154.675%0.75278%0.778SS**  trans107.793.4158-168.30000121.1
243L32.1Very low37.4Very low158 Ų158151.5 Ų151.583%0.82777%0.77SS**  21.5108.2122.2-158.1155.5000122.7
244R37.4Very low37.4Very low217 Ų217151.5 Ų151.582%0.81977%0.77SS**  trans179.2162143.2-101-164.4-168.5-126.312.1107.5
245E39.7Very low37.4Very low150 Ų150144.2 Ų144.270%0.70176%0.755SS**  cis-156.6175.7-24.3-169.4160.5-16700107.5
246K37.8Very low37.4Very low189 Ų189146.6 Ų146.682%0.82276%0.755SS**  trans-108.1156.4-178.5-69.5-178.9-178.31710113
247P44.8Very low37.4Very low136 Ų136152.6 Ų152.688%0.88376%0.762SS**  -125173.5123.126.5-13.3000113.5
248K36.6Very low37Very low183 Ų183152.1 Ų152.180%0.79676%0.759SS**  trans-145.7114.3-159.5179.4-172.3179.5-171.30110.8
249R37.4Very low37.1Very low252 Ų252153.1 Ų153.195%0.95176%0.762SS**  trans-134.7167.9169.6-77.5-167.9175.4-166-0.5111.2
250V38.9Very low37Very low104 Ų104150.5 Ų150.563%0.6376%0.759SS**  -165.4151.3-94.5144.30000109.3
251K38.4Very low37.3Very low191 Ų191150 Ų15083%0.8376%0.758SS**  trans75158.4-178.5-63.1152.2-177.6-177.70116
252S33.8Very low37.1Very low99 Ų99153.9 Ų153.969%0.69276%0.763SS**  156.4135.1-53.5590000111.8
253S38.3Very low37Very low102 Ų102155 Ų15571%0.71377%0.765SS**  trans138.8164.213673.50000114.7R603S253-R603 PolarHBondContact OG-NH1 2.98Å
254S33.4Very low37.2Very low92 Ų92153.1 Ų153.164%0.64376%0.762SS**  trans-124.2174.3-165.855.90000112.6R603S254-R603 WeakPolarHBondContact O-CD 3.35Å; S254-R603 PolarHBondContact O-NE 2.92Å; S254-R603 VanDerWaalsContact O-NE 3.08Å; S254-R603 PolarHBondContact O-NH1 3.45Å; S254-R603 VanDerWaalsContact O-NH1 3.13Å
255C35.6Very low36.9Very low84 Ų84148.2 Ų148.257%0.56876%0.761SS**  trans-154.1151.5166.154.90000113.9R603C255-R603 HydrophobicContact CB-CB 3.49Å; C255-R603 VanDerWaalsContact CB-CB 3.49Å; C255-R603 HydrophobicContact CB-CG 3.5Å; C255-R603 VanDerWaalsContact CB-CG 3.5Å
256K37.5Very low36.8Very low173 Ų173146.5 Ų146.575%0.75276%0.762SS**  trans-131.1154.4170.9-108.3-164174.8-165.20108.7P604K256-P604 VanDerWaalsContact O-CD 3.26Å; K256-P604 WeakPolarHBondContact O-CD 3.33Å
257R38.4Very low36.4Very low231 Ų231149.1 Ų149.187%0.87277%0.767SS**  trans-146.8167.6147.6-148.3176-177.2-175.11109.4P604R257-P604 HydrophobicContact CG-CG 4.45Å
258E34.4Very low36Very low131 Ų131154.3 Ų154.361%0.61277%0.769SS**  trans-149.8163.2-164-165.7-168.3106.300110.2
259K37.1Very low35.9Very low172 Ų172150.8 Ų150.875%0.74877%0.774SS**  trans74149.7175.8-46.3-173.4-176-177.20113
260T36Very low35.9Very low129 Ų129143.4 Ų143.479%0.79177%0.767SS**  cis-149.1150.231.4-59.20000111.6
261P38.3Very low35.8Very low122 Ų122148 Ų14879%0.79278%0.778SS**  trans-90.5139.7-176.134.4-35.5000116
262K37.3Very low35.6Very low192 Ų192145.6 Ų145.684%0.83577%0.774SS**  trans-160.3154.8162-77.8-166.4171.9-178.40107.5
263L34.2Very low35.9Very low149 Ų149150.5 Ų150.578%0.7878%0.783SS**  cis-157.1157.5-18.8-100169.6000106.9
264P36.7Very low35.9Very low118 Ų118153.9 Ų153.977%0.76679%0.787SS**  trans-89.3132.7-174.734.1-32.9000114
265S29.9Very low36.4Very low114 Ų114158 Ų15880%0.79779%0.794SS**  trans-171.8160.8171.8-149.20000111.7
266P38.9Very low37.1Very low113 Ų113161.2 Ų161.273%0.73481%0.805SS**  -124.4179.2-52.636.2-24.1000112.3
267R29.6Very low37.7Very low245 Ų245161 Ų16193%0.92581%0.807SS**  trans-57.3140.7174.1-65.4176.3175.1178.8-2.4112.3
268R36.3Very low38.2Very low245 Ų245157 Ų15793%0.92580%0.803SS**  trans-130.6130.2144.3-71.4-165.8-177.8-159.42.1108.8
269A32.9Very low39.2Very low109 Ų109155.9 Ų155.990%0.90181%0.81SS**  trans-84.6138.1176.900000110.5
270A38Very low40Very low96 Ų96151.6 Ų151.679%0.79379%0.793SS**  trans-148.894.9175.800000111.1
271K37.4Very low41.5Very low200 Ų200152 Ų15287%0.8779%0.789SS**  trans34.1103.8160.7-68.8-175.9174.2-1780118.1
272D33.1Very low43.2Very low141 Ų141152 Ų15275%0.75479%0.786SS**  trans3.8118.9131.4-178.18.5000116.2H274D272-H274 PolarHBondContact OD1-N 2.89Å
273K39.9Very low45.3Very low202 Ų202145.4 Ų145.488%0.87877%0.774SS**  trans-135.473.7159.9-83.2-157.2168.5-166.40110.6K275K273-K275 PolarHBondContact O-N 3.47Å
274H39.2Very low47.5Very low173 Ų173141.5 Ų141.580%0.80176%0.756SS**  trans-63.777.3166.2-159.9-64.2000112.1D272D272-H274 PolarHBondContact OD1-N 2.89Å
275K44Very low49.6Very low178 Ų178141.3 Ų141.377%0.77474%0.74SS**  trans-177.998.8167.9-104.4154.9-172.81780111.7K273K273-K275 PolarHBondContact O-N 3.47Å
276D49.5Very low52.2Low152 Ų152138.4 Ų138.481%0.81372%0.723SS**SBendtrans-176.9-5.8154.9-106.2-18.3000113.7D278D276-D278 PolarHBondContact O-N 3.34Å
277E51Low54.4Low169 Ų169141.3 Ų141.379%0.7972%0.72SS**G310 helixtrans-63.5-21.9179.2-65.9-85119.100114.3S279 E280E277-S279 PolarHBondContact O-N 2.9Å; E277-E280 PolarHBondContact O-N 2.67Å
278D48.9Very low57.2Low146 Ų146135.7 Ų135.778%0.78170%0.699SS**G310 helixtrans-70.43.2-167.3-58.2-49.8000115.6D276D276-D278 PolarHBondContact O-N 3.34Å
279S54.6Low59.6Low109 Ų109129.1 Ų129.176%0.76268%0.677SS**G310 helixtrans-100.4-1.5-178.2-66.20000114.8E277 L281E277-S279 PolarHBondContact O-N 2.9Å; S279-L281 PolarHBondContact O-N 3.02Å
280E54.8Low62.2Low82 Ų82125.5 Ų125.538%0.38365%0.65SS.*SBendtrans-71117.9169.7-64.1-128.5138.200110.6E277 V282 R288E277-E280 PolarHBondContact O-N 2.67Å; E280-V282 PolarHBondContact O-N 3.25Å; E280-V282 VanDerWaalsContact O-N 3.13Å; E280-R288 IonicContact OE1-CZ 2.7Å; E280-R288 VanDerWaalsContact OE1-CZ 3.25Å; E280-R288 IonicContact OE1-NH1 2.67Å; E280-R288 IonicContact OE1-NH2 3.15Å; E280-R288 PolarHBondContact OE1-NH2 3.23Å; E280-R288 IonicContact OE2-CZ 2.83Å; E280-R288 VanDerWaalsContact OE2-CZ 3.26Å; E280-R288 IonicContact OE2-NE 2.79Å; E280-R288 PolarHBondContact OE2-NE 3.16Å; E280-R288 IonicContact OE2-NH2 3.81Å; E280-R288 PolarHBondContact OE2-NH2 3.04Å
281L67.3Low64.4Low137 Ų137124.1 Ų124.172%0.71763%0.627SS**  trans-51.5123.6170.2-70173.2000109.3S279 G283 V284 Y285S279-L281 PolarHBondContact O-N 3.02Å; L281-G283 PolarHBondContact O-N 3.01Å; L281-V284 HydrophobicContact CB-CG2 4.1Å; L281-V284 WeakPolarHBondContact O-CB 3.32Å; L281-V284 PolarHBondContact O-N 3.37Å; L281-Y285 PolarHBondContact O-N 3.39Å
282V74.2Confident66.6Low121 Ų121116.7 Ų116.773%0.73360%0.603SS**Hα-helixtrans-48.2-37.3-169.8179.20000113.4E280 V284 Y285 A286E280-V282 PolarHBondContact O-N 3.25Å; E280-V282 VanDerWaalsContact O-N 3.13Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 2.94Å; V282-Y285 PolarHBondContact O-N 3.44Å; V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.4Å; V282-A286 PolarHBondContact O-N 3.02Å
283G81.6Confident68.9Low55 Ų55113.8 Ų113.857%0.56759%0.587SS**Hα-helixtrans-64.6-28.8176.500000115.2L281 W287L281-G283 PolarHBondContact O-N 3.01Å; G283-W287 VanDerWaalsContact O-CB 3.23Å; G283-W287 WeakPolarHBondContact O-CB 3.5Å; G283-W287 PolarHBondContact O-N 2.92Å
284V79.9Confident71Confident67 Ų67107.4 Ų107.441%0.40657%0.565SS.*Hα-helixtrans-80.6-39.4177.7-167.30000110.9L281 V282 W287 R288L281-V284 HydrophobicContact CB-CG2 4.1Å; L281-V284 WeakPolarHBondContact O-CB 3.32Å; L281-V284 PolarHBondContact O-N 3.37Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 2.94Å; V284-W287 PolarHBondContact O-N 3.47Å; V284-R288 VanDerWaalsContact CG1-NH2 3.31Å; V284-R288 PolarHBondContact O-N 3.41Å
285Y80.9Confident73Confident113 Ų113105.8 Ų105.844%0.44355%0.552SS.*Hα-helixtrans-62.2-47.9170178.5-103.1000110.8L281 V282 W287 R288 K289L281-Y285 PolarHBondContact O-N 3.39Å; V282-Y285 PolarHBondContact O-N 3.44Å; Y285-W287 VanDerWaalsContact C-N 3.34Å; Y285-W287 PolarHBondContact O-N 3.46Å; Y285-R288 PolarHBondContact O-N 3.49Å; Y285-R288 VanDerWaalsContact O-N 3.15Å; Y285-K289 HydrophobicContact CD1-CG 4.39Å; Y285-K289 HydrophobicContact CE1-CG 3.99Å; Y285-K289 HydrophobicContact CE2-CG 4.38Å; Y285-K289 PolarHBondContact O-N 2.94Å; Y285-K289 WeakPolarHBondContact OH-CE 3.39Å
286A83.8Confident74.9Confident53 Ų53102.2 Ų102.244%0.43855%0.549SS..Hα-helixtrans-60.3-39.4174.600000112.5V282 K289 G290V282-A286 VanDerWaalsContact O-CB 3.23Å; V282-A286 WeakPolarHBondContact O-CB 3.4Å; V282-A286 PolarHBondContact O-N 3.02Å; A286-K289 PolarHBondContact O-N 3.47Å; A286-G290 PolarHBondContact O-N 3.48Å
287W84.7Confident76.5Confident174 Ų174100.7 Ų100.766%0.65954%0.54SS*.Hα-helixtrans-63.7-43173.1177.7-96.7000112.2G283 V284 Y285 G290 Q291G283-W287 VanDerWaalsContact O-CB 3.23Å; G283-W287 WeakPolarHBondContact O-CB 3.5Å; G283-W287 PolarHBondContact O-N 2.92Å; V284-W287 PolarHBondContact O-N 3.47Å; Y285-W287 VanDerWaalsContact C-N 3.34Å; Y285-W287 PolarHBondContact O-N 3.46Å; W287-G290 PolarHBondContact O-N 2.79Å; W287-Q291 HydrophobicContact CD2-CG 4.45Å; W287-Q291 HydrophobicContact CZ2-CG 4.38Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.34Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 VanDerWaalsContact O-CG 3.27Å; W287-Q291 WeakPolarHBondContact O-CG 3.45Å; W287-Q291 PolarHBondContact O-N 2.72Å
288R88.6Confident78.1Confident128 Ų12899.6 Ų99.648%0.48354%0.539SS..Hα-helixtrans-64.1-44.1174.8-97.1-176.7-78.3-127.7-9.6112.4E280 V284 Y285 Q291 A292E280-R288 IonicContact OE1-CZ 2.7Å; E280-R288 VanDerWaalsContact OE1-CZ 3.25Å; E280-R288 IonicContact OE1-NH1 2.67Å; E280-R288 IonicContact OE1-NH2 3.15Å; E280-R288 PolarHBondContact OE1-NH2 3.23Å; E280-R288 IonicContact OE2-CZ 2.83Å; E280-R288 VanDerWaalsContact OE2-CZ 3.26Å; E280-R288 IonicContact OE2-NE 2.79Å; E280-R288 PolarHBondContact OE2-NE 3.16Å; E280-R288 IonicContact OE2-NH2 3.81Å; E280-R288 PolarHBondContact OE2-NH2 3.04Å; V284-R288 VanDerWaalsContact CG1-NH2 3.31Å; V284-R288 PolarHBondContact O-N 3.41Å; Y285-R288 PolarHBondContact O-N 3.49Å; Y285-R288 VanDerWaalsContact O-N 3.15Å; R288-Q291 PolarHBondContact O-N 3.39Å; R288-A292 WeakPolarHBondContact O-CB 3.45Å; R288-A292 PolarHBondContact O-N 2.86Å
289K87.3Confident79.6Confident107 Ų10794 Ų9447%0.46552%0.516SS..Hα-helixtrans-61.2-42.6173.2-81.1-78.7-170.71650111.7Y285 A286 A292 L293Y285-K289 HydrophobicContact CD1-CG 4.39Å; Y285-K289 HydrophobicContact CE1-CG 3.99Å; Y285-K289 HydrophobicContact CE2-CG 4.38Å; Y285-K289 PolarHBondContact O-N 2.94Å; Y285-K289 WeakPolarHBondContact OH-CE 3.39Å; A286-K289 PolarHBondContact O-N 3.47Å; K289-A292 PolarHBondContact O-N 3.47Å; K289-L293 VanDerWaalsContact O-CB 3.31Å; K289-L293 WeakPolarHBondContact O-CB 3.43Å; K289-L293 PolarHBondContact O-N 3.48Å
290G88.5Confident80.7Confident33 Ų3394.1 Ų94.134%0.3451%0.514SS..Hα-helixtrans-61.9-4417400000112.9A286 W287 A292 L293 V294A286-G290 PolarHBondContact O-N 3.48Å; W287-G290 PolarHBondContact O-N 2.79Å; G290-A292 VanDerWaalsContact C-N 3.32Å; G290-A292 PolarHBondContact O-N 2.83Å; G290-L293 PolarHBondContact O-N 3.16Å; G290-V294 WeakPolarHBondContact O-CB 3.32Å; G290-V294 VanDerWaalsContact O-CG2 3.31Å; G290-V294 WeakPolarHBondContact O-CG2 3.48Å; G290-V294 PolarHBondContact O-N 3.12Å
291Q83.2Confident81.4Confident67 Ų6794.5 Ų94.531%0.31352%0.524SS..Hα-helixtrans-67.5-29.1174.6-71.4-72.5-29.100113.1W287 R288 R295W287-Q291 HydrophobicContact CD2-CG 4.45Å; W287-Q291 HydrophobicContact CZ2-CG 4.38Å; W287-Q291 VanDerWaalsContact CZ2-NE2 3.34Å; W287-Q291 WeakPolarHBondContact O-CB 3.3Å; W287-Q291 VanDerWaalsContact O-CG 3.27Å; W287-Q291 WeakPolarHBondContact O-CG 3.45Å; W287-Q291 PolarHBondContact O-N 2.72Å; R288-Q291 PolarHBondContact O-N 3.39Å; Q291-R295 WeakPolarHBondContact O-CG 3.34Å; Q291-R295 PolarHBondContact O-N 3.39Å
292A83.2Confident81Confident44 Ų4493.5 Ų93.536%0.36453%0.525SS..Hα-helixtrans-72.1-4717100000111.2R288 K289 G290 V294 R295 S296R288-A292 WeakPolarHBondContact O-CB 3.45Å; R288-A292 PolarHBondContact O-N 2.86Å; K289-A292 PolarHBondContact O-N 3.47Å; G290-A292 VanDerWaalsContact C-N 3.32Å; G290-A292 PolarHBondContact O-N 2.83Å; A292-V294 VanDerWaalsContact C-N 3.32Å; A292-V294 PolarHBondContact O-N 3.06Å; A292-R295 CarbonylContact O-C 3.5Å; A292-R295 WeakPolarHBondContact O-CA 3.44Å; A292-R295 WeakPolarHBondContact O-CB 3.09Å; A292-R295 PolarHBondContact O-N 2.87Å; A292-S296 PolarHBondContact O-N 2.87Å; A292-S296 PolarHBondContact O-OG 3.16Å
293L83Confident80.1Confident80 Ų8094.4 Ų94.442%0.41953%0.531SS..Hα-helixtrans-61.8-37.5177.7-176.4137.5000112.1K289 G290 R295 S296 L297K289-L293 VanDerWaalsContact O-CB 3.31Å; K289-L293 WeakPolarHBondContact O-CB 3.43Å; K289-L293 PolarHBondContact O-N 3.48Å; G290-L293 PolarHBondContact O-N 3.16Å; L293-R295 VanDerWaalsContact C-N 3.34Å; L293-R295 PolarHBondContact O-N 3.43Å; L293-S296 PolarHBondContact O-N 3.26Å; L293-L297 HydrophobicContact CD2-CD1 3.57Å; L293-L297 HydrophobicContact CD2-CG 4.4Å; L293-L297 HydrophobicContact CG-CD1 4.12Å; L293-L297 HydrophobicContact CG-CG 4.49Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 WeakPolarHBondContact O-CG 3.44Å; L293-L297 PolarHBondContact O-N 2.91Å
294V82.9Confident78.4Confident67 Ų6799.1 Ų99.141%0.40654%0.542SS..Hα-helixtrans-58.1-42.4169161.60000111.9G290 A292 L298G290-V294 WeakPolarHBondContact O-CB 3.32Å; G290-V294 VanDerWaalsContact O-CG2 3.31Å; G290-V294 WeakPolarHBondContact O-CG2 3.48Å; G290-V294 PolarHBondContact O-N 3.12Å; A292-V294 VanDerWaalsContact C-N 3.32Å; A292-V294 PolarHBondContact O-N 3.06Å; V294-L298 HydrophobicContact CG1-CD1 4.4Å; V294-L298 WeakPolarHBondContact O-CB 3.49Å; V294-L298 PolarHBondContact O-N 2.71Å
295R82.1Confident76.6Confident140 Ų140106.8 Ų106.853%0.52856%0.564SS.*Hα-helixtrans-72.6-27.3176.4-68.2171.6-174124.3-0.1113.4Q291 A292 L293 G299Q291-R295 WeakPolarHBondContact O-CG 3.34Å; Q291-R295 PolarHBondContact O-N 3.39Å; A292-R295 CarbonylContact O-C 3.5Å; A292-R295 WeakPolarHBondContact O-CA 3.44Å; A292-R295 WeakPolarHBondContact O-CB 3.09Å; A292-R295 PolarHBondContact O-N 2.87Å; L293-R295 VanDerWaalsContact C-N 3.34Å; L293-R295 PolarHBondContact O-N 3.43Å; R295-G299 WeakPolarHBondContact CA-O 3.36Å; R295-G299 CarbonylContact O-C 3.58Å; R295-G299 WeakPolarHBondContact O-CA 3.34Å; R295-G299 PolarHBondContact O-N 2.95Å
296S82.5Confident74.7Confident103 Ų103111.8 Ų111.872%0.7258%0.582SS**Hα-helixtrans-75.6-35.4173.9-59.50000112.5A292 L293A292-S296 PolarHBondContact O-N 2.87Å; A292-S296 PolarHBondContact O-OG 3.16Å; L293-S296 PolarHBondContact O-N 3.26Å
297L84.4Confident72.6Confident119 Ų119117.7 Ų117.762%0.62360%0.6SS**Hα-helixtrans-88.1-35-177.5-68.3177.7000114.1L293L293-L297 HydrophobicContact CD2-CD1 3.57Å; L293-L297 HydrophobicContact CD2-CG 4.4Å; L293-L297 HydrophobicContact CG-CD1 4.12Å; L293-L297 HydrophobicContact CG-CG 4.49Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 WeakPolarHBondContact O-CG 3.44Å; L293-L297 PolarHBondContact O-N 2.91Å
298L84.6Confident70.4Confident147 Ų147117.5 Ų117.577%0.7761%0.606SS**SBendtrans-106.86.6-179.3-60.4175.9000112.9V294V294-L298 HydrophobicContact CG1-CD1 4.4Å; V294-L298 WeakPolarHBondContact O-CB 3.49Å; V294-L298 PolarHBondContact O-N 2.71Å
299G79.8Confident68.1Low28 Ų28116.2 Ų116.229%0.28962%0.617SS.*  trans69.8-176.5-173.500000114R295R295-G299 WeakPolarHBondContact CA-O 3.36Å; R295-G299 CarbonylContact O-C 3.58Å; R295-G299 WeakPolarHBondContact O-CA 3.34Å; R295-G299 PolarHBondContact O-N 2.95Å
300P76.6Confident65.8Low111 Ų111120.4 Ų120.472%0.72164%0.635SS**SBendtrans-64.6136.5170.928.1-33.6000110
301P70.6Confident63.3Low91 Ų91125.7 Ų125.759%0.59166%0.655SS**PPolyproline II helixtrans-60.5139.5178.825.9-34.5000110.3V303P301-V303 PolarHBondContact O-N 3.07Å
302P59Low61.6Low116 Ų116128.6 Ų128.675%0.75368%0.68SS**PPolyproline II helixtrans-59.1123.8-171.722-33.3000111L304P302-L304 VanDerWaalsContact C-N 3.28Å; P302-L304 PolarHBondContact O-N 3.34Å
303V55.9Low59.2Low140 Ų140131.1 Ų131.185%0.84870%0.695SS**  trans-72.386.1178.6-176.20000108.7P301 R305P301-V303 PolarHBondContact O-N 3.07Å; V303-R305 PolarHBondContact O-N 2.86Å
304L45.3Very low57.1Low153 Ų153137.5 Ų137.580%0.80171%0.713SS**  trans-54.1110.2166.9-66.6178000107.9P302 R306P302-L304 VanDerWaalsContact C-N 3.28Å; P302-L304 PolarHBondContact O-N 3.34Å; L304-R306 PolarHBondContact O-N 3.31Å
305R42Very low54.8Low229 Ų229141 Ų14186%0.86473%0.73SS**  trans-53.2117.5171.8-85-169.9170.8-165.8-1.1107.3V303 H307V303-R305 PolarHBondContact O-N 2.86Å; R305-H307 PolarHBondContact O-N 2.88Å
306R40.1Very low52.8Low217 Ų217139.4 Ų139.482%0.81974%0.737SS**  trans-58.2111.1168.9-70.8-171.8-179.6-157.52106.6L304 H308L304-R306 PolarHBondContact O-N 3.31Å; R306-H308 PolarHBondContact O-CD2 3.48Å; R306-H308 PolarHBondContact O-N 3.22Å
307H40Very low50.5Low178 Ų178138.9 Ų138.982%0.82474%0.739SS**  trans-62.1107.8164.5-84.8-105.3000106.4R305 S309R305-H307 PolarHBondContact O-N 2.88Å; H307-S309 PolarHBondContact O-N 3.21Å
308H39.4Very low48.3Very low170 Ų170141.4 Ų141.479%0.78775%0.753SS**  trans-71.578170.4-72.8-97.9000107.7R306 K310R306-H308 PolarHBondContact O-CD2 3.48Å; R306-H308 PolarHBondContact O-N 3.22Å; H308-K310 VanDerWaalsContact C-N 3.31Å; H308-K310 PolarHBondContact O-N 3.2Å
309S39Very low46.2Very low101 Ų101140.2 Ų140.271%0.70675%0.752SS**  trans-60.298.3163.951.80000107.3H307 D311H307-S309 PolarHBondContact O-N 3.21Å; S309-D311 PolarHBondContact O-N 3.19Å
310K40.8Very low44.5Very low195 Ų195145.6 Ų145.685%0.84878%0.778SS**  trans-61.4121.5168.1-76.9176.7172.6176.70107.2H308 P312H308-K310 VanDerWaalsContact C-N 3.31Å; H308-K310 PolarHBondContact O-N 3.2Å; K310-P312 WeakPolarHBondContact O-CD 3.48Å
311D35.4Very low42.8Very low144 Ų144146.8 Ų146.877%0.7778%0.779SS**  trans-58.5126.9169.1-62.3-59.8000109.2S309 S313S309-D311 PolarHBondContact O-N 3.19Å; D311-S313 PolarHBondContact O-N 2.93Å
312P46.3Very low41.4Very low128 Ų128150.7 Ų150.783%0.83179%0.794SS**  trans-69.196.6166.9-15.331000108.4K310K310-P312 WeakPolarHBondContact O-CD 3.48Å
313S34.4Very low40.4Very low96 Ų96148.2 Ų148.267%0.67179%0.789SS**  trans-84.5136.1169.9710000109.9D311D311-S313 PolarHBondContact O-N 2.93Å
314R38.9Very low39.5Very low215 Ų215149 Ų14981%0.81179%0.789SS**  trans79.3150.8-174.8-50.9-175.8-175.5-156.31.2113.8
315D34.2Very low39.2Very low140 Ų140147.1 Ų147.175%0.74979%0.789SS**  cis-121.6169.48.9-99.8-51.9000113.8
316P40.6Very low39.2Very low106 Ų106143.1 Ų143.169%0.68878%0.78SS**  trans-90.5153.2-175.336.2-34.9000114.3
317A32.5Very low39.2Very low92 Ų92140.9 Ų140.976%0.7678%0.776SS**  trans39.710914900000119.7
318L39.5Very low39Very low173 Ų173138 Ų13891%0.90677%0.771SS**  trans-125129.5136.1-78.1179.2000109.6
319T39.4Very low38.9Very low122 Ų122137.7 Ų137.775%0.74877%0.773SS**  trans-75.8137.6167.4-320000108.2
320V44.6Very low38.7Very low140 Ų140137.5 Ų137.585%0.84878%0.777SS**  trans-104.499.6165.3177.50000107.1
321D39.9Very low38.6Very low137 Ų137133.1 Ų133.173%0.73378%0.778SS**  trans-85.2153.7161.6-89.4-56000109.7
322L41.6Very low38.6Very low172 Ų172136 Ų13690%0.90178%0.783SS**  trans-64.7140156.7-9453.2000107.7
323G38.8Very low38Very low64 Ų64136.5 Ų136.566%0.6679%0.788SS**  cis116.57915.200000109.4
324D36.6Very low37.8Very low157 Ų157137.1 Ų137.184%0.8479%0.793SS**  trans-160.8146.8170.9-111.4-32.2000110.3
325S39.1Very low38.2Very low114 Ų114132.2 Ų132.280%0.79779%0.789SS**  trans61.8148174.671.40000118.1
326E42.4Very low38.3Very low144 Ų144132.1 Ų132.167%0.67379%0.793SS**  cis-163.8134.7-22.3177.7172.1165.400110.7
327K38.7Very low38Very low171 Ų171133 Ų13374%0.74380%0.8SS**  trans62.6132.7155.7-76.6172.4-169.3155.80123.3
328V37.6Very low38.3Very low118 Ų118133.5 Ų133.572%0.71580%0.804SS**  103.5126.1121.9156.30000122.3
329I36.7Very low38Very low163 Ų163134.8 Ų134.884%0.83681%0.806SS**  trans73.6142.1161-76.7162000119.6
330A33.8Very low37.7Very low96 Ų96135.4 Ų135.479%0.79380%0.804SS**  trans-136.4153.5177.700000110.7
331A40.4Very low37.4Very low104 Ų104134.6 Ų134.686%0.8680%0.801SS**  trans-150.9155.6170.100000111.6
332K34Very low36.9Very low203 Ų203134.5 Ų134.588%0.88380%0.801SS**  trans-96.7157.9175.3-57.2169-178.8172.30110.2
333C33.8Very low36.5Very low139 Ų139130.6 Ų130.694%0.93979%0.794SS**  trans-166.8157.8139.6-104.90000113.6
334S30.4Very low36.2Very low110 Ų110134.5 Ų134.577%0.76981%0.805SS**  trans-159.9135.6173.6172.80000109.1
335P48.4Very low36Very low112 Ų112132.5 Ų132.573%0.72780%0.803SS**  trans-141.9131.1147.732.2-14.2000113.6
336V36.6Very low35.9Very low137 Ų137132 Ų13283%0.8381%0.806SS**  94.1151.589.5170.90000113.9
337C32.5Very low35.6Very low125 Ų125134.9 Ų134.985%0.84581%0.812SS**  trans-111.9172.4-167.8-53.40000114
338A39.1Very low35.6Very low102 Ų102132.3 Ų132.384%0.84382%0.816SS**  trans-140.8167.6166.900000111.2
339Q33.3Very low35.6Very low201 Ų201129.1 Ų129.194%0.93980%0.795SS**  trans-106.8171.9-157.5-68.6170.8-78.600116.9
340L32.8Very low35.7Very low135 Ų135129.5 Ų129.571%0.70779%0.793SS**  trans-83.3169.4173.6-150.474.9000112
341P39.5Very low35.9Very low122 Ų122130.7 Ų130.779%0.79278%0.782SS**  -148.4-167.9100.640-22.2000115.5
342D28.8Very low35.7Very low135 Ų135132.4 Ų132.472%0.72278%0.782SS**  trans-112.2165.6-148.6-59.9-88.4000119
343A33.5Very low35.7Very low91 Ų91127.9 Ų127.975%0.75278%0.776SS**  trans60.4132.1144.100000123.7
344T33.4Very low35.8Very low146 Ų146124.5 Ų124.590%0.89676%0.764SS**  -176.8162123.1-73.70000110.4
345S30.8Very low36Very low114 Ų114126.6 Ų126.680%0.79777%0.767SS**  trans-104.5155.2-165.554.10000116.6
346A37.1Very low35.1Very low105 Ų105127.6 Ų127.687%0.86877%0.771SS**  trans-162.8158.4153.800000110.9
347Y37Very low35.1Very low203 Ų203126.8 Ų126.880%0.79677%0.768SS**  trans-149135.8-169.6-157.2-74.4000110.9
348S37.6Very low35.1Very low118 Ų118125.3 Ų125.383%0.82576%0.76SS**  trans-179.2155.6158.7-86.60000113.5
349D38.9Very low35Very low51 Ų51128.5 Ų128.527%0.27376%0.762SS.*  trans-120158.9-167.3-68.9-26.1000113.5V127 C128 V129V127-D349 HydrophobicContact CG1-CB 4.33Å; C128-D349 VanDerWaalsContact C-OD2 3.23Å; C128-D349 WeakPolarHBondContact CA-OD2 3.13Å; C128-D349 PolarHBondContact N-OD2 3.22Å; V129-D349 HydrophobicContact CB-CB 3.97Å; V129-D349 HydrophobicContact CG1-CB 4.44Å; V129-D349 PolarHBondContact N-OD1 2.91Å; V129-D349 PolarHBondContact N-OD2 2.9Å
350Q38.7Very low34.9Very low171 Ų171122.8 Ų122.880%0.79975%0.749SS**  trans-162.4147.7136.2-115.3174.132.200114.9V129V129-Q350 WeakPolarHBondContact CG2-O 3.45Å
351Q38.4Very low35Very low120 Ų120120.9 Ų120.956%0.56175%0.747SS**  trans-83.9171.8-160.9-49.6173.64.400115.5
352V34.6Very low34.8Very low141 Ų141124 Ų12486%0.85575%0.748SS**  -165.8127.9121.1141.10000112.4
353S35.1Very low35.3Very low108 Ų108125 Ų12576%0.75575%0.754SS**  trans9.9136.7160.6-160.30000122.6
354G35.7Very low35.6Very low68 Ų68129.3 Ų129.370%0.70176%0.758SS**  trans-175.724.3174.800000119.2
355N33.7Very low36Very low154 Ų154127.7 Ų127.782%0.82475%0.75SS**  trans39.195.2169.4-64.4-0.8000118.6
356T30.9Very low37Very low133 Ų133126.5 Ų126.582%0.81675%0.747SS**  trans-108.5120.2165.6-60.30000110.5
357P36.5Very low38.6Very low119 Ų119125.2 Ų125.277%0.77373%0.729SS**  trans-73.6132.8165.930.7-31.8000109.8
358S31.7Very low40.2Very low94 Ų94120.3 Ų120.366%0.65772%0.715SS**  trans-71.4156.3-178.349.30000112.9A360S358-A360 PolarHBondContact O-N 3.07Å
359L35.9Very low42.1Very low170 Ų170121.8 Ų121.889%0.8971%0.709SS**SBendtrans-74.668.8170.3-76.8165.3000110.4
360A32.1Very low44.1Very low81 Ų81122.9 Ų122.967%0.66972%0.717SS**  trans-147.428.1-172.700000114.8S358S358-A360 PolarHBondContact O-N 3.07Å
361S34.4Very low46Very low94 Ų94117.1 Ų117.166%0.65770%0.699SS**  trans-15783.6170.866.50000113.3
362F35.1Very low48.1Very low187 Ų187114.1 Ų114.182%0.8269%0.686SS**  trans-113.6-5.6166.1-83.6-73.4000114
363D39.6Very low50.4Low158 Ų158109.8 Ų109.885%0.84567%0.665SS**  trans-108.451.9179-60.8-68.9000112.5P365D363-P365 WeakPolarHBondContact O-CD 3.4Å
364Q40.1Very low52.8Low180 Ų180108.3 Ų108.384%0.84165%0.648SS**  trans-85.8110.5155.3-85.3-161.7-11.600108.4A366Q364-A366 PolarHBondContact O-N 3.2Å
365P43Very low55.4Low113 Ų113110.6 Ų110.673%0.73464%0.643SS**  trans-64.8121.917527-33.1000108.6D363 T367D363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-T367 PolarHBondContact O-N 3.49Å
366A51.2Low58.1Low88 Ų88109.2 Ų109.273%0.72763%0.632SS**  trans-56108.5174.600000108.8Q364Q364-A366 PolarHBondContact O-N 3.2Å
367T69.5Low60.9Low79 Ų79106.4 Ų106.449%0.48561%0.612SS.*  trans-55.6141.9-156.2-39.90000111.9P365 Q369 T370 A371P365-T367 PolarHBondContact O-N 3.49Å; T367-Q369 HydrophobicContact CG2-CB 4.31Å; T367-Q369 HydrophobicContact CG2-CG 4.41Å; T367-Q369 PolarHBondContact O-N 2.92Å; T367-T370 WeakPolarHBondContact O-CA 3.37Å; T367-T370 VanDerWaalsContact O-CB 3.29Å; T367-T370 WeakPolarHBondContact O-CB 3.34Å; T367-T370 PolarHBondContact O-N 2.95Å; T367-A371 PolarHBondContact O-N 3.34Å; T367-A371 VanDerWaalsContact O-N 3.14Å
368I70.9Confident63.6Low100 Ų100104.8 Ų104.851%0.51360%0.596SS.*Hα-helixtrans-53-33.6178.7-61174.6000111A371 M372I368-A371 PolarHBondContact O-N 3.07Å; I368-M372 HydrophobicContact CG2-CE 4.47Å; I368-M372 WeakPolarHBondContact O-CG 3.36Å; I368-M372 PolarHBondContact O-N 2.87Å
369Q78.9Confident66.4Low148 Ų148107.9 Ų107.969%0.69259%0.594SS**Hα-helixtrans-59.2-43.2171.5-63.1-175.71.100113.4T367 M372 A373T367-Q369 HydrophobicContact CG2-CB 4.31Å; T367-Q369 HydrophobicContact CG2-CG 4.41Å; T367-Q369 PolarHBondContact O-N 2.92Å; Q369-M372 HydrophobicContact CG-CE 4.5Å; Q369-M372 PolarHBondContact O-N 2.85Å; Q369-A373 WeakPolarHBondContact O-CB 3.07Å; Q369-A373 PolarHBondContact O-N 2.96Å
370T81Confident69Low74 Ų74106.4 Ų106.445%0.45458%0.582SS.*Hα-helixtrans-64.9-41.5176.1-48.30000111.3T367 A373 I374T367-T370 WeakPolarHBondContact O-CA 3.37Å; T367-T370 VanDerWaalsContact O-CB 3.29Å; T367-T370 WeakPolarHBondContact O-CB 3.34Å; T367-T370 PolarHBondContact O-N 2.95Å; T370-A373 PolarHBondContact O-N 3.01Å; T370-I374 HydrophobicContact CG2-CD1 4.33Å; T370-I374 WeakPolarHBondContact O-CG1 3.47Å; T370-I374 PolarHBondContact O-N 2.96Å
371A78Confident71.8Confident50 Ų50107 Ų10741%0.41357%0.571SS.*Hα-helixtrans-63.2-42.4173.600000111.8T367 I368 I374 L375T367-A371 PolarHBondContact O-N 3.34Å; T367-A371 VanDerWaalsContact O-N 3.14Å; I368-A371 PolarHBondContact O-N 3.07Å; A371-I374 PolarHBondContact O-N 3.43Å; A371-L375 WeakPolarHBondContact O-CG 3.48Å; A371-L375 PolarHBondContact O-N 2.83Å; A371-L375 VanDerWaalsContact O-N 3.07Å
372M82.1Confident74.2Confident58 Ų58107.3 Ų107.329%0.28656%0.564SS.*Hα-helixtrans-62.7-41.7173.7-74.6-164.3-6700112.7I368 Q369 I374 L375 Q376 K835I368-M372 HydrophobicContact CG2-CE 4.47Å; I368-M372 WeakPolarHBondContact O-CG 3.36Å; I368-M372 PolarHBondContact O-N 2.87Å; Q369-M372 HydrophobicContact CG-CE 4.5Å; Q369-M372 PolarHBondContact O-N 2.85Å; M372-I374 PolarHBondContact O-N 2.95Å; M372-L375 PolarHBondContact O-N 3.41Å; M372-Q376 WeakPolarHBondContact O-CG 3.47Å; M372-Q376 PolarHBondContact O-N 3.02Å; M372-K835 WeakPolarHBondContact SD-CE 3.38Å; M372-K835 PolarHBondContact SD-NZ 3.48Å
373A83.7Confident76.8Confident50 Ų50102.9 Ų102.941%0.41355%0.546SS..Hα-helixtrans-62.5-41.5177.900000112Q369 T370 Q376 D377Q369-A373 WeakPolarHBondContact O-CB 3.07Å; Q369-A373 PolarHBondContact O-N 2.96Å; T370-A373 PolarHBondContact O-N 3.01Å; A373-Q376 PolarHBondContact O-N 3.2Å; A373-D377 PolarHBondContact O-N 2.97Å
374I84.6Confident78.8Confident77 Ų7797.9 Ų97.940%0.39553%0.527SS..Hα-helixtrans-64.5-39.2174.8-66.8165000111.2T370 A371 M372 Q376 L378T370-I374 HydrophobicContact CG2-CD1 4.33Å; T370-I374 WeakPolarHBondContact O-CG1 3.47Å; T370-I374 PolarHBondContact O-N 2.96Å; A371-I374 PolarHBondContact O-N 3.43Å; M372-I374 PolarHBondContact O-N 2.95Å; I374-Q376 VanDerWaalsContact C-N 3.35Å; I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 PolarHBondContact O-N 3.38Å
375L90Very high81.1Confident115 Ų11591.4 Ų91.460%0.60251%0.508SS*.Hα-helixtrans-68.4-32.5175.2-70.5170.4000112.6A371 M372 R379A371-L375 WeakPolarHBondContact O-CG 3.48Å; A371-L375 PolarHBondContact O-N 2.83Å; A371-L375 VanDerWaalsContact O-N 3.07Å; M372-L375 PolarHBondContact O-N 3.41Å; L375-R379 WeakPolarHBondContact O-CB 3.41Å; L375-R379 PolarHBondContact O-N 2.91Å; L375-R379 VanDerWaalsContact O-N 3.09Å
376Q90.1Very high83Confident126 Ų12690.3 Ų90.359%0.58950%0.495SS*.Hα-helixtrans-69.2-47.8173.4-74.6173-16.900111.8M372 A373 I374 L378 R379 Q380M372-Q376 WeakPolarHBondContact O-CG 3.47Å; M372-Q376 PolarHBondContact O-N 3.02Å; A373-Q376 PolarHBondContact O-N 3.2Å; I374-Q376 VanDerWaalsContact C-N 3.35Å; Q376-L378 PolarHBondContact O-N 3.18Å; Q376-R379 PolarHBondContact O-N 2.77Å; Q376-Q380 WeakPolarHBondContact O-CG 3.44Å; Q376-Q380 PolarHBondContact O-N 3.1Å
377D89.8Confident84.4Confident73 Ų7391 Ų9139%0.3948%0.484SS..Hα-helixtrans-56.9-48.5174.3175.738.3000111.3A373 R379 Q380 Q381A373-D377 PolarHBondContact O-N 2.97Å; D377-R379 VanDerWaalsContact C-N 3.31Å; D377-R379 PolarHBondContact O-N 2.59Å; D377-Q380 PolarHBondContact O-N 2.99Å; D377-Q380 VanDerWaalsContact O-N 3.17Å; D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 2.86Å; D377-Q381 PolarHBondContact OD1-NE2 2.86Å; D377-Q381 PolarHBondContact OD2-NE2 3.29Å
378L93.6Very high84.9Confident86 Ų8693 Ų9345%0.4549%0.491SS..Hα-helixtrans-59.9-39.4176.4-178.160.9000112.5I374 Q376 Q381 I382I374-L378 WeakPolarHBondContact O-CB 3.36Å; I374-L378 PolarHBondContact O-N 3.38Å; Q376-L378 PolarHBondContact O-N 3.18Å; L378-Q381 PolarHBondContact O-N 3.46Å; L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.48Å; L378-I382 HydrophobicContact CG-CD1 4.05Å; L378-I382 VanDerWaalsContact O-CG1 3.3Å; L378-I382 WeakPolarHBondContact O-CG1 3.41Å; L378-I382 PolarHBondContact O-N 2.87Å
379R90.2Very high85.1Confident159 Ų15990.8 Ų90.860%0.649%0.488SS*.Hα-helixtrans-68.7-36.2177.4-168.6167.7178.9-94.82.2111.9L375 Q376 D377 Q383 E828L375-R379 WeakPolarHBondContact O-CB 3.41Å; L375-R379 PolarHBondContact O-N 2.91Å; L375-R379 VanDerWaalsContact O-N 3.09Å; Q376-R379 PolarHBondContact O-N 2.77Å; D377-R379 VanDerWaalsContact C-N 3.31Å; D377-R379 PolarHBondContact O-N 2.59Å; R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 2.96Å; R379-Q383 VanDerWaalsContact O-N 3.07Å; R379-E828 IonicContact CZ-OE1 2.91Å; R379-E828 IonicContact NE-OE1 3.61Å; R379-E828 IonicContact NH2-OE1 3.62Å; R379-E828 PolarHBondContact NH2-OE1 3.35Å
380Q91.3Very high84.7Confident138 Ų13890.1 Ų90.165%0.64549%0.485SS*.Hα-helixtrans-66.3-43.9171.8-71177.82.900111.9Q376 D377 I382 Q383 A384Q376-Q380 WeakPolarHBondContact O-CG 3.44Å; Q376-Q380 PolarHBondContact O-N 3.1Å; D377-Q380 PolarHBondContact O-N 2.99Å; D377-Q380 VanDerWaalsContact O-N 3.17Å; Q380-I382 PolarHBondContact O-N 3.45Å; Q380-Q383 PolarHBondContact O-N 3.32Å; Q380-A384 WeakPolarHBondContact O-CB 3.45Å; Q380-A384 PolarHBondContact O-N 2.79Å
381Q89.9Confident83.8Confident95 Ų9590 Ų9044%0.44449%0.491SS..Hα-helixtrans-63.1-39.1177.4-70.817531.300112.4D377 L378 G385D377-Q381 WeakPolarHBondContact O-CG 3.22Å; D377-Q381 PolarHBondContact O-N 2.86Å; D377-Q381 PolarHBondContact OD1-NE2 2.86Å; D377-Q381 PolarHBondContact OD2-NE2 3.29Å; L378-Q381 PolarHBondContact O-N 3.46Å; Q381-G385 PolarHBondContact O-N 3.22Å
382I85.6Confident82.7Confident99 Ų9997.7 Ų97.751%0.50851%0.509SS..Hα-helixtrans-65.4-43.7174.2-69.7165.2000110.8L378 Q380 G385 L386L378-I382 HydrophobicContact CD1-CD1 4.19Å; L378-I382 HydrophobicContact CD1-CG1 4.48Å; L378-I382 HydrophobicContact CG-CD1 4.05Å; L378-I382 VanDerWaalsContact O-CG1 3.3Å; L378-I382 WeakPolarHBondContact O-CG1 3.41Å; L378-I382 PolarHBondContact O-N 2.87Å; Q380-I382 PolarHBondContact O-N 3.45Å; I382-G385 PolarHBondContact O-N 3.43Å; I382-L386 HydrophobicContact CG2-CD1 4.18Å; I382-L386 WeakPolarHBondContact O-CG 3.43Å; I382-L386 PolarHBondContact O-N 3.02Å
383Q88.8Confident81.4Confident94 Ų94103.2 Ų103.244%0.43953%0.532SS..Hα-helixtrans-62.1-49.5177.5-178.161.823.400111.8R379 Q380 G385 L386 E387R379-Q383 WeakPolarHBondContact O-CB 3.29Å; R379-Q383 PolarHBondContact O-N 2.96Å; R379-Q383 VanDerWaalsContact O-N 3.07Å; Q380-Q383 PolarHBondContact O-N 3.32Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 2.96Å; Q383-L386 WeakPolarHBondContact O-CB 3.44Å; Q383-L386 PolarHBondContact O-N 3.5Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.45Å; Q383-E387 PolarHBondContact NE2-OE1 2.96Å; Q383-E387 PolarHBondContact O-N 2.93Å
384A83.6Confident79.6Confident54 Ų54104 Ų10445%0.44654%0.544SS..Hα-helixtrans-60.6-36.9176.300000112.3Q380 E387 L388Q380-A384 WeakPolarHBondContact O-CB 3.45Å; Q380-A384 PolarHBondContact O-N 2.79Å; A384-E387 PolarHBondContact O-N 3.17Å; A384-L388 VanDerWaalsContact O-CB 3.29Å; A384-L388 WeakPolarHBondContact O-CB 3.36Å; A384-L388 PolarHBondContact O-N 3.46Å
385G86.9Confident77.5Confident43 Ų43103 Ų10344%0.44355%0.553SS.*Hα-helixtrans-64.8-36.7173.200000113.6Q381 I382 Q383 A389Q381-G385 PolarHBondContact O-N 3.22Å; I382-G385 PolarHBondContact O-N 3.43Å; Q383-G385 VanDerWaalsContact C-N 3.28Å; Q383-G385 PolarHBondContact O-N 2.96Å; G385-A389 WeakPolarHBondContact O-CB 3.35Å; G385-A389 PolarHBondContact O-N 3.28Å; G385-A389 VanDerWaalsContact O-N 3.1Å
386L83.2Confident75.1Confident90 Ų90105.5 Ų105.547%0.47156%0.562SS.*Hα-helixtrans-71-42.2174.3-72.2169.7000111.8I382 Q383 A389 Q390I382-L386 HydrophobicContact CG2-CD1 4.18Å; I382-L386 WeakPolarHBondContact O-CG 3.43Å; I382-L386 PolarHBondContact O-N 3.02Å; Q383-L386 WeakPolarHBondContact O-CB 3.44Å; Q383-L386 PolarHBondContact O-N 3.5Å; Q383-L386 VanDerWaalsContact O-N 3.07Å; L386-A389 PolarHBondContact O-N 2.97Å; L386-Q390 WeakPolarHBondContact O-CG 3.42Å; L386-Q390 PolarHBondContact O-N 3.43Å
387E81.8Confident72.6Confident104 Ų104108.5 Ų108.549%0.48658%0.576SS.*Hα-helixtrans-63.6-42.7175.9-74170-166.500111.5Q383 A384 A389 Q390 A391Q383-E387 WeakPolarHBondContact CG-OE1 3.45Å; Q383-E387 PolarHBondContact NE2-OE1 2.96Å; Q383-E387 PolarHBondContact O-N 2.93Å; A384-E387 PolarHBondContact O-N 3.17Å; E387-A389 VanDerWaalsContact C-N 3.3Å; E387-A389 PolarHBondContact O-N 3.26Å; E387-Q390 PolarHBondContact O-N 3.39Å; E387-Q390 VanDerWaalsContact O-N 3.16Å; E387-A391 WeakPolarHBondContact O-CB 3.33Å; E387-A391 PolarHBondContact O-N 3.09Å
388L79.7Confident70.2Confident119 Ų119113 Ų11362%0.62360%0.599SS**Hα-helixtrans-67-31.2175.7-166.6140.4000112.4A384 R392A384-L388 VanDerWaalsContact O-CB 3.29Å; A384-L388 WeakPolarHBondContact O-CB 3.36Å; A384-L388 PolarHBondContact O-N 3.46Å; L388-R392 PolarHBondContact O-N 2.98Å
389A75.1Confident67.5Low55 Ų55110.9 Ų110.946%0.45560%0.599SS.*Hα-helixtrans-71.8-35.4170.900000112.9G385 L386 E387 K393G385-A389 WeakPolarHBondContact O-CB 3.35Å; G385-A389 PolarHBondContact O-N 3.28Å; G385-A389 VanDerWaalsContact O-N 3.1Å; L386-A389 PolarHBondContact O-N 2.97Å; E387-A389 VanDerWaalsContact C-N 3.3Å; E387-A389 PolarHBondContact O-N 3.26Å; A389-K393 PolarHBondContact O-N 3.4Å
390Q69Low65Low134 Ų134109.3 Ų109.363%0.62661%0.609SS**Hα-helixtrans-70.8-42.4173.9-72.9-177.843.200111.7L386 E387 R392 K393 G394L386-Q390 WeakPolarHBondContact O-CG 3.42Å; L386-Q390 PolarHBondContact O-N 3.43Å; E387-Q390 PolarHBondContact O-N 3.39Å; E387-Q390 VanDerWaalsContact O-N 3.16Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 2.87Å; Q390-K393 CarbonylContact O-C 3.15Å; Q390-K393 WeakPolarHBondContact O-CA 3.44Å; Q390-K393 WeakPolarHBondContact O-CB 3.31Å; Q390-K393 PolarHBondContact O-N 3.35Å; Q390-G394 PolarHBondContact O-N 2.82Å
391A62Low62.4Low71 Ų71107.7 Ų107.759%0.58761%0.613SS**Hα-helixtrans-57.6-39.6173.200000111.7E387 K393 G394 G395E387-A391 WeakPolarHBondContact O-CB 3.33Å; E387-A391 PolarHBondContact O-N 3.09Å; A391-K393 VanDerWaalsContact C-N 3.26Å; A391-K393 PolarHBondContact O-N 2.7Å; A391-G394 PolarHBondContact O-N 3.11Å; A391-G394 VanDerWaalsContact O-N 3.17Å; A391-G395 PolarHBondContact O-N 3.28Å; A391-G395 VanDerWaalsContact O-N 3.16Å
392R56.9Low60Low211 Ų211112.8 Ų112.880%0.79663%0.634SS**Hα-helixtrans-67.5-17.6171.5-95-173.7165.1-175.1-3.3115.1L388 Q390L388-R392 PolarHBondContact O-N 2.98Å; Q390-R392 VanDerWaalsContact C-N 3.26Å; Q390-R392 PolarHBondContact O-N 2.87Å
393K54.3Low57.6Low174 Ų174119.1 Ų119.176%0.75765%0.651SS**Hα-helixtrans-89.6-25.5167.7-88-166.5168.6-167.90113.5A389 Q390 A391 G395A389-K393 PolarHBondContact O-N 3.4Å; Q390-K393 CarbonylContact O-C 3.15Å; Q390-K393 WeakPolarHBondContact O-CA 3.44Å; Q390-K393 WeakPolarHBondContact O-CB 3.31Å; Q390-K393 PolarHBondContact O-N 3.35Å; A391-K393 VanDerWaalsContact C-N 3.26Å; A391-K393 PolarHBondContact O-N 2.7Å; K393-G395 PolarHBondContact O-N 3.12Å
394G45.9Very low55Low66 Ų66124.2 Ų124.268%0.6867%0.666SS**Hα-helixtrans-68.1-20.5168.700000113.2Q390 A391 Q396Q390-G394 PolarHBondContact O-N 2.82Å; A391-G394 PolarHBondContact O-N 3.11Å; A391-G394 VanDerWaalsContact O-N 3.17Å; G394-Q396 PolarHBondContact O-N 3.27Å
395G39.9Very low53Low56 Ų56128.8 Ų128.858%0.57768%0.682SS**  trans-69.954.3167.600000113.9A391 K393 E397A391-G395 PolarHBondContact O-N 3.28Å; A391-G395 VanDerWaalsContact O-N 3.16Å; K393-G395 PolarHBondContact O-N 3.12Å; G395-E397 PolarHBondContact O-N 2.93Å
396Q39.8Very low50.8Low168 Ų168133.5 Ų133.579%0.78569%0.693SS**  trans-58.5130.1163.9-175.4175.81300108.2G394 L398G394-Q396 PolarHBondContact O-N 3.27Å; Q396-L398 PolarHBondContact O-N 2.88Å
397E37.1Very low48.6Very low189 Ų189136.3 Ų136.388%0.88371%0.708SS**  trans-64.499.6177.7-75.4-167.9123.900110.3G395 G399G395-E397 PolarHBondContact O-N 2.93Å; E397-G399 PolarHBondContact O-N 3.29Å
398L39.9Very low46.6Very low167 Ų167138.2 Ų138.287%0.87473%0.726SS**  trans-68.755.8152.1-69.6171.8000109.2Q396Q396-L398 PolarHBondContact O-N 2.88Å
399G36.6Very low44.8Very low43 Ų43136.7 Ų136.744%0.44373%0.731SS.*  trans-54.4140.6164.100000108E397 S401E397-G399 PolarHBondContact O-N 3.29Å; G399-S401 PolarHBondContact O-N 3.2Å
400P37.3Very low43Very low126 Ų126137.2 Ų137.282%0.81874%0.742SS**  trans-6399-162.623.7-34.4000111.2K402P400-K402 VanDerWaalsContact C-N 3.34Å; P400-K402 PolarHBondContact O-N 3.07Å
401S36.7Very low41.5Very low104 Ų104143.1 Ų143.173%0.72776%0.759SS**  trans-63.297.5172.544.60000107.3G399 R403G399-S401 PolarHBondContact O-N 3.2Å; S401-R403 PolarHBondContact O-N 2.98Å
402K39.5Very low40.2Very low202 Ų202143 Ų14388%0.87876%0.763SS**  trans-55.2105.2-179.6-74.7-175.2176.6-178.50108.1P400 R404P400-K402 VanDerWaalsContact C-N 3.34Å; P400-K402 PolarHBondContact O-N 3.07Å; K402-R404 PolarHBondContact O-N 3.06Å
403R36.3Very low39.2Very low231 Ų231138.9 Ų138.987%0.87277%0.766SS**  trans-54.3103.1170.4-74.8-177.4171.9-170.6-3.9107.6S401 L405S401-R403 PolarHBondContact O-N 2.98Å; R403-L405 VanDerWaalsContact C-N 3.29Å; R403-L405 PolarHBondContact O-N 2.72Å
404R34.4Very low38.3Very low202 Ų202136.3 Ų136.376%0.76277%0.768SS**  trans-63.8101.1153.3-87.7-171.1168.9-140-1.8105.5K402 Q406K402-R404 PolarHBondContact O-N 3.06Å; R404-Q406 PolarHBondContact O-N 3.22Å
405L41.6Very low37.7Very low149 Ų149143.5 Ų143.578%0.7878%0.775SS**  trans-62.1100.4145.5-95.570.1000105.3R403R403-L405 VanDerWaalsContact C-N 3.29Å; R403-L405 PolarHBondContact O-N 2.72Å
406Q39.4Very low37.5Very low143 Ų143146.5 Ų146.567%0.66878%0.778SS**  trans-95.3118148.6-78.2-178.7-76.100105R404R404-Q406 PolarHBondContact O-N 3.22Å
407D37.3Very low37.4Very low149 Ų149143.9 Ų143.980%0.79778%0.775SS**  trans-72.6136.7-171-148.3-17.9000110.2A409D407-A409 PolarHBondContact O-N 2.93Å
408V39.4Very low37.3Very low143 Ų143142.7 Ų142.787%0.86778%0.775SS**  trans-102.380-172.2-178.10000108.7
409A41.9Very low37.1Very low87 Ų87138.3 Ų138.372%0.71976%0.763SS**  trans-135.266.8-171.500000114.2D407D407-A409 PolarHBondContact O-N 2.93Å
410G38.3Very low37.1Very low66 Ų66144.7 Ų144.768%0.6878%0.782SS**  trans79116.3139.900000121.2
411R38.2Very low36.8Very low259 Ų259143.5 Ų143.598%0.97778%0.776SS**  trans68.5146.1156.5-45.1177-164-98.52.1116.1
412G34.6Very low36.6Very low67 Ų67142.8 Ų142.869%0.69177%0.771SS**  cis168.6133.9-11.700000113.6
413C34.8Very low36.3Very low126 Ų126142.3 Ų142.385%0.85177%0.769SS**  trans69.9124.8159.7-59.20000121.5
414C36.1Very low36Very low119 Ų119136.2 Ų136.280%0.80476%0.762SS**  trans82.4118.5144.6-61.50000122.4
415R32.5Very low36.1Very low217 Ų217136.1 Ų136.182%0.81977%0.767SS**  25.8147.9119.9-75.6179169.5-109.810.3119.7
416D35.8Very low35.8Very low119 Ų119134.2 Ų134.264%0.63677%0.766SS**  cis-152.1176.56.8-112.3-33.8000110.2
417P38.1Very low36Very low113 Ų113132 Ų13273%0.73477%0.765SS**  trans-98.1178.3-161.938.8-39.8000117.2
418N34.7Very low35.9Very low164 Ų164136.3 Ų136.388%0.87777%0.77SS**  trans102.1165158.9-155.914000117.3
419A36.8Very low35.8Very low76 Ų76133.7 Ų133.763%0.62876%0.763SS**  trans91.6109172.900000120
420Q35.8Very low35.7Very low177 Ų177137.4 Ų137.483%0.82777%0.768SS**  68.489.5128.2-65.2-177.3-2.200122.1
421S30.2Very low35.9Very low100 Ų100139.7 Ų139.770%0.69977%0.768SS**  60.2143.4106.8730000124
422S33.5Very low35.8Very low89 Ų89133.1 Ų133.162%0.62275%0.749SS**  trans97.2108.9140.2-62.30000121.3
423F32Very low35.8Very low193 Ų193141 Ų14185%0.84676%0.758SS**  trans27.4132.7132.6-47.1-77.8000119.5
424S31.3Very low35.8Very low102 Ų102141.2 Ų141.271%0.71374%0.744SS**  -177.8148.783.8-79.30000116.4
425K35.3Very low35.8Very low200 Ų200143.8 Ų143.887%0.8774%0.744SS**  trans62.5122.6140.2-68.3172.8-179.4175.30122.1
426S36.1Very low36Very low109 Ų109138.6 Ų138.676%0.76274%0.741SS**  trans-74.7-175148.556.60000111.3
427P44.6Very low35.8Very low98 Ų98137.7 Ų137.764%0.63674%0.744SS**  -165.3-179.890.346.1-25.8000120.1
428W34.7Very low35.5Very low238 Ų238139.6 Ų139.690%0.90275%0.747SS**  trans64.2122.7149-60.7128.9000124.9
429A36.3Very low35.4Very low89 Ų89137.8 Ų137.874%0.73673%0.733SS**  161.2113.1118.500000110.9
430M39.4Very low35.2Very low165 Ų165144.6 Ų144.681%0.81374%0.743SS**  71.6136.588.4-67.7-73.2-8400113.9
431T43.3Very low35.2Very low113 Ų113140 Ų14069%0.69374%0.735SS**  cis-152.4160.219.9-37.10000113.8
432E35.3Very low35.2Very low122 Ų122145.2 Ų145.257%0.5774%0.74SS**  trans-10.1140.7168.4-58.3-169.6135.900123.1K434E432-K434 WeakPolarHBondContact OE1-CE 3.1Å; E432-K434 IonicContact OE1-NZ 2.63Å; E432-K434 PolarHBondContact OE1-NZ 3.41Å; E432-K434 IonicContact OE2-NZ 3.75Å
433R36.2Very low34.9Very low232 Ų232145.6 Ų145.688%0.87574%0.742SS**  171.9161.896.9-89.5-178.8-178.31780.5110.9
434K34Very low34.8Very low130 Ų130141.6 Ų141.657%0.56573%0.733SS**  cis179.3141-45.5-122.4173.4175.21660106.5E432E432-K434 WeakPolarHBondContact OE1-CE 3.1Å; E432-K434 IonicContact OE1-NZ 2.63Å; E432-K434 PolarHBondContact OE1-NZ 3.41Å; E432-K434 IonicContact OE2-NZ 3.75Å
435H36.4Very low34.9Very low174 Ų174144.9 Ų144.981%0.80674%0.737SS**  trans68.9146.4-179.6-38.8-71.3000114.9
436S35.6Very low34.5Very low108 Ų108141.7 Ų141.776%0.75573%0.734SS**  cis-127.9138.810.7-68.40000114.4
437S32.7Very low34Very low99 Ų99148.6 Ų148.669%0.69274%0.744SS**  trans1.6129144.849.50000118.8
438L31.8Very low33.2Very low153 Ų153150.4 Ų150.480%0.80174%0.744SS**  73.7137.786.6-119.574.3000112.2
439E31.9Very low32.8Very low126 Ų126144.7 Ų144.759%0.58974%0.737SS**  cis-159.4148.219.1-161.5174.4152.800112.5
440R32.5Very low32.6Very low219 Ų219151.5 Ų151.583%0.82674%0.744SS**  trans32.5130.1142.7-168.7177-79164.5-12.8119.3
441A35.5Very low32Very low81 Ų81148.6 Ų148.667%0.66974%0.74SS**  cis-152.2147.48.300000108.7
442R30.7Very low31.2Very low210 Ų210148.7 Ų148.779%0.79275%0.745SS**  48.112876-75.6-169.7-176.7-157.3-1112.8E549R442-E549 IonicContact NH2-OE2 3.81Å
443S27.6Very low30.9Very low97 Ų97148.2 Ų148.268%0.67876%0.756SS**  cis-177.1166.17.949.60000113.5
444V29Very low30.5Very low108 Ų108143.6 Ų143.666%0.65575%0.753SS**  trans43.3109.2161.3-100.40000117.9
445H33.4Very low30.4Very low172 Ų172142.2 Ų142.280%0.79677%0.767SS**  37113.684.4-29-56.4000115
446T27.2Very low30Very low132 Ų132145.7 Ų145.781%0.8177%0.772SS**  trans-145.3134.3145.2-67.40000108.4
447W26.7Very low29.9Very low254 Ų254149.4 Ų149.496%0.96278%0.778SS**  trans-94.294.8-176.9-162.1-5.3000107.8
448E27Very low29.6Very low137 Ų137150 Ų15064%0.6478%0.782SS**  trans-78.5129.8177.6-82.6-128.5126.100111.8W450E448-W450 PolarHBondContact O-N 2.82Å; E448-W450 PolarHBondContact OE2-NE1 3.28Å
449P27Very low29.6Very low117 Ų117148.9 Ų148.976%0.7679%0.786SS**  trans-86.994.6169.733.4-30.5000110.1S451P449-S451 PolarHBondContact O-N 2.83Å; P449-S451 VanDerWaalsContact O-N 3.15Å
450W31.9Very low29.9Very low232 Ų232148.7 Ų148.788%0.87980%0.795SS**  trans-71.4109178.3-77.6-6.4000113E448E448-W450 PolarHBondContact O-N 2.82Å; E448-W450 PolarHBondContact OE2-NE1 3.28Å
451S26.3Very low29.7Very low104 Ų104147.5 Ų147.573%0.72780%0.799SS**  trans-79.1151164.5-67.10000111.7P449P449-S451 PolarHBondContact O-N 2.83Å; P449-S451 VanDerWaalsContact O-N 3.15Å
452S26.4Very low29.8Very low115 Ų115154.8 Ų154.880%0.80481%0.809SS**  trans53.1103.9150.657.50000119.7
453S29.2Very low29.8Very low112 Ų112148.7 Ų148.778%0.78380%0.804SS**  trans-152.4137.613555.40000113.5
454T27.9Very low30.4Very low135 Ų135156.4 Ų156.483%0.82882%0.818SS**  trans34.7104.4149.354.80000121.3
455A31.7Very low30.8Very low102 Ų102154.9 Ų154.984%0.84382%0.824SS**  trans-15392.3140.500000109.7
456R27.8Very low30.8Very low246 Ų246151.6 Ų151.693%0.92883%0.827SS**  trans-115.790.1179.7-175.1-174.3-177.5-172.51.4109.8
457E33.6Very low31.3Very low187 Ų187155.1 Ų155.187%0.87483%0.834SS**  trans-95.9114171.4-64.3177.614000107.9
458S27.5Very low31.8Very low111 Ų111146.1 Ų146.178%0.77682%0.821SS**  95.282.763.3-73.50000111.9
459C30.6Very low32.2Very low130 Ų130148.6 Ų148.688%0.87883%0.833SS**  trans-139.4152.6160.2-100.40000109.1
460P39.4Very low32.6Very low121 Ų121149.7 Ų149.779%0.78683%0.832SS**  trans-98.8138-140.534.6-35.7000116.2
461Q27.9Very low32.6Very low194 Ų194149.2 Ų149.291%0.90783%0.83SS**  trans-75.5127.6156.8-163.688.1-16.200108.3
462R37.3Very low32.9Very low234 Ų234147.5 Ų147.588%0.88382%0.818SS**  trans-111.9127.3169.2-171.2-178.4-68.8-159.5-0.4108.7
463A31.3Very low33Very low83 Ų83150.8 Ų150.869%0.68682%0.818SS**  trans-92.7160.2-175.700000112.9
464W39.3Very low33.2Very low258 Ų258153.9 Ų153.998%0.97782%0.82SS**  trans-133149.6149-92.4100.1000108.8
465G37.1Very low33.6Very low76 Ų76158.7 Ų158.778%0.78482%0.823SS**  trans-90-176.9-165.400000115.5
466A34.6Very low33.8Very low104 Ų104158.4 Ų158.486%0.8681%0.813SS**  trans-132.3145.9-173.400000113.2
467Q36.7Very low33.8Very low205 Ų205155 Ų15596%0.95881%0.807SS**  trans-165.7139.4157-113.1174.2-16.700107.9
468G36.9Very low33.8Very low66 Ų66151.2 Ų151.268%0.6880%0.802SS**  cis174.6168.7-10.600000112.8
469Q36.6Very low34.4Very low189 Ų189150.7 Ų150.788%0.88380%0.795SS**  trans67.1115.7165.2-63.5-176.1-15.100119.1
470D34.8Very low34.6Very low139 Ų139152.6 Ų152.674%0.74379%0.791SS**  36.6140.6102.6-70.822.2000118.5
471R32.8Very low34.2Very low222 Ų222154.3 Ų154.384%0.83879%0.789SS**  cis-160162.432.7-134.6167.2-160.3-170.81113.1
472S31Very low34.5Very low69 Ų69156.4 Ų156.448%0.48379%0.788SS.*  trans-15.3143.6159.555.10000119.5
473F28.5Very low34.2Very low183 Ų183151.7 Ų151.780%0.80378%0.78SS**  -178.9160.396.4-90.3-59.9000114.5
474Q33.6Very low34.4Very low178 Ų178151.5 Ų151.583%0.83279%0.786SS**  trans51.3117.8154.1-70.7169.8-16.200121.4
475R37.1Very low33.9Very low235 Ų235145.8 Ų145.889%0.88777%0.77SS**  trans-80.3148147.4-160.6-164.5-75.7164.4-5.8107.6
476P36Very low33.7Very low96 Ų96152 Ų15262%0.62378%0.776SS**  -141.2173.3102.640-27.6000114.8
477E27.9Very low33.6Very low175 Ų175152 Ų15282%0.81877%0.769SS**  trans57.8116.8147.2-73.2159137.600123.6
478S33.9Very low33.5Very low108 Ų108150.4 Ų150.476%0.75576%0.762SS**  trans-71.6-179.9144.9570000111.5
479P39.8Very low33.4Very low99 Ų99155 Ų15564%0.64376%0.759SS**  cis-137.2-177.58.143.8-26.6000115.5
480H34.5Very low33.2Very low170 Ų170151.8 Ų151.879%0.78775%0.754SS**  -173.1159.7116.4-104-63.6000112.7
481E30.6Very low32.8Very low158 Ų158153.6 Ų153.674%0.73875%0.751SS**  trans-92.2152.6-173.2-50.7125107.600114.3
482R33.7Very low32.5Very low237 Ų237147.8 Ų147.889%0.89474%0.744SS**  trans-158.8100.8136.7-105.7160.2-173.8-170.71.5108
483L32.5Very low32.3Very low136 Ų136148.9 Ų148.971%0.71276%0.757SS**  73.2106.585.2-80.4159.2000112.8
484G35Very low32.2Very low79 Ų79148 Ų14881%0.81476%0.76SS**  trans-177.647.4-177.900000112.1
485H29.1Very low32Very low137 Ų137142.9 Ų142.963%0.63475%0.748SS**  trans-77.9135.6-171-57.7-93.1000113.4
486F32.5Very low31.7Very low206 Ų206135.8 Ų135.890%0.90475%0.748SS**  trans-140.468146.4-94.1-69.1000111.5
487S33.2Very low31.5Very low104 Ų104139.3 Ų139.373%0.72776%0.756SS**  trans-115.584163.758.60000108.7
488Q33.3Very low31.5Very low172 Ų172135.5 Ų135.580%0.80476%0.755SS**  trans-117126.8-179.9-85.3-76-1.100109.7
489R34.4Very low31.2Very low164 Ų164135.9 Ų135.962%0.61976%0.756SS**  trans-112.6138.1179.5176178.5177-162.6-3.6108.3W491R489-W491 HydrophobicContact CG-CG 4.35Å; R489-W491 VanDerWaalsContact CZ-NE1 3.35Å; R489-W491 VanDerWaalsContact NH2-CE2 3.3Å
490P33.3Very low30.9Very low120 Ų120135.9 Ų135.978%0.77976%0.758SS**  -118.8137123.135.1-32.1000109.1
491W25.4Very low31Very low177 Ų177133.1 Ų133.167%0.6776%0.756SS**  cis63.5138.746.9-81.6117.1000114R489R489-W491 HydrophobicContact CG-CG 4.35Å; R489-W491 VanDerWaalsContact CZ-NE1 3.35Å; R489-W491 VanDerWaalsContact NH2-CE2 3.3Å
492S27.4Very low31Very low100 Ų100134.9 Ų134.970%0.69976%0.764SS**  trans63.192.2157.7-550000117.8
493A25.8Very low30.8Very low92 Ų92134 Ų13476%0.7676%0.761SS**  13.3129.6121.100000118.1
494L28.4Very low30.5Very low166 Ų166131 Ų13187%0.86976%0.756SS**  -166.7111.4117.9-99.9161.7000110.3
495A28.7Very low30.1Very low70 Ų70139.7 Ų139.758%0.57976%0.764SS**  20.999.7125.800000118.5Q497A495-Q497 HydrophobicContact CB-CG 4.26Å; A495-Q497 PolarHBondContact O-N 3.31Å
496G31.1Very low30.1Very low85 Ų85136.2 Ų136.288%0.87677%0.765SS**  trans-7167.7146.100000110.8A498G496-A498 PolarHBondContact O-N 3.12Å
497Q31.8Very low30Very low170 Ų170131.4 Ų131.479%0.79476%0.764SS**  trans-70105.4169-91.4-170.523.200109.3A495 C499A495-Q497 HydrophobicContact CB-CG 4.26Å; A495-Q497 PolarHBondContact O-N 3.31Å; Q497-C499 PolarHBondContact O-N 2.67Å
498A27.3Very low29.9Very low96 Ų96133.7 Ų133.779%0.79376%0.763SS**  trans-90.288.6159.800000108.9G496G496-A498 PolarHBondContact O-N 3.12Å
499C28.4Very low29.9Very low116 Ų116134.6 Ų134.678%0.78476%0.759SS**  trans45.6112160.2-61.30000118.9Q497Q497-C499 PolarHBondContact O-N 2.67Å
500S32.7Very low29.9Very low98 Ų98134.7 Ų134.769%0.68577%0.766SS**  trans-56.8162141.659.20000110.6
501P35.9Very low30.1Very low113 Ų113132.5 Ų132.573%0.73477%0.765SS**  -130.1116106.534.1-28000112.6R503P501-R503 PolarHBondContact O-N 3.42Å; P501-R503 VanDerWaalsContact O-N 3.1Å
502Q31Very low30.7Very low194 Ų194130.3 Ų130.391%0.90777%0.774SS**  trans-75.993.3158.3-179168.3-37.600108.5
503R29Very low31Very low219 Ų219130.6 Ų130.683%0.82678%0.776SS**  trans-149.588.6168-155.5175.9-67-160.81.9106.3P501P501-R503 PolarHBondContact O-N 3.42Å; P501-R503 VanDerWaalsContact O-N 3.1Å
504A26.1Very low31.5Very low74 Ų74131.6 Ų131.661%0.61278%0.777SS**  73.314279.200000112.1
505W28.3Very low32Very low261 Ų261132.7 Ų132.799%0.98978%0.778SS**  trans67.1133.6-168.4-46.785.4000113.5
506G29.2Very low32.4Very low64 Ų64140 Ų14066%0.6679%0.791SS**  cis163.7159.8-7.900000111.5
507A29.7Very low32.8Very low105 Ų105142.1 Ų142.187%0.86879%0.789SS**  trans60.4153.6174.600000115.9
508Q30.1Very low32.8Very low152 Ų152136.6 Ų136.671%0.7178%0.778SS**  cis175.1146.7-16.1176-161.268.400104.1
509R34.1Very low33.2Very low191 Ų191138 Ų13872%0.72178%0.781SS**  trans103101.6173.5-59.3-178.3176.8-83.5-2.2112.8
510Q33.9Very low33.8Very low166 Ų166138.3 Ų138.378%0.77678%0.782SS**  72.7130.269.3-69.5177.7-21.700111.9
511G37.6Very low34.1Very low74 Ų74139.5 Ų139.576%0.76379%0.787SS**  trans-83.3-128.717600000112.5
512P37.6Very low34Very low131 Ų131141.4 Ų141.485%0.85179%0.787SS**  cis-133.4-16731.542.7-26.2000115
513S33.6Very low34.1Very low105 Ų105140.1 Ų140.173%0.73478%0.778SS**  trans-72.5150.9176.154.80000115.8
514S37Very low34.6Very low114 Ų114141.4 Ų141.480%0.79778%0.783SS**  trans-153.4143.4154.1-77.70000110
515Q38.4Very low34.9Very low189 Ų189143 Ų14388%0.88379%0.79SS**  cis-158.5163.1-27.6-129.2177.421.700108.9
516R38.5Very low35.2Very low223 Ų223136 Ų13684%0.84278%0.777SS**  trans-104.3155.5-179.5-147.7-163.8-175179.53.8110.2
517P38.9Very low35.4Very low129 Ų129143.1 Ų143.184%0.83879%0.791SS**  -132.9175.488.811.212.5000111.6
518G32.4Very low35.8Very low54 Ų54143.1 Ų143.156%0.55778%0.782SS**  cis126.6111.32000000107.1
519S34.5Very low35.8Very low125 Ų125144.6 Ų144.687%0.87479%0.789SS**  -160.7169.882.8-78.70000113.5
520P41.1Very low35.5Very low124 Ų124142.7 Ų142.781%0.80579%0.788SS**  trans-118-169.3-155.843.3-28.6000114.6
521P40.4Very low35.6Very low122 Ų122140.6 Ų140.679%0.79279%0.789SS**  trans-114.2164.4-148.841.4-36.6000117.6
522E32.7Very low35.3Very low153 Ų153147.1 Ų147.172%0.71579%0.791SS**  trans-136.5115.5161-76.5-145.5119.900115.5
523K33.2Very low35Very low168 Ų168146.5 Ų146.573%0.7379%0.79SS**  63.5133.9128.2-61.4170.9-178.8163.10121.7
524R39.2Very low34.7Very low246 Ų246146.2 Ų146.293%0.92879%0.794SS**  trans76.9125.9166.9-51.2178.9-175.6-175.51.4116
525S32.7Very low34.5Very low108 Ų108148.1 Ų148.176%0.75580%0.8SS**  cis-162.3138.9-17.239.20000109.2
526P35.3Very low34.1Very low112 Ų112142.9 Ų142.973%0.72779%0.789SS**  trans-86.2153.3-178.835.4-34.9000112.4
527F32.9Very low33.7Very low214 Ų214137.9 Ų137.994%0.93978%0.784SS**  trans-147.9125.6144.1-97.6-69.6000110.2
528P37.1Very low33.4Very low106 Ų106138.9 Ų138.969%0.68878%0.777SS**  trans-100.1175.2-173.539.7-36.8000114
529Q30Very low33.3Very low183 Ų183142 Ų14286%0.85579%0.788SS**  trans-2.1127.8152.2-58.6173.7-8.800118.3
530Q29.5Very low33.1Very low150 Ų150141 Ų14170%0.70178%0.78SS**  trans-153.8131.3130.9-124.1-178.20.800112.2W532Q530-W532 VanDerWaalsContact NE2-NE1 3.19Å
531P34.4Very low32.8Very low123 Ų123140.6 Ų140.680%0.79978%0.777SS**  trans-102.3108.8172.534.3-25.8000110.4
532W31.7Very low32.4Very low210 Ų210144.4 Ų144.480%0.79578%0.775SS**  trans-118140.6-177-86.537.7000112.6Q530Q530-W532 VanDerWaalsContact NE2-NE1 3.19Å
533S30.5Very low32.4Very low118 Ų118146.9 Ų146.983%0.82578%0.778SS**  trans-88.7161.6-171.2-56.20000113.7
534A28.5Very low32.1Very low99 Ų99142.8 Ų142.882%0.81878%0.776SS**  trans39.7113.7147.900000120.1
535V32.7Very low31.8Very low154 Ų154141.7 Ų141.793%0.93377%0.772SS**  -153.5150.9128.2131.50000108.8
536A29.5Very low31.7Very low80 Ų80142.6 Ų142.666%0.66177%0.773SS**  trans-93.6174.7-170.400000114.5
537T31.1Very low31.5Very low118 Ų118141.5 Ų141.572%0.72477%0.773SS**  trans86.399.1157.8-26.80000118.3
538Q31.3Very low31.4Very low149 Ų149137.8 Ų137.870%0.69677%0.772SS**  170.6120.2113.2-92.2-60.5-1600112.4
539P31.9Very low31.2Very low120 Ų120139.7 Ų139.778%0.77977%0.772SS**  trans-95.5100.7177.234.5-31000113.1
540C29.8Very low31.3Very low105 Ų105136.3 Ų136.371%0.70976%0.764SS**  trans-138.1153-176.2-850000113.6
541P34.3Very low31.6Very low115 Ų115140 Ų14075%0.74777%0.772SS**  cis-133.8151.3-4335.8-20.5000113.7R543P541-R543 PolarHBondContact O-N 3.48Å
542R31.1Very low31.5Very low201 Ų201141.9 Ų141.976%0.75877%0.77SS**  trans-61.288.1176177.9-178.5170.6-137.63.1112.8A544R542-A544 PolarHBondContact O-N 2.88Å
543R32.5Very low31.6Very low206 Ų206139 Ų13978%0.77777%0.77SS**  trans-77.1103174.8-173.1179.9-67.9-127.93.4111.3P541P541-R543 PolarHBondContact O-N 3.48Å
544A28.4Very low32Very low81 Ų81138.9 Ų138.967%0.66977%0.766SS**  trans-78.8140.7167.600000110.9R542R542-A544 PolarHBondContact O-N 2.88Å
545W31.5Very low32.4Very low224 Ų224137 Ų13785%0.84876%0.757SS**  trans-117.7121.4161.1-78.292.3000108
546T31.9Very low32.7Very low126 Ų126135.9 Ų135.977%0.77375%0.752SS**  trans-121.5121.8176.146.10000110.2
547A30.1Very low33Very low89 Ų89143.5 Ų143.574%0.73676%0.764SS**  trans51.3101.9159.300000118.4
548C30.9Very low33.5Very low137 Ų137146 Ų14693%0.92677%0.772SS**  -104148.9126.8-72.20000107.8
549E33Very low33.9Very low145 Ų145150.6 Ų150.668%0.67878%0.783SS**  trans-100.3152.9-170.1-64.5175.1112.200112.4R442R442-E549 IonicContact NH2-OE2 3.81Å
550T32.7Very low34.2Very low112 Ų112151.3 Ų151.369%0.68778%0.78SS**  trans46113.615451.70000121.1
551W36.1Very low34.6Very low228 Ų228152.4 Ų152.486%0.86479%0.786SS**  -153.5130.4102.7-68.5105.3000105.4
552E32Very low35.2Very low163 Ų163154.6 Ų154.676%0.76279%0.791SS**  49.2121.275.6-57.5-169.6153.900111.7
553D34.4Very low35.5Very low150 Ų150153.8 Ų153.880%0.80280%0.796SS**  cis-133.7-140.231.7-167.521.1000114.3
554P39.1Very low35.9Very low114 Ų114155 Ų15574%0.7480%0.8SS**  -110.4136.5-122.534-18.2000116.6
555G37Very low36.8Very low60 Ų60156.6 Ų156.662%0.61980%0.804SS**  trans-134.515317000000112.8R557G555-R557 PolarHBondContact O-N 3.13Å; G555-R557 VanDerWaalsContact O-N 3.09Å
556P39Very low37.1Very low130 Ų130151.2 Ų151.284%0.84480%0.8SS**  trans-70.7106.9-166.127.4-35.1000113.2L558P556-L558 PolarHBondContact O-N 3.25Å
557R34.9Very low38.1Very low241 Ų241150.7 Ų150.791%0.90980%0.799SS**  trans-63.6127.8174.4-64.8-170.7-178.4-1512111.2G555 R559G555-R557 PolarHBondContact O-N 3.13Å; G555-R557 VanDerWaalsContact O-N 3.09Å; R557-R559 PolarHBondContact O-N 2.91Å
558L42Very low38.9Very low170 Ų170152 Ų15289%0.8980%0.8SS**  trans-60.6128.4170.1-76.779.2000109.8P556 N560P556-L558 PolarHBondContact O-N 3.25Å; L558-N560 PolarHBondContact O-N 3.31Å
559R39.8Very low39Very low245 Ų245150.5 Ų150.593%0.92580%0.797SS**  trans-73110.2173.1-80.6-174.2170.3-178.4-2.7110.3R557R557-R559 PolarHBondContact O-N 2.91Å
560N38.2Very low39.5Very low135 Ų135152.2 Ų152.272%0.72281%0.806SS**  trans-71.4123.9170.6-159.3-2.1000109L558 L562L558-N560 PolarHBondContact O-N 3.31Å; N560-L562 PolarHBondContact O-N 3.35Å
561P38.1Very low39.9Very low129 Ų129157.7 Ų157.784%0.83881%0.813SS**THydrogen-bonded Turntrans-78.727.7-168.232.6-38.1000114.8
562L47.3Very low40.5Very low161 Ų161152.9 Ų152.984%0.84381%0.812SS**THydrogen-bonded Turntrans-122.623.4-169.7-153.569000114.4N560N560-L562 PolarHBondContact O-N 3.35Å
563E36.8Very low40.7Very low183 Ų183156.6 Ų156.686%0.85582%0.819SS**  trans-136.294.4170.9-164.1166-136.700110.1
564R40.8Very low40.7Very low232 Ų232155 Ų15588%0.87582%0.819SS**PPolyproline II helixtrans-103.1118.7174.1178.6177.9-72174.7-1.9108.5S566R564-S566 PolarHBondContact O-N 3.04Å
565P46.2Very low40.6Very low114 Ų114155.5 Ų155.574%0.7483%0.826SS**PPolyproline II helixtrans-56.9132.6174.7-25.934.9000111.7
566S38.6Very low40.5Very low111 Ų111158.7 Ų158.778%0.77684%0.838SS**PPolyproline II helixtrans-62.8130.6173.1-62.90000110.2R564R564-S566 PolarHBondContact O-N 3.04Å
567P52.1Low40.5Very low116 Ų116155.8 Ų155.875%0.75383%0.833SS**PPolyproline II helixtrans-65.8143.2172.328.5-33.9000110.2
568P47Very low40.8Very low115 Ų115150.2 Ų150.275%0.74783%0.825SS**PPolyproline II helixtrans-64145.2-179.626.3-34.3000111.7Q570P568-Q570 PolarHBondContact O-N 3.28Å; P568-Q570 VanDerWaalsContact O-N 3.13Å
569A34.6Very low40.6Very low106 Ų106149.2 Ų149.288%0.87682%0.816SS**  trans-65.5110.2-168.600000113.4
570Q43.5Very low40.4Very low182 Ų182147.4 Ų147.485%0.8581%0.809SS**PPolyproline II helixtrans-88.8137.7167.2-73.9-73.5-11.500110.1P568P568-Q570 PolarHBondContact O-N 3.28Å; P568-Q570 VanDerWaalsContact O-N 3.13Å
571R41.4Very low40.4Very low226 Ų226145.7 Ų145.785%0.85381%0.814SS**PPolyproline II helixtrans-75.7140.9-166.3-57.2-179.1-174.1-1721.9112.7
572P47.3Very low40.2Very low127 Ų127143 Ų14383%0.82581%0.809SS**PPolyproline II helixtrans-76.7133.4167.331.5-32.6000110.9
573W36.3Very low40Very low241 Ų241141.1 Ų141.191%0.91381%0.806SS**PPolyproline II helixtrans-88.8123.6174.4-85.6-37.5000113
574S35.2Very low40.2Very low116 Ų116140.9 Ų140.981%0.81181%0.805SS**  trans47109.2139.4-52.10000119.8
575S35.9Very low40.2Very low125 Ų125133.6 Ų133.687%0.87480%0.803SS**  trans-107.7144.7141.857.10000109.1
576S36.4Very low40Very low127 Ų127138 Ų13889%0.88881%0.81SS**  trans-90.8139.2-169.455.10000113.5
577G38Very low40.1Very low70 Ų70136 Ų13672%0.72281%0.808SS**  trans176.894166.200000119.1
578V41.2Very low39.4Very low124 Ų124142.7 Ų142.775%0.75282%0.818SS**  trans71.5116.1140.2-171.70000120.2
579Q37.9Very low38.9Very low148 Ų148140.2 Ų140.269%0.69281%0.814SS**  trans69.6149154.3-76.1-179.477.400118.8
580R34.9Very low39.2Very low208 Ų208143.8 Ų143.879%0.78582%0.816SS**  cis-157.4143.4-5.3159.5-174.6-63-137.14.1110.8
581A38.7Very low39Very low99 Ų99138.3 Ų138.382%0.81881%0.808SS**  trans44118.7158.800000121.5
582G34.3Very low38.6Very low71 Ų71133.2 Ų133.273%0.73281%0.807SS**  trans-132156.5148.700000109.5
583P44.1Very low38.5Very low123 Ų123132.2 Ų132.280%0.79980%0.801SS**  trans-94.5152.8-155.2-7.427.4000116.9
584Q39.4Very low38.5Very low177 Ų177126.5 Ų126.583%0.82779%0.792SS**  trans46.6100.9147-57.7-169.835.200120.1
585G40.4Very low38.4Very low80 Ų80126.1 Ų126.183%0.82579%0.79SS**  trans-117.9134.3146.500000109.7
586K42.3Very low38.3Very low205 Ų205125 Ų12589%0.89179%0.788SS**  trans-96135.1-174.7-72.4176.6178.3172.10112.5
587G40.7Very low38.2Very low71 Ų71122.9 Ų122.973%0.73278%0.778SS**  trans154108.317400000108.7
588R38.8Very low38.2Very low255 Ų255129 Ų12996%0.96279%0.785SS**  cis63.710042.6-151-154.7-63-10214.8110.7
589G36.6Very low38.3Very low64 Ų64131.9 Ų131.966%0.6679%0.79SS**  cis165.8-164.9-5.700000112.4
590I40.1Very low38.3Very low181 Ų181128.9 Ų128.993%0.92879%0.79SS**  trans78.6134.7162.3-49169.3000117.5
591G38.3Very low38.7Very low66 Ų66126.3 Ų126.368%0.6879%0.791SS**  trans78.7123.1167.600000116.1
592S34.5Very low39Very low120 Ų120127 Ų12784%0.83979%0.787SS**  cis66.4144.19.9-105.20000116.9
593P44.6Very low39.3Very low106 Ų106128.8 Ų128.869%0.68877%0.772SS**  cis-146.5-161.6-3.642.7-21.4000116.1
594V36.9Very low39.4Very low121 Ų121126.4 Ų126.473%0.73376%0.756SS**  trans80.1103.9144.4161.60000121.6
595S33.3Very low39.4Very low108 Ų108123.4 Ų123.476%0.75575%0.75SS**  63.5153.6121.6-49.80000125.3
596A33.2Very low39.4Very low102 Ų102122.3 Ų122.384%0.84374%0.739SS**  trans74.1149.3154.400000118.7
597A34Very low39.1Very low81 Ų81117.6 Ų117.667%0.66973%0.732SS**  cis-165.4169.9-25.100000110.8
598K38Very low38.8Very low200 Ų200122.7 Ų122.787%0.8773%0.734SS**  trans71.5131.9157.5-69.7164.8-177.3176.40119.4
599H43.3Very low39.2Very low184 Ų184116.3 Ų116.385%0.85273%0.726SS**  trans-68.1-177.2168.8-42.1-87.8000110.8
600A37.8Very low39.3Very low84 Ų84120.4 Ų120.469%0.69473%0.727SS**  179.91496100000117.1
601L42.9Very low39.1Very low154 Ų154117.9 Ų117.981%0.80672%0.716SS**  trans69.2171.4139.1-96.880.6000120
602P45Very low39.7Very low114 Ų114120 Ų12074%0.7472%0.718SS**  cis-124.7173.911.527.9-4.9000119.1
603R40.6Very low40Very low108 Ų108122.3 Ų122.341%0.40872%0.72SS.*  trans-148.9156.4-170.3172.4177.2-174.6174.35.3113.4S253 S254 C255 T605S253-R603 PolarHBondContact OG-NH1 2.98Å; S254-R603 WeakPolarHBondContact O-CD 3.35Å; S254-R603 PolarHBondContact O-NE 2.92Å; S254-R603 VanDerWaalsContact O-NE 3.08Å; S254-R603 PolarHBondContact O-NH1 3.45Å; S254-R603 VanDerWaalsContact O-NH1 3.13Å; C255-R603 HydrophobicContact CB-CB 3.49Å; C255-R603 VanDerWaalsContact CB-CB 3.49Å; C255-R603 HydrophobicContact CB-CG 3.5Å; C255-R603 VanDerWaalsContact CB-CG 3.5Å; R603-T605 PolarHBondContact NE-OG1 3.21Å
604P47Very low40Very low74 Ų74120.7 Ų120.748%0.48172%0.723SS.*  trans-115.2166153.111.111.7000114.7K256 R257K256-P604 VanDerWaalsContact O-CD 3.26Å; K256-P604 WeakPolarHBondContact O-CD 3.33Å; R257-P604 HydrophobicContact CG-CG 4.45Å
605T38Very low40.1Very low113 Ų113124.8 Ų124.869%0.69373%0.731SS**  trans-153.7152.1-176.8-51.20000114.9R603R603-T605 PolarHBondContact NE-OG1 3.21Å
606G41.8Very low40.6Very low57 Ų57129 Ų12959%0.58874%0.738SS**  trans-176.1-174.7166.200000109.1
607S35.7Very low40.9Very low107 Ų107133.3 Ų133.375%0.74874%0.738SS**  cis173.7124.4-21.842.60000105.7
608F33.4Very low41.5Very low178 Ų178136.8 Ų136.878%0.78175%0.746SS**  cis70.6131.321.6-50.3-67.9000113.5
609P49Very low41.6Very low120 Ų120132.7 Ų132.778%0.77974%0.737SS**  cis-102.616640.2617.2000114.9
610Q38.8Very low41.5Very low150 Ų150131.4 Ų131.470%0.70174%0.736SS**  cis72.4142.947.6-67.2-168.344.900113.6
611N35.9Very low41.9Very low129 Ų129137.6 Ų137.669%0.6974%0.741SS**  cis-168.1-171.68.2-110-2.5000109.5
612P50.3Low41.9Very low111 Ų111135.7 Ų135.772%0.72174%0.738SS**  cis-138177.9-34.340.5-22.6000116.3
613L40Very low41.2Very low167 Ų167135.7 Ų135.787%0.87474%0.74SS**  trans60.2104.3146.3-165.664.5000122.5
614G44.3Very low41.5Very low73 Ų73135.7 Ų135.775%0.75375%0.754SS**  trans-155.9154157.800000109.9
615K40.7Very low41.1Very low207 Ų207143.2 Ų143.290%0.977%0.772SS**  trans-107.6110.2-168.3-67.4-179.1-176.2172.70114.5
616E42.8Very low41.2Very low195 Ų195143.4 Ų143.491%0.91178%0.778SS**  trans-152.1168.8135.3-135.4-174.6120.300112.2D618E616-D618 VanDerWaalsContact C-N 3.29Å; E616-D618 PolarHBondContact O-N 3.04Å
617K40.6Very low41.3Very low193 Ų193151.5 Ų151.584%0.83979%0.791SS**  trans-84.961.6-171.2-81-178.5175.6169.20112.8T619K617-T619 PolarHBondContact O-N 2.9Å; K617-T619 PolarHBondContact O-OG1 3.49Å
618D45.2Very low41.5Very low155 Ų155148.9 Ų148.983%0.82978%0.781SS**  trans-70.182.1172.3-145.7-12.6000110.3E616 L620E616-D618 VanDerWaalsContact C-N 3.29Å; E616-D618 PolarHBondContact O-N 3.04Å; D618-L620 PolarHBondContact O-N 3.38Å
619T41.1Very low41.9Very low113 Ų113148.7 Ų148.769%0.69379%0.788SS**  trans-77.191.8-173.2-57.80000107.3K617 R621K617-T619 PolarHBondContact O-N 2.9Å; K617-T619 PolarHBondContact O-OG1 3.49Å; T619-R621 VanDerWaalsContact C-N 3.32Å; T619-R621 PolarHBondContact O-N 2.9Å
620L41.4Very low41.9Very low158 Ų158151.2 Ų151.283%0.82779%0.793SS**  trans-40.393.6178.7-72.7175.4000111.2D618 P622D618-L620 PolarHBondContact O-N 3.38Å; L620-P622 WeakPolarHBondContact O-CD 3.39Å; L620-P622 VanDerWaalsContact O-N 3.15Å
621R44.9Very low42.8Very low213 Ų213146.3 Ų146.380%0.80478%0.783SS**  trans-59.4122.4-177.8-168.9-179.8-168.5-172.76.2105.3T619 C623T619-R621 VanDerWaalsContact C-N 3.32Å; T619-R621 PolarHBondContact O-N 2.9Å; R621-C623 PolarHBondContact O-N 3.1Å
622P43.5Very low44.1Very low114 Ų114145.4 Ų145.474%0.7478%0.784SS**  trans-52.1121.8174.6-23.532.4000106.6L620L620-P622 WeakPolarHBondContact O-CD 3.39Å; L620-P622 VanDerWaalsContact O-N 3.15Å
623C30.6Very low44.5Very low115 Ų115145.7 Ų145.778%0.77779%0.789SS**  trans-45.5121.9178.4-61.70000106.2R621 R625R621-C623 PolarHBondContact O-N 3.1Å; C623-R625 VanDerWaalsContact C-N 3.32Å; C623-R625 PolarHBondContact O-N 2.76Å
624P47.6Very low45.9Very low107 Ų107144.6 Ų144.670%0.69578%0.779SS**  trans-58.8110.3176.723.3-31000104.8S626P624-S626 VanDerWaalsContact C-N 3.35Å; P624-S626 PolarHBondContact O-N 2.93Å
625R37.3Very low47.7Very low233 Ų233144.2 Ų144.288%0.87977%0.765SS**  trans-45.6119.6147.3-80.8-176.8172.5177.5-3102.7C623 R627C623-R625 VanDerWaalsContact C-N 3.32Å; C623-R625 PolarHBondContact O-N 2.76Å; R625-R627 PolarHBondContact O-N 3.49Å
626S40.9Very low49.9Very low116 Ų116138 Ų13881%0.81175%0.748SS**  trans-62.375.8161.836.30000105.9P624 G628P624-S626 VanDerWaalsContact C-N 3.35Å; P624-S626 PolarHBondContact O-N 2.93Å; S626-G628 VanDerWaalsContact O-CA 3.29Å; S626-G628 WeakPolarHBondContact O-CA 3.39Å; S626-G628 PolarHBondContact O-N 3.17Å
627R43.1Very low52.3Low227 Ų227134.8 Ų134.886%0.85773%0.732SS**  trans-57.992.3167.1172.4-164.6-68.3-112.65.7101.8R625 L629R625-R627 PolarHBondContact O-N 3.49Å; R627-L629 PolarHBondContact O-N 3.07Å; R627-L629 VanDerWaalsContact O-N 3.14Å
628G40.2Very low54.6Low53 Ų53127.4 Ų127.455%0.54671%0.705SS.*  trans-48124.3-149.800000108.9S626 L630S626-G628 VanDerWaalsContact O-CA 3.29Å; S626-G628 WeakPolarHBondContact O-CA 3.39Å; S626-G628 PolarHBondContact O-N 3.17Å; G628-L630 PolarHBondContact O-N 2.93Å
629L42.5Very low56.9Low174 Ų174124.6 Ų124.691%0.91169%0.69SS**  trans-50.5109.7-179.4-77.2171.5000106R627 G631R627-L629 PolarHBondContact O-N 3.07Å; R627-L629 VanDerWaalsContact O-N 3.14Å; L629-G631 PolarHBondContact O-N 2.88Å
630L48.9Very low59.4Low172 Ų172126.3 Ų126.390%0.90168%0.684SS**  trans-68.489.2178-83.5158.9000104.2G628G628-L630 PolarHBondContact O-N 2.93Å
631G57.3Low61.9Low47 Ų47122.9 Ų122.949%0.48566%0.663SS.*  trans-50.5140.1-176.700000108.7L629 S633L629-G631 PolarHBondContact O-N 2.88Å; G631-S633 WeakPolarHBondContact O-CA 3.35Å; G631-S633 PolarHBondContact O-N 3.33Å
632P62.7Low64.3Low110 Ų110117.6 Ų117.671%0.71465%0.646SS**  trans-40.6111.4-163.9-32.735000111H634P632-H634 VanDerWaalsContact C-N 3.32Å; P632-H634 PolarHBondContact O-N 3.18Å; P632-H634 PolarHBondContact O-ND1 3.23Å
633S60.3Low66.8Low117 Ų117117.7 Ų117.782%0.81864%0.638SS**  trans-6592.2-159.953.60000110.1G631 S635G631-S633 WeakPolarHBondContact O-CA 3.35Å; G631-S633 PolarHBondContact O-N 3.33Å; S633-S635 PolarHBondContact O-N 2.87Å
634H68.5Low70Confident144 Ų144118.3 Ų118.367%0.66762%0.624SS**  trans-56.2115.7-164.2-62.7-64.3000110P632 S636P632-H634 VanDerWaalsContact C-N 3.32Å; P632-H634 PolarHBondContact O-N 3.18Å; P632-H634 PolarHBondContact O-ND1 3.23Å; H634-S636 PolarHBondContact O-N 3.46Å
635S82.5Confident72.3Confident66 Ų66118.9 Ų118.946%0.46262%0.618SS.*  trans-56.4144.3172.471.30000108.5S633 E637 S638 L639S633-S635 PolarHBondContact O-N 2.87Å; S635-E637 PolarHBondContact O-N 2.87Å; S635-S638 PolarHBondContact N-OG 3.34Å; S635-S638 PolarHBondContact O-N 3.37Å; S635-S638 PolarHBondContact O-OG 2.81Å; S635-S638 WeakPolarHBondContact OG-CB 3.29Å; S635-S638 PolarHBondContact OG-N 3.46Å; S635-S638 PolarHBondContact OG-OG 3.34Å; S635-L639 PolarHBondContact O-N 3.3Å; S635-L639 VanDerWaalsContact O-N 3.08Å
636S87.3Confident75.2Confident77 Ų77113 Ų11354%0.53860%0.598SS.*Hα-helixtrans-61.1-14.3-179.978.70000112.9H634 R640H634-S636 PolarHBondContact O-N 3.46Å; S636-R640 VanDerWaalsContact O-CG 3.31Å; S636-R640 WeakPolarHBondContact O-CG 3.41Å; S636-R640 PolarHBondContact O-N 2.84Å; S636-R640 PolarHBondContact O-NE 3Å; S636-R640 PolarHBondContact OG-NH2 3.44Å
637E91.7Very high77.9Confident126 Ų126109.7 Ų109.759%0.58958%0.578SS**Hα-helixtrans-78.2-53.1169.7-175.1149.2-122.800112S635 L639 R640 E641S635-E637 PolarHBondContact O-N 2.87Å; E637-L639 PolarHBondContact O-N 3.18Å; E637-R640 CarbonylContact O-C 3.51Å; E637-R640 WeakPolarHBondContact O-CA 3.35Å; E637-R640 WeakPolarHBondContact O-CB 3.32Å; E637-R640 PolarHBondContact O-N 2.71Å; E637-E641 PolarHBondContact O-N 3.46Å
638S90Very high80.4Confident39 Ų39104.3 Ų104.327%0.27356%0.563SS.*Hα-helixtrans-57-35.8176.767.40000113S635 E641 F642S635-S638 PolarHBondContact N-OG 3.34Å; S635-S638 PolarHBondContact O-N 3.37Å; S635-S638 PolarHBondContact O-OG 2.81Å; S635-S638 WeakPolarHBondContact OG-CB 3.29Å; S635-S638 PolarHBondContact OG-N 3.46Å; S635-S638 PolarHBondContact OG-OG 3.34Å; S638-E641 PolarHBondContact O-N 2.9Å; S638-F642 WeakPolarHBondContact O-CB 3.43Å; S638-F642 PolarHBondContact O-N 2.85Å
639L92.8Very high83.1Confident95 Ų95104.5 Ų104.550%0.49756%0.559SS.*Hα-helixtrans-67.8-39.9172.8179.960000112S635 E637 E641 M643S635-L639 PolarHBondContact O-N 3.3Å; S635-L639 VanDerWaalsContact O-N 3.08Å; E637-L639 PolarHBondContact O-N 3.18Å; L639-E641 VanDerWaalsContact C-N 3.32Å; L639-M643 WeakPolarHBondContact O-CB 3.2Å; L639-M643 VanDerWaalsContact O-CG 3.24Å; L639-M643 WeakPolarHBondContact O-CG 3.44Å; L639-M643 PolarHBondContact O-N 2.9Å
640R94.2Very high85.8Confident150 Ų150104.9 Ų104.957%0.56655%0.549SS*.Hα-helixtrans-65.7-37.1174.1-81.7-179.8-97.4-158.1-2.1111S636 E637 M643 R644S636-R640 VanDerWaalsContact O-CG 3.31Å; S636-R640 WeakPolarHBondContact O-CG 3.41Å; S636-R640 PolarHBondContact O-N 2.84Å; S636-R640 PolarHBondContact O-NE 3Å; S636-R640 PolarHBondContact OG-NH2 3.44Å; E637-R640 CarbonylContact O-C 3.51Å; E637-R640 WeakPolarHBondContact O-CA 3.35Å; E637-R640 WeakPolarHBondContact O-CB 3.32Å; E637-R640 PolarHBondContact O-N 2.71Å; R640-M643 PolarHBondContact O-N 3.44Å; R640-R644 WeakPolarHBondContact O-CG 3.32Å; R640-R644 PolarHBondContact O-N 3.46Å
641E94.1Very high88Confident86 Ų86105.6 Ų105.640%0.40254%0.539SS..Hα-helixtrans-67.2-48.1175-73.6-172151.200113.2E637 S638 L639 M643 R644 Q645E637-E641 PolarHBondContact O-N 3.46Å; S638-E641 PolarHBondContact O-N 2.9Å; L639-E641 VanDerWaalsContact C-N 3.32Å; E641-M643 PolarHBondContact O-N 3.3Å; E641-R644 CarbonylContact O-C 3.55Å; E641-R644 WeakPolarHBondContact O-CA 3.45Å; E641-R644 WeakPolarHBondContact O-CB 3.42Å; E641-R644 PolarHBondContact O-N 2.93Å; E641-R644 IonicContact OE1-NH2 3.22Å; E641-R644 PolarHBondContact OE1-NH2 2.95Å; E641-Q645 WeakPolarHBondContact O-CB 3.44Å; E641-Q645 WeakPolarHBondContact O-CG 3.48Å; E641-Q645 PolarHBondContact O-N 3.38Å
642F95Very high89.9Confident101 Ų101111.8 Ų111.844%0.44355%0.548SS..Hα-helixtrans-55.7-39.1173176.9-105.5000112S638 K646S638-F642 WeakPolarHBondContact O-CB 3.43Å; S638-F642 PolarHBondContact O-N 2.85Å; F642-K646 HydrophobicContact CE1-CD 3.96Å; F642-K646 HydrophobicContact CE2-CD 4.41Å; F642-K646 HydrophobicContact CZ-CD 3.83Å; F642-K646 VanDerWaalsContact CZ-CE 3.4Å; F642-K646 HydrophobicContact CZ-CG 4.44Å; F642-K646 WeakPolarHBondContact O-CB 3.36Å; F642-K646 PolarHBondContact O-N 3.44Å
643M96Very high91.6Very high116 Ų116111.4 Ų111.457%0.57154%0.537SS*.Hα-helixtrans-70.7-39174.9-69.8-66-75.700112.8L639 R640 E641 A647L639-M643 WeakPolarHBondContact O-CB 3.2Å; L639-M643 VanDerWaalsContact O-CG 3.24Å; L639-M643 WeakPolarHBondContact O-CG 3.44Å; L639-M643 PolarHBondContact O-N 2.9Å; R640-M643 PolarHBondContact O-N 3.44Å; E641-M643 PolarHBondContact O-N 3.3Å; M643-A647 WeakPolarHBondContact O-CB 3.38Å; M643-A647 PolarHBondContact O-N 2.93Å
644R96.5Very high93.3Very high129 Ų129108 Ų10849%0.48752%0.515SS..Hα-helixtrans-59.6-48170.5-73.9-171.8-71-119.117.1111R640 E641 A647 Q648R640-R644 WeakPolarHBondContact O-CG 3.32Å; R640-R644 PolarHBondContact O-N 3.46Å; E641-R644 CarbonylContact O-C 3.55Å; E641-R644 WeakPolarHBondContact O-CA 3.45Å; E641-R644 WeakPolarHBondContact O-CB 3.42Å; E641-R644 PolarHBondContact O-N 2.93Å; E641-R644 IonicContact OE1-NH2 3.22Å; E641-R644 PolarHBondContact OE1-NH2 2.95Å; R644-A647 PolarHBondContact O-N 3.41Å; R644-Q648 WeakPolarHBondContact O-CG 3.07Å; R644-Q648 PolarHBondContact O-N 3.18Å
645Q96.7Very high94.6Very high118 Ų118106.7 Ų106.755%0.55151%0.513SS*.Hα-helixtrans-62.4-46.8178.5-71.9173.5-300111.8E641 A647 Q648 A649E641-Q645 WeakPolarHBondContact O-CB 3.44Å; E641-Q645 WeakPolarHBondContact O-CG 3.48Å; E641-Q645 PolarHBondContact O-N 3.38Å; Q645-A647 VanDerWaalsContact C-N 3.31Å; Q645-A647 PolarHBondContact O-N 3Å; Q645-Q648 PolarHBondContact O-N 2.97Å; Q645-A649 WeakPolarHBondContact O-CB 3.43Å; Q645-A649 PolarHBondContact O-N 3.45Å
646K97.5Very high95.3Very high109 Ų109109.2 Ų109.247%0.47452%0.517SS..Hα-helixtrans-63.3-34.3174.6-87.5-166.2170.9-178.70113F642 R650F642-K646 HydrophobicContact CE1-CD 3.96Å; F642-K646 HydrophobicContact CE2-CD 4.41Å; F642-K646 HydrophobicContact CZ-CD 3.83Å; F642-K646 VanDerWaalsContact CZ-CE 3.4Å; F642-K646 HydrophobicContact CZ-CG 4.44Å; F642-K646 WeakPolarHBondContact O-CB 3.36Å; F642-K646 PolarHBondContact O-N 3.44Å; K646-R650 VanDerWaalsContact O-CG 3.31Å; K646-R650 WeakPolarHBondContact O-CG 3.44Å; K646-R650 PolarHBondContact O-N 3Å; K646-R650 VanDerWaalsContact O-N 3.11Å
647A97.4Very high95.7Very high47 Ų47110.8 Ų110.839%0.38852%0.516SS..Hα-helixtrans-67.5-40.9173.300000112M643 R644 Q645 R651M643-A647 WeakPolarHBondContact O-CB 3.38Å; M643-A647 PolarHBondContact O-N 2.93Å; R644-A647 PolarHBondContact O-N 3.41Å; Q645-A647 VanDerWaalsContact C-N 3.31Å; Q645-A647 PolarHBondContact O-N 3Å; A647-R651 WeakPolarHBondContact O-CG 3.42Å; A647-R651 PolarHBondContact O-N 2.96Å; A647-R651 VanDerWaalsContact O-N 3.15Å
648Q97.3Very high96Very high114 Ų114111.5 Ų111.553%0.53352%0.517SS..Hα-helixtrans-66.5-42.8174.7-72.7172.6-15.200112.4R644 Q645 R650 R651 R652R644-Q648 WeakPolarHBondContact O-CG 3.07Å; R644-Q648 PolarHBondContact O-N 3.18Å; Q645-Q648 PolarHBondContact O-N 2.97Å; Q648-R650 PolarHBondContact O-N 2.73Å; Q648-R651 WeakPolarHBondContact O-CB 3.31Å; Q648-R651 PolarHBondContact O-N 3.34Å; Q648-R651 VanDerWaalsContact O-N 3.11Å; Q648-R652 PolarHBondContact O-N 3.08Å
649A96.5Very high96.3Very high57 Ų57111.8 Ų111.847%0.47152%0.522SS..Hα-helixtrans-60.2-45.3176.600000111.8Q645 R651 R652 Q653Q645-A649 WeakPolarHBondContact O-CB 3.43Å; Q645-A649 PolarHBondContact O-N 3.45Å; A649-R651 VanDerWaalsContact C-N 3.29Å; A649-R651 PolarHBondContact O-N 3.31Å; A649-R652 PolarHBondContact O-N 3.36Å; A649-Q653 PolarHBondContact O-N 2.73Å
650R97.8Very high96.5Very high183 Ų183110.4 Ų110.469%0.69152%0.52SS*.Hα-helixtrans-59.6-37.3172.9-74.2172.3176.4177.9-1.9112.7K646 Q648 A654K646-R650 VanDerWaalsContact O-CG 3.31Å; K646-R650 WeakPolarHBondContact O-CG 3.44Å; K646-R650 PolarHBondContact O-N 3Å; K646-R650 VanDerWaalsContact O-N 3.11Å; Q648-R650 PolarHBondContact O-N 2.73Å; R650-A654 VanDerWaalsContact O-CB 3.27Å; R650-A654 WeakPolarHBondContact O-CB 3.27Å; R650-A654 PolarHBondContact O-N 3.15Å
651R96.5Very high96.6Very high187 Ų187106.1 Ų106.171%0.70652%0.517SS*.Hα-helixtrans-67-40.7175.3-73175.3-178.9-168.60.6112A647 Q648 A649 A654 L655A647-R651 WeakPolarHBondContact O-CG 3.42Å; A647-R651 PolarHBondContact O-N 2.96Å; A647-R651 VanDerWaalsContact O-N 3.15Å; Q648-R651 WeakPolarHBondContact O-CB 3.31Å; Q648-R651 PolarHBondContact O-N 3.34Å; Q648-R651 VanDerWaalsContact O-N 3.11Å; A649-R651 VanDerWaalsContact C-N 3.29Å; A649-R651 PolarHBondContact O-N 3.31Å; R651-A654 PolarHBondContact O-N 2.97Å; R651-L655 WeakPolarHBondContact O-CG 3.45Å; R651-L655 PolarHBondContact O-N 3.27Å
652R97Very high96.7Very high176 Ų176107.4 Ų107.466%0.66453%0.526SS*.Hα-helixtrans-62.8-53174.9-71.4-177.2177.8177.7-1.2111.4Q648 A649 A654 L655 E656Q648-R652 PolarHBondContact O-N 3.08Å; A649-R652 PolarHBondContact O-N 3.36Å; R652-A654 VanDerWaalsContact C-N 3.3Å; R652-A654 PolarHBondContact O-N 3.18Å; R652-L655 WeakPolarHBondContact O-CA 3.3Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 3.38Å; R652-E656 WeakPolarHBondContact O-CG 3.38Å; R652-E656 PolarHBondContact O-N 3.19Å
653Q97.2Very high96.8Very high103 Ų103111.7 Ų111.748%0.48154%0.539SS..Hα-helixtrans-53.6-45.2175.4-176.7-175.3-12.900112A649 L655 E656 E657A649-Q653 PolarHBondContact O-N 2.73Å; Q653-L655 PolarHBondContact O-N 3.49Å; Q653-E656 PolarHBondContact O-N 3.42Å; Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.35Å; Q653-E657 PolarHBondContact NE2-OE1 2.91Å; Q653-E657 WeakPolarHBondContact O-CB 3.38Å; Q653-E657 WeakPolarHBondContact O-CG 3.39Å; Q653-E657 PolarHBondContact O-N 2.67Å
654A96.9Very high96.7Very high44 Ų44110.8 Ų110.836%0.36454%0.54SS..Hα-helixtrans-67.9-18.817900000114.4R650 R651 R652 K658R650-A654 VanDerWaalsContact O-CB 3.27Å; R650-A654 WeakPolarHBondContact O-CB 3.27Å; R650-A654 PolarHBondContact O-N 3.15Å; R651-A654 PolarHBondContact O-N 2.97Å; R652-A654 VanDerWaalsContact C-N 3.3Å; R652-A654 PolarHBondContact O-N 3.18Å; A654-K658 WeakPolarHBondContact O-CD 3.36Å; A654-K658 VanDerWaalsContact O-CG 3.22Å; A654-K658 WeakPolarHBondContact O-CG 3.32Å
655L96.7Very high96.8Very high117 Ų117114 Ų11461%0.61355%0.552SS**Hα-helixtrans-85.4-40.5171-69.5169.1000111.2R651 R652 Q653 K658 A659R651-L655 WeakPolarHBondContact O-CG 3.45Å; R651-L655 PolarHBondContact O-N 3.27Å; R652-L655 WeakPolarHBondContact O-CA 3.3Å; R652-L655 WeakPolarHBondContact O-CB 3.49Å; R652-L655 PolarHBondContact O-N 3.38Å; Q653-L655 PolarHBondContact O-N 3.49Å; L655-K658 PolarHBondContact O-N 2.98Å; L655-A659 WeakPolarHBondContact O-CB 3.45Å; L655-A659 PolarHBondContact O-N 2.86Å
656E96.6Very high96.8Very high119 Ų119112.7 Ų112.756%0.55655%0.546SS*.Hα-helixtrans-63.4-40.8175.3-69.6158.4-148.600112R652 Q653 A659 S660R652-E656 WeakPolarHBondContact O-CG 3.38Å; R652-E656 PolarHBondContact O-N 3.19Å; Q653-E656 PolarHBondContact O-N 3.42Å; E656-A659 PolarHBondContact O-N 2.91Å; E656-S660 VanDerWaalsContact O-CB 3.31Å; E656-S660 WeakPolarHBondContact O-CB 3.36Å; E656-S660 PolarHBondContact O-N 3.05Å; E656-S660 PolarHBondContact O-OG 3Å
657E95.2Very high96.7Very high111 Ų111111.9 Ų111.952%0.51955%0.547SS..Hα-helixtrans-65.4-40.1173.6-74.8177.3-177.300111.8Q653 S660 A661Q653-E657 HydrophobicContact CG-CG 4.33Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.35Å; Q653-E657 PolarHBondContact NE2-OE1 2.91Å; Q653-E657 WeakPolarHBondContact O-CB 3.38Å; Q653-E657 WeakPolarHBondContact O-CG 3.39Å; Q653-E657 PolarHBondContact O-N 2.67Å; E657-S660 PolarHBondContact O-N 2.96Å; E657-A661 WeakPolarHBondContact O-CB 3.26Å; E657-A661 PolarHBondContact O-N 3.4Å
658K97.5Very high96.8Very high140 Ų140118.1 Ų118.161%0.60956%0.56SS**Hα-helixtrans-63.6-45.6173.1-78.6174.6-178.8-175.90112.1A654 L655 S660 A661 L662A654-K658 WeakPolarHBondContact O-CD 3.36Å; A654-K658 VanDerWaalsContact O-CG 3.22Å; A654-K658 WeakPolarHBondContact O-CG 3.32Å; L655-K658 PolarHBondContact O-N 2.98Å; K658-S660 VanDerWaalsContact C-N 3.32Å; K658-S660 PolarHBondContact O-N 3.36Å; K658-A661 PolarHBondContact O-N 2.88Å; K658-L662 WeakPolarHBondContact O-CG 3.47Å; K658-L662 PolarHBondContact O-N 3.23Å
659A96.4Very high96.6Very high46 Ų46115.2 Ų115.238%0.3855%0.552SS.*Hα-helixtrans-62.3-40.3176.600000111.7L655 E656 L662 R663L655-A659 WeakPolarHBondContact O-CB 3.45Å; L655-A659 PolarHBondContact O-N 2.86Å; E656-A659 PolarHBondContact O-N 2.91Å; A659-L662 PolarHBondContact O-N 2.98Å; A659-R663 WeakPolarHBondContact O-CG 3.46Å; A659-R663 PolarHBondContact O-N 3.41Å
660S96.5Very high96.6Very high66 Ų66119.8 Ų119.846%0.46256%0.557SS.*Hα-helixtrans-65.7-40.2175.6-58.60000112.4E656 E657 K658 T664E656-S660 VanDerWaalsContact O-CB 3.31Å; E656-S660 WeakPolarHBondContact O-CB 3.36Å; E656-S660 PolarHBondContact O-N 3.05Å; E656-S660 PolarHBondContact O-OG 3Å; E657-S660 PolarHBondContact O-N 2.96Å; K658-S660 VanDerWaalsContact C-N 3.32Å; K658-S660 PolarHBondContact O-N 3.36Å; S660-T664 WeakPolarHBondContact O-CB 3.39Å; S660-T664 PolarHBondContact O-N 3.45Å; S660-T664 PolarHBondContact O-OG1 3.15Å
661A96.4Very high96.6Very high59 Ų59119.2 Ų119.249%0.48856%0.555SS.*Hα-helixtrans-65-40.4174.800000112.2E657 K658 T664 R665E657-A661 WeakPolarHBondContact O-CB 3.26Å; E657-A661 PolarHBondContact O-N 3.4Å; K658-A661 PolarHBondContact O-N 2.88Å; A661-T664 PolarHBondContact O-N 2.74Å; A661-R665 WeakPolarHBondContact O-CB 3.23Å; A661-R665 PolarHBondContact O-N 2.92Å
662L96.8Very high96.6Very high114 Ų114114.7 Ų114.760%0.59755%0.545SS*.Hα-helixtrans-62.8-49.6174.7-72172.6000111.8K658 A659 T664 R665 E666K658-L662 WeakPolarHBondContact O-CG 3.47Å; K658-L662 PolarHBondContact O-N 3.23Å; A659-L662 PolarHBondContact O-N 2.98Å; L662-T664 VanDerWaalsContact C-N 3.27Å; L662-T664 PolarHBondContact O-N 3.41Å; L662-R665 WeakPolarHBondContact O-CB 3.38Å; L662-R665 PolarHBondContact O-N 3.41Å; L662-R665 VanDerWaalsContact O-N 3.15Å; L662-E666 PolarHBondContact O-N 2.9Å
663R96.7Very high96.5Very high190 Ų190112.5 Ų112.572%0.71754%0.542SS*.Hα-helixtrans-57.1-39.4174.1-72.9178175.8179.1-1.2112.4A659 E666 L667A659-R663 WeakPolarHBondContact O-CG 3.46Å; A659-R663 PolarHBondContact O-N 3.41Å; R663-E666 PolarHBondContact O-N 2.87Å; R663-L667 WeakPolarHBondContact O-CB 3.23Å; R663-L667 PolarHBondContact O-N 3.02Å
664T95.4Very high96.4Very high97 Ų97110.7 Ų110.760%0.59553%0.534SS*.Hα-helixtrans-67.2-40.6177.5-55.90000111.9S660 A661 L662 R668S660-T664 WeakPolarHBondContact O-CB 3.39Å; S660-T664 PolarHBondContact O-N 3.45Å; S660-T664 PolarHBondContact O-OG1 3.15Å; A661-T664 PolarHBondContact O-N 2.74Å; L662-T664 VanDerWaalsContact C-N 3.27Å; L662-T664 PolarHBondContact O-N 3.41Å; T664-R668 PolarHBondContact O-N 2.96Å; T664-R668 VanDerWaalsContact O-N 3.08Å
665R97.3Very high96.3Very high196 Ų196111.8 Ų111.874%0.7454%0.536SS*.Hα-helixtrans-63.2-43.9174-179.5179.7176.1-177.6-1.7111.3A661 L662 R668 S669A661-R665 WeakPolarHBondContact O-CB 3.23Å; A661-R665 PolarHBondContact O-N 2.92Å; L662-R665 WeakPolarHBondContact O-CB 3.38Å; L662-R665 PolarHBondContact O-N 3.41Å; L662-R665 VanDerWaalsContact O-N 3.15Å; R665-R668 WeakPolarHBondContact O-CB 3.31Å; R665-R668 PolarHBondContact O-N 3.16Å; R665-S669 PolarHBondContact O-N 2.91Å; R665-S669 PolarHBondContact O-OG 3.38Å
666E96Very high96.1Very high91 Ų91112.7 Ų112.743%0.42553%0.532SS..Hα-helixtrans-63.8-43.8179.4-162.5-163147.800111.9L662 R663 R668 S669 R670L662-E666 PolarHBondContact O-N 2.9Å; R663-E666 PolarHBondContact O-N 2.87Å; E666-R668 VanDerWaalsContact C-N 3.28Å; E666-R668 PolarHBondContact O-N 3.09Å; E666-S669 WeakPolarHBondContact CA-OG 3.47Å; E666-S669 PolarHBondContact O-N 3.37Å; E666-S669 PolarHBondContact O-OG 2.97Å; E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 3.42Å; E666-R670 IonicContact OE1-CZ 2.71Å; E666-R670 VanDerWaalsContact OE1-CZ 3.22Å; E666-R670 IonicContact OE1-NE 3.41Å; E666-R670 PolarHBondContact OE1-NE 3.4Å; E666-R670 IonicContact OE1-NH2 3.88Å; E666-R670 PolarHBondContact OE1-NH2 2.92Å
667L97.4Very high95.9Very high93 Ų93111.8 Ų111.849%0.48752%0.523SS..Hα-helixtrans-61.4-36.6173.9-17564.3000111.7R663 R671R663-L667 WeakPolarHBondContact O-CB 3.23Å; R663-L667 PolarHBondContact O-N 3.02Å; L667-R671 WeakPolarHBondContact O-CB 3.44Å; L667-R671 VanDerWaalsContact O-CG 3.32Å; L667-R671 WeakPolarHBondContact O-CG 3.29Å; L667-R671 PolarHBondContact O-N 2.74Å
668R97.5Very high95.7Very high177 Ų177111.4 Ų111.467%0.66852%0.521SS*.Hα-helixtrans-66.2-41.3173.7-170.4175.8-175.3151.59.5111.9T664 R665 E666 L672T664-R668 PolarHBondContact O-N 2.96Å; T664-R668 VanDerWaalsContact O-N 3.08Å; R665-R668 WeakPolarHBondContact O-CB 3.31Å; R665-R668 PolarHBondContact O-N 3.16Å; E666-R668 VanDerWaalsContact C-N 3.28Å; E666-R668 PolarHBondContact O-N 3.09Å; R668-L672 WeakPolarHBondContact O-CB 3.47Å; R668-L672 PolarHBondContact O-N 3.04Å
669S94.8Very high95.3Very high53 Ų53109.8 Ų109.837%0.37152%0.516SS..Hα-helixtrans-68.4-40.3176.344.40000112.9R665 E666 R671 L672 Q673R665-S669 PolarHBondContact O-N 2.91Å; R665-S669 PolarHBondContact O-OG 3.38Å; E666-S669 WeakPolarHBondContact CA-OG 3.47Å; E666-S669 PolarHBondContact O-N 3.37Å; E666-S669 PolarHBondContact O-OG 2.97Å; S669-R671 PolarHBondContact O-N 3.16Å; S669-L672 PolarHBondContact O-N 3.32Å; S669-Q673 WeakPolarHBondContact O-CG 3.44Å; S669-Q673 PolarHBondContact O-N 3.46Å
670R96.2Very high94.8Very high153 Ų153115.5 Ų115.558%0.57753%0.528SS*.Hα-helixtrans-60.3-45.1174.1-70.1178.2-175.7-136.57.1111.2E666 L672 Q673 E674E666-R670 WeakPolarHBondContact O-CG 3.46Å; E666-R670 PolarHBondContact O-N 3.42Å; E666-R670 IonicContact OE1-CZ 2.71Å; E666-R670 VanDerWaalsContact OE1-CZ 3.22Å; E666-R670 IonicContact OE1-NE 3.41Å; E666-R670 PolarHBondContact OE1-NE 3.4Å; E666-R670 IonicContact OE1-NH2 3.88Å; E666-R670 PolarHBondContact OE1-NH2 2.92Å; R670-L672 VanDerWaalsContact C-N 3.34Å; R670-L672 PolarHBondContact O-N 2.97Å; R670-Q673 PolarHBondContact O-N 3.32Å; R670-E674 WeakPolarHBondContact O-CB 3.35Å; R670-E674 PolarHBondContact O-N 3.41Å
671R97.3Very high94.3Very high171 Ų171116.5 Ų116.565%0.64553%0.525SS*.Hα-helixtrans-62.9-36.6174.6-74.5176.8177.7-157.1-3.4113.2L667 S669 E674 V675L667-R671 WeakPolarHBondContact O-CB 3.44Å; L667-R671 VanDerWaalsContact O-CG 3.32Å; L667-R671 WeakPolarHBondContact O-CG 3.29Å; L667-R671 PolarHBondContact O-N 2.74Å; S669-R671 PolarHBondContact O-N 3.16Å; R671-E674 PolarHBondContact O-N 3.29Å; R671-V675 WeakPolarHBondContact O-CG2 3.49Å; R671-V675 PolarHBondContact O-N 3.36Å
672L97.3Very high93.6Very high92 Ų92116.7 Ų116.748%0.48253%0.527SS..Hα-helixtrans-70.8-40.2177.4-178.160.8000111.9R668 S669 R670 E674 V675 Y676R668-L672 WeakPolarHBondContact O-CB 3.47Å; R668-L672 PolarHBondContact O-N 3.04Å; S669-L672 PolarHBondContact O-N 3.32Å; R670-L672 VanDerWaalsContact C-N 3.34Å; R670-L672 PolarHBondContact O-N 2.97Å; L672-E674 VanDerWaalsContact C-N 3.31Å; L672-E674 PolarHBondContact O-N 3.44Å; L672-V675 PolarHBondContact O-N 2.91Å; L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.71Å; L672-Y676 HydrophobicContact CD2-CE2 4.19Å; L672-Y676 HydrophobicContact CG-CD2 4.02Å; L672-Y676 HydrophobicContact CG-CE2 3.67Å; L672-Y676 WeakPolarHBondContact O-CD2 3.47Å; L672-Y676 PolarHBondContact O-N 3.32Å
673Q95Very high92.7Very high130 Ų130116.5 Ų116.561%0.60753%0.53SS*.Hα-helixtrans-60.6-41.6171.6-73.3168-2400111.4S669 R670 Y676 R677S669-Q673 WeakPolarHBondContact O-CG 3.44Å; S669-Q673 PolarHBondContact O-N 3.46Å; R670-Q673 PolarHBondContact O-N 3.32Å; Q673-Y676 PolarHBondContact O-N 2.93Å; Q673-R677 WeakPolarHBondContact O-CB 3.49Å; Q673-R677 PolarHBondContact O-N 3.44Å
674E94.4Very high91.4Very high65 Ų65113.5 Ų113.530%0.30453%0.528SS..Hα-helixtrans-63.4-41.3175.5-179.659.3-166.800112.3R670 R671 L672 R677 Q678R670-E674 WeakPolarHBondContact O-CB 3.35Å; R670-E674 PolarHBondContact O-N 3.41Å; R671-E674 PolarHBondContact O-N 3.29Å; L672-E674 VanDerWaalsContact C-N 3.31Å; L672-E674 PolarHBondContact O-N 3.44Å; E674-R677 VanDerWaalsContact CD-NH2 3.33Å; E674-R677 WeakPolarHBondContact O-CB 3.31Å; E674-R677 PolarHBondContact O-N 2.92Å; E674-R677 IonicContact OE1-CZ 2.67Å; E674-R677 IonicContact OE1-NE 3.22Å; E674-R677 IonicContact OE1-NH2 2.71Å; E674-R677 PolarHBondContact OE1-NH2 2.94Å; E674-R677 IonicContact OE2-CZ 2.67Å; E674-R677 IonicContact OE2-NE 2.65Å; E674-R677 PolarHBondContact OE2-NE 3.44Å; E674-R677 IonicContact OE2-NH2 2.9Å; E674-R677 PolarHBondContact OE2-NH2 3.29Å; E674-R677 VanDerWaalsContact OE2-NH2 3.16Å; E674-Q678 WeakPolarHBondContact O-CB 3.29Å; E674-Q678 VanDerWaalsContact O-CG 3.32Å; E674-Q678 WeakPolarHBondContact O-CG 3.47Å; E674-Q678 PolarHBondContact O-N 2.96Å; E674-Q678 PolarHBondContact OE1-NE2 3.42Å
675V95.4Very high89.7Confident67 Ų67112 Ų11241%0.40653%0.532SS..Hα-helixtrans-62.7-42.4173169.10000111.6R671 L672 R677 Q678 Q679R671-V675 WeakPolarHBondContact O-CG2 3.49Å; R671-V675 PolarHBondContact O-N 3.36Å; L672-V675 PolarHBondContact O-N 2.91Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 3.31Å; V675-Q678 PolarHBondContact O-N 2.94Å; V675-Q679 HydrophobicContact CG1-CG 4.49Å; V675-Q679 WeakPolarHBondContact O-CB 3.35Å; V675-Q679 VanDerWaalsContact O-CG 3.29Å; V675-Q679 WeakPolarHBondContact O-CG 3.37Å; V675-Q679 PolarHBondContact O-N 2.9Å
676Y92.4Very high87.4Confident136 Ų136112.7 Ų112.753%0.53354%0.535SS..Hα-helixtrans-66.6-31.8174.7-74.5-56.1000113L672 Q673 R680L672-Y676 HydrophobicContact CD1-CD2 4.18Å; L672-Y676 HydrophobicContact CD1-CE2 3.71Å; L672-Y676 HydrophobicContact CD2-CE2 4.19Å; L672-Y676 HydrophobicContact CG-CD2 4.02Å; L672-Y676 HydrophobicContact CG-CE2 3.67Å; L672-Y676 WeakPolarHBondContact O-CD2 3.47Å; L672-Y676 PolarHBondContact O-N 3.32Å; Q673-Y676 PolarHBondContact O-N 2.93Å; Y676-R680 WeakPolarHBondContact O-CG 3.37Å; Y676-R680 PolarHBondContact O-N 2.88Å; Y676-R680 VanDerWaalsContact O-N 3.12Å
677R91.2Very high84.6Confident100 Ų100113 Ų11338%0.37755%0.552SS.*Hα-helixtrans-65.8-50.5172.4-176.217877.788.4-1110.6Q673 E674 V675 Q679 R680 E681Q673-R677 WeakPolarHBondContact O-CB 3.49Å; Q673-R677 PolarHBondContact O-N 3.44Å; E674-R677 VanDerWaalsContact CD-NH2 3.33Å; E674-R677 WeakPolarHBondContact O-CB 3.31Å; E674-R677 PolarHBondContact O-N 2.92Å; E674-R677 IonicContact OE1-CZ 2.67Å; E674-R677 IonicContact OE1-NE 3.22Å; E674-R677 IonicContact OE1-NH2 2.71Å; E674-R677 PolarHBondContact OE1-NH2 2.94Å; E674-R677 IonicContact OE2-CZ 2.67Å; E674-R677 IonicContact OE2-NE 2.65Å; E674-R677 PolarHBondContact OE2-NE 3.44Å; E674-R677 IonicContact OE2-NH2 2.9Å; E674-R677 PolarHBondContact OE2-NH2 3.29Å; E674-R677 VanDerWaalsContact OE2-NH2 3.16Å; V675-R677 VanDerWaalsContact C-N 3.32Å; V675-R677 PolarHBondContact O-N 3.31Å; R677-Q679 VanDerWaalsContact C-N 3.32Å; R677-Q679 PolarHBondContact O-N 2.96Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.3Å; R677-R680 VanDerWaalsContact O-N 3.16Å; R677-E681 WeakPolarHBondContact CD-OE1 3.45Å; R677-E681 WeakPolarHBondContact CG-OE1 3.43Å; R677-E681 IonicContact CZ-OE1 3.25Å; R677-E681 IonicContact CZ-OE2 2.96Å; R677-E681 IonicContact NE-OE1 2.6Å; R677-E681 IonicContact NH1-OE1 3.26Å; R677-E681 PolarHBondContact NH1-OE1 3.46Å; R677-E681 IonicContact NH1-OE2 3.4Å; R677-E681 PolarHBondContact NH1-OE2 3.03Å; R677-E681 WeakPolarHBondContact O-CB 3.47Å; R677-E681 WeakPolarHBondContact O-CG 3.34Å; R677-E681 PolarHBondContact O-N 3.32Å
678Q92.2Very high81.7Confident103 Ų103113.6 Ų113.648%0.48156%0.56SS.*Hα-helixtrans-62.5-35.8177.4-69.71747.600112.5E674 V675 E681 A682E674-Q678 WeakPolarHBondContact O-CB 3.29Å; E674-Q678 VanDerWaalsContact O-CG 3.32Å; E674-Q678 WeakPolarHBondContact O-CG 3.47Å; E674-Q678 PolarHBondContact O-N 2.96Å; E674-Q678 PolarHBondContact OE1-NE2 3.42Å; V675-Q678 PolarHBondContact O-N 2.94Å; Q678-E681 PolarHBondContact O-N 2.74Å; Q678-A682 VanDerWaalsContact O-CB 3.26Å; Q678-A682 WeakPolarHBondContact O-CB 3.36Å; Q678-A682 PolarHBondContact O-N 3.14Å
679Q88.7Confident78.9Confident107 Ų107109.8 Ų109.850%0.556%0.558SS.*Hα-helixtrans-63.9-43.9172.8-77.3174.3-1300112.1V675 R677 A682 V683V675-Q679 HydrophobicContact CG1-CG 4.49Å; V675-Q679 WeakPolarHBondContact O-CB 3.35Å; V675-Q679 VanDerWaalsContact O-CG 3.29Å; V675-Q679 WeakPolarHBondContact O-CG 3.37Å; V675-Q679 PolarHBondContact O-N 2.9Å; R677-Q679 VanDerWaalsContact C-N 3.32Å; R677-Q679 PolarHBondContact O-N 2.96Å; Q679-A682 PolarHBondContact O-N 3.04Å; Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.48Å; Q679-V683 PolarHBondContact O-N 3.4Å
680R86.3Confident76Confident165 Ų165114.2 Ų114.262%0.62358%0.582SS**Hα-helixtrans-62.5-45.4173.1-77167.347.3-149.7-13.3112Y676 R677 A682 V683 L684Y676-R680 WeakPolarHBondContact O-CG 3.37Å; Y676-R680 PolarHBondContact O-N 2.88Å; Y676-R680 VanDerWaalsContact O-N 3.12Å; R677-R680 WeakPolarHBondContact O-CB 3.48Å; R677-R680 PolarHBondContact O-N 3.3Å; R677-R680 VanDerWaalsContact O-N 3.16Å; R680-A682 VanDerWaalsContact C-N 3.33Å; R680-A682 PolarHBondContact O-N 3.13Å; R680-V683 PolarHBondContact O-N 3.08Å; R680-L684 WeakPolarHBondContact O-CB 3.38Å; R680-L684 WeakPolarHBondContact O-CG 3.48Å; R680-L684 PolarHBondContact O-N 2.94Å
681E85.9Confident73.1Confident87 Ų87111.3 Ų111.341%0.40758%0.582SS.*Hα-helixtrans-66.5-33.6179.9-73.8167-167.200111.9R677 Q678 G685R677-E681 WeakPolarHBondContact CD-OE1 3.45Å; R677-E681 WeakPolarHBondContact CG-OE1 3.43Å; R677-E681 IonicContact CZ-OE1 3.25Å; R677-E681 IonicContact CZ-OE2 2.96Å; R677-E681 IonicContact NE-OE1 2.6Å; R677-E681 IonicContact NH1-OE1 3.26Å; R677-E681 PolarHBondContact NH1-OE1 3.46Å; R677-E681 IonicContact NH1-OE2 3.4Å; R677-E681 PolarHBondContact NH1-OE2 3.03Å; R677-E681 WeakPolarHBondContact O-CB 3.47Å; R677-E681 WeakPolarHBondContact O-CG 3.34Å; R677-E681 PolarHBondContact O-N 3.32Å; Q678-E681 PolarHBondContact O-N 2.74Å; E681-G685 VanDerWaalsContact O-CA 3.3Å; E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 3.41Å
682A80.6Confident70Confident64 Ų64107 Ų10753%0.52958%0.577SS.*Hα-helixtrans-71.3-34.5172.500000113.3Q678 Q679 R680 R686Q678-A682 VanDerWaalsContact O-CB 3.26Å; Q678-A682 WeakPolarHBondContact O-CB 3.36Å; Q678-A682 PolarHBondContact O-N 3.14Å; Q679-A682 PolarHBondContact O-N 3.04Å; R680-A682 VanDerWaalsContact C-N 3.33Å; R680-A682 PolarHBondContact O-N 3.13Å; A682-R686 PolarHBondContact O-N 3.49Å
683V79.6Confident67.2Low109 Ų109114.9 Ų114.966%0.66160%0.601SS**Hα-helixtrans-71.7-34.5175.2167.90000112Q679 R680Q679-V683 VanDerWaalsContact O-CG2 3.3Å; Q679-V683 WeakPolarHBondContact O-CG2 3.48Å; Q679-V683 PolarHBondContact O-N 3.4Å; R680-V683 PolarHBondContact O-N 3.08Å
684L69Low64.3Low128 Ų128113.7 Ų113.767%0.6760%0.602SS**Hα-helixtrans-86.4-28.4177.3-66169.9000113.3R680R680-L684 WeakPolarHBondContact O-CB 3.38Å; R680-L684 WeakPolarHBondContact O-CG 3.48Å; R680-L684 PolarHBondContact O-N 2.94Å
685G60.4Low61.5Low66 Ų66115.8 Ų115.868%0.6862%0.62SS**Hα-helixtrans-88.9-16-175.300000114.8E681 A687E681-G685 VanDerWaalsContact O-CA 3.3Å; E681-G685 WeakPolarHBondContact O-CA 3.38Å; E681-G685 PolarHBondContact O-N 3.41Å; G685-A687 PolarHBondContact O-N 2.95Å
686R47.1Very low58.6Low210 Ų210116.1 Ų116.179%0.79262%0.623SS**SBendtrans-69.3122.4155.3-91.5-168.2167.5-148.2-3.8107.5A682 V688A682-R686 PolarHBondContact O-N 3.49Å; R686-V688 PolarHBondContact O-N 2.6Å
687A37.2Very low55.8Low96 Ų96112.1 Ų112.179%0.79362%0.624SS**  trans-50.2112.2171.900000109G685 P689G685-A687 PolarHBondContact O-N 2.95Å; A687-P689 WeakPolarHBondContact O-CD 3.41Å; A687-P689 VanDerWaalsContact O-N 3.1Å
688V38.4Very low53.2Low107 Ų107114.7 Ų114.765%0.64864%0.643SS**  trans-61.1113.9-172.6172.60000108R686 V690R686-V688 PolarHBondContact O-N 2.6Å; V688-V690 PolarHBondContact O-N 2.65Å
689P37Very low50.5Low96 Ų96113.5 Ų113.562%0.62364%0.643SS**  trans-58.5135.7164.8-13.628.6000106A687 V691A687-P689 WeakPolarHBondContact O-CD 3.41Å; A687-P689 VanDerWaalsContact O-N 3.1Å; P689-V691 HydrophobicContact CB-CG2 4.33Å; P689-V691 PolarHBondContact O-N 2.92Å
690V34.4Very low48Very low146 Ų146113.5 Ų113.589%0.88565%0.65SS**  trans-71.477175.3-177.40000108.1V688 S692V688-V690 PolarHBondContact O-N 2.65Å; V690-S692 PolarHBondContact O-N 3.32Å; V690-S692 VanDerWaalsContact O-N 3.08Å
691V36.2Very low45.3Very low93 Ų93113.5 Ų113.556%0.56466%0.655SS**  trans-65.1109.7171.6179.20000105.4P689P689-V691 HydrophobicContact CB-CG2 4.33Å; P689-V691 PolarHBondContact O-N 2.92Å
692S30.5Very low43.2Very low79 Ų79115.3 Ų115.355%0.55267%0.672SS**  trans-51.2157171.638.40000110.7V690 T694V690-S692 PolarHBondContact O-N 3.32Å; V690-S692 VanDerWaalsContact O-N 3.08Å; S692-T694 PolarHBondContact O-N 3.34Å; S692-T694 PolarHBondContact O-OG1 3.46Å; S692-T694 PolarHBondContact OG-OG1 2.89Å
693R39Very low41.2Very low259 Ų259116.2 Ų116.298%0.97767%0.672SS**THydrogen-bonded Turntrans-70.147.7-169.5-66179.1166.3-174.7-4.5114.1
694T35.1Very low39Very low104 Ų104116.3 Ų116.364%0.63868%0.678SS**THydrogen-bonded Turntrans-145.2-0.5-158.644.60000115S692S692-T694 PolarHBondContact O-N 3.34Å; S692-T694 PolarHBondContact O-OG1 3.46Å; S692-T694 PolarHBondContact OG-OG1 2.89Å
695T35.2Very low37.5Very low109 Ų109115 Ų11567%0.66968%0.679SS**  trans-125.796.5-170.8-48.80000113.9
696P34.7Very low36.4Very low74 Ų74116.1 Ų116.148%0.48168%0.682SS.*  trans-105.8145.2174.636.9-30.3000113.9
697G32.7Very low36.1Very low53 Ų53115 Ų11555%0.54669%0.686SS.*SBendtrans84.8146.4157.200000117.4V699G697-V699 PolarHBondContact O-N 3.07Å
698I36.1Very low36Very low154 Ų154116.1 Ų116.179%0.7969%0.688SS**  trans-75.5120.1173.9-62.9169.9000108.5T700I698-T700 PolarHBondContact O-N 3.29Å
699V36.4Very low35.9Very low77 Ų77114.7 Ų114.747%0.46770%0.695SS.*  trans-80.4102.9-178.4-174.40000110.8G697 F701G697-V699 PolarHBondContact O-N 3.07Å; V699-F701 HydrophobicContact CB-CE2 4.11Å; V699-F701 HydrophobicContact CB-CZ 4.28Å; V699-F701 HydrophobicContact CG1-CD1 4.13Å; V699-F701 HydrophobicContact CG1-CD2 4.01Å; V699-F701 HydrophobicContact CG1-CE1 3.78Å; V699-F701 HydrophobicContact CG1-CE2 3.64Å; V699-F701 HydrophobicContact CG1-CG 4.24Å; V699-F701 HydrophobicContact CG1-CZ 3.53Å; V699-F701 PolarHBondContact O-N 3.4Å
700T36.2Very low35.6Very low107 Ų107113.4 Ų113.466%0.65670%0.7SS**  trans-89.698.6169.852.50000110.3I698 V702I698-T700 PolarHBondContact O-N 3.29Å; T700-V702 PolarHBondContact O-N 3.45Å
701F29.6Very low35.9Very low165 Ų165114.8 Ų114.872%0.72470%0.701SS**  trans-69123.7176.9-60.6-89.2000111.4V699V699-F701 HydrophobicContact CB-CE2 4.11Å; V699-F701 HydrophobicContact CB-CZ 4.28Å; V699-F701 HydrophobicContact CG1-CD1 4.13Å; V699-F701 HydrophobicContact CG1-CD2 4.01Å; V699-F701 HydrophobicContact CG1-CE1 3.78Å; V699-F701 HydrophobicContact CG1-CE2 3.64Å; V699-F701 HydrophobicContact CG1-CG 4.24Å; V699-F701 HydrophobicContact CG1-CZ 3.53Å; V699-F701 PolarHBondContact O-N 3.4Å
702V42.7Very low35.8Very low126 Ų126119.2 Ų119.276%0.76472%0.715SS**  trans-116115.4172.2-179.40000108T700 S704T700-V702 PolarHBondContact O-N 3.45Å; V702-S704 PolarHBondContact O-N 2.76Å
703P38.2Very low36.1Very low83 Ų83119.9 Ų119.954%0.53973%0.726SS.*  trans-72.8126.9179.129-33000110.5
704S33.7Very low35.8Very low110 Ų110113.7 Ų113.777%0.76972%0.722SS**  trans-89.4110.7171-169.90000109.4V702V702-S704 PolarHBondContact O-N 2.76Å
705S36.1Very low35.7Very low100 Ų100112.6 Ų112.670%0.69973%0.732SS**  trans-110.983.1178.261.50000110.5Q707S705-Q707 PolarHBondContact O-N 3.4Å
706A38.1Very low35.5Very low91 Ų91112.6 Ų112.675%0.75274%0.736SS**  trans-80.3109.9171.300000109.7
707Q39.6Very low35.5Very low185 Ų185117.9 Ų117.986%0.86476%0.76SS**  trans-82.9112.4166.9-70-179.4-38.800108.4S705S705-Q707 PolarHBondContact O-N 3.4Å
708S36.1Very low35.7Very low120 Ų120123.3 Ų123.384%0.83977%0.77SS**  trans-72.6148.8160.645.50000109.7
709G35.4Very low35.4Very low77 Ų77120.4 Ų120.479%0.79476%0.764SS**  trans-139.5129.9176.900000110.1
710G31.3Very low35.5Very low70 Ų70122.5 Ų122.572%0.72278%0.779SS**  trans85.5141.2-167.700000112.1
711L40.1Very low35.4Very low174 Ų174123.1 Ų123.191%0.91178%0.783SS**  cis-134.4164.7-0.4-128.787.9000110.8A713L711-A713 PolarHBondContact O-N 2.94Å
712E34.6Very low35.8Very low186 Ų186120.9 Ų120.987%0.86978%0.777SS**  trans-61.3118.9171.3-76.9-7316100111.8
713A37.6Very low35.4Very low93 Ų93123.1 Ų123.177%0.76978%0.78SS**  trans-155128.816300000109.4L711L711-A713 PolarHBondContact O-N 2.94Å
714S32.6Very low35Very low129 Ų129128.4 Ų128.490%0.90279%0.789SS**  trans-78.9137.9-167.1-480000114.2
715G33.5Very low35.1Very low82 Ų82127.5 Ų127.585%0.84578%0.783SS**  trans109.361.5144.300000119.2
716S31.1Very low35.1Very low108 Ų108131.4 Ų131.476%0.75579%0.787SS**  trans-151.1150.2146.6-169.70000111.1
717L32.6Very low35Very low186 Ų186130.3 Ų130.397%0.97477%0.771SS**  trans-110.568.3-175.6-125.8164.4000109.8
718E37.6Very low34.8Very low166 Ų166125.4 Ų125.478%0.77675%0.754SS**  trans-125123.3-178.7-165.2165.2-15900110.8
719S30.5Very low35Very low93 Ų93123 Ų12365%0.6574%0.737SS**  trans-76.4142-17769.40000111.2V721S719-V721 PolarHBondContact O-N 2.87Å
720P37.7Very low34.9Very low121 Ų121122.4 Ų122.479%0.78673%0.731SS**  trans-62.7106.917825.8-34.4000110.8L722P720-L722 PolarHBondContact O-N 3.1Å
721V34.1Very low35.1Very low121 Ų121126.5 Ų126.573%0.73373%0.733SS**  trans-63.1123.8178.7176.60000109.3S719 E723S719-V721 PolarHBondContact O-N 2.87Å; V721-E723 PolarHBondContact O-N 3.27Å; V721-E723 VanDerWaalsContact O-N 3.11Å
722L39.1Very low35.2Very low117 Ų117124 Ų12461%0.61373%0.725SS**  trans-70.6105.9171.2-89.877.4000109.4P720 W724P720-L722 PolarHBondContact O-N 3.1Å; L722-W724 HydrophobicContact CB-CZ2 4.27Å; L722-W724 HydrophobicContact CD2-CH2 4.15Å; L722-W724 HydrophobicContact CD2-CZ2 3.84Å; L722-W724 PolarHBondContact O-N 2.69Å; L722-W724 PolarHBondContact O-NE1 3.22Å
723E33.3Very low35.3Very low174 Ų174122.7 Ų122.781%0.81372%0.723SS**  trans-78.8116.5171.2-164.2-173.3172.200110.6V721 S725V721-E723 PolarHBondContact O-N 3.27Å; V721-E723 VanDerWaalsContact O-N 3.11Å; E723-S725 PolarHBondContact O-N 2.97Å
724W30.8Very low35.3Very low193 Ų193121 Ų12173%0.73172%0.715SS**  trans-91.487.2-171.9-63.489.8000112.5L722 K726L722-W724 HydrophobicContact CB-CZ2 4.27Å; L722-W724 HydrophobicContact CD2-CH2 4.15Å; L722-W724 HydrophobicContact CD2-CZ2 3.84Å; L722-W724 PolarHBondContact O-N 2.69Å; L722-W724 PolarHBondContact O-NE1 3.22Å; W724-K726 PolarHBondContact O-N 2.97Å; W724-K726 VanDerWaalsContact O-N 3.12Å
725S34.7Very low35.6Very low92 Ų92119.5 Ų119.564%0.64372%0.72SS**  trans-65.2109.2177.3-44.90000112.7E723 V727E723-S725 PolarHBondContact O-N 2.97Å; S725-V727 PolarHBondContact O-N 3.44Å; S725-V727 VanDerWaalsContact O-N 3.16Å
726K36.6Very low35.8Very low182 Ų182124.5 Ų124.579%0.79172%0.721SS**  trans-70.8103.1177.1-179.4-178.9177179.20111.7W724 T728W724-K726 PolarHBondContact O-N 2.97Å; W724-K726 VanDerWaalsContact O-N 3.12Å; K726-T728 HydrophobicContact CG-CG2 4.36Å
727V35.5Very low36Very low67 Ų67127.4 Ų127.441%0.40672%0.723SS.*  trans-98.3102.3174.7-1740000110.7S725S725-V727 PolarHBondContact O-N 3.44Å; S725-V727 VanDerWaalsContact O-N 3.16Å
728T36.5Very low36.2Very low83 Ų83121.6 Ų121.651%0.50970%0.702SS.*PPolyproline II helixtrans-94.1120.7169.748.60000110.6K726K726-T728 HydrophobicContact CG-CG2 4.36Å
729S39.4Very low36.1Very low68 Ų68120.6 Ų120.648%0.47671%0.709SS.*PPolyproline II helixtrans-63.2141.5166.355.80000110.6
730G34.4Very low36.4Very low66 Ų66119.3 Ų119.368%0.6871%0.711SS**PPolyproline II helixtrans-63.8164.7-164.400000117.3
731M34.4Very low36.2Very low155 Ų155115.9 Ų115.976%0.76469%0.69SS**PPolyproline II helixtrans-75.2133-179.9-162.2173.27800111.4L733M731-L733 HydrophobicContact CE-CD1 3.84Å
732V41.7Very low36.2Very low122 Ų122116.6 Ų116.674%0.73968%0.683SS**PPolyproline II helixtrans-83118.8176.1178.60000109.8
733L36.9Very low36Very low159 Ų159114.1 Ų114.183%0.83268%0.675SS**  trans-109.6110.8171.3-140.881.2000108.9M731M731-L733 HydrophobicContact CE-CD1 3.84Å
734G39.3Very low36.1Very low58 Ų58111 Ų11160%0.59866%0.663SS**SBendtrans104.8127.9-178.100000113.7Q736G734-Q736 VanDerWaalsContact C-N 3.33Å; G734-Q736 PolarHBondContact O-N 2.85Å
735G38.4Very low36.4Very low97 Ų97104.2 Ų104.2100%165%0.645SS**SBendtrans-84.451.8-170.400000115.6
736Q36.5Very low36.3Very low186 Ų186106.9 Ų106.987%0.86965%0.651SS**  trans-141.879.4177.3-166.3174.710900112.3G734 A738G734-Q736 VanDerWaalsContact C-N 3.33Å; G734-Q736 PolarHBondContact O-N 2.85Å; Q736-A738 PolarHBondContact O-N 3.03Å
737E36Very low36.3Very low170 Ų170104 Ų10479%0.79464%0.644SS**  trans-79.3116.2171.4-171.6174.4-155.100110.3
738A36.9Very low36.2Very low64 Ų64110.6 Ų110.653%0.52966%0.662SS.*  trans-73.2128.8177.800000110.7Q736 G740Q736-A738 PolarHBondContact O-N 3.03Å; A738-G740 VanDerWaalsContact C-N 3.31Å; A738-G740 PolarHBondContact O-N 3.26Å
739P35.4Very low36.1Very low145 Ų145110.6 Ų110.694%0.94267%0.67SS**THydrogen-bonded Turntrans-68.177.4-176.6-23.235.2000114.6
740G36.8Very low35.7Very low66 Ų66115.4 Ų115.468%0.6868%0.678SS**THydrogen-bonded Turntrans162.8-10.9176.400000117.1A738A738-G740 VanDerWaalsContact C-N 3.31Å; A738-G740 PolarHBondContact O-N 3.26Å
741S33.7Very low35.6Very low49 Ų49119.3 Ų119.334%0.34368%0.683SS.*  trans-75.4149.8176.752.90000112.2
742F35.2Very low35.5Very low136 Ų136118.7 Ų118.760%0.59668%0.678SS**  trans-148.1132.6165.866-85.1000109.3L744F742-L744 HydrophobicContact CD2-CD1 4.42Å; F742-L744 HydrophobicContact CD2-CG 4.01Å; F742-L744 HydrophobicContact CE2-CD1 3.91Å; F742-L744 HydrophobicContact CE2-CG 4Å
743C33.8Very low35Very low64 Ų64117.5 Ų117.543%0.43268%0.681SS.*  trans-98.1121.8-179.1-64.20000110.4Y800C743-Y800 WeakPolarHBondContact SG-CE2 3.38Å
744L36.4Very low35Very low109 Ų109117.6 Ų117.657%0.57168%0.677SS**  trans-104.193.2169.6-69.9-179.7000110.3F742 L746F742-L744 HydrophobicContact CD2-CD1 4.42Å; F742-L744 HydrophobicContact CD2-CG 4.01Å; F742-L744 HydrophobicContact CE2-CD1 3.91Å; F742-L744 HydrophobicContact CE2-CG 4Å; L744-L746 PolarHBondContact O-N 3.33Å; L744-L746 VanDerWaalsContact O-N 3.12Å
745C37.1Very low34.6Very low51 Ų51120.5 Ų120.535%0.34568%0.684SS.*  trans-77.291173.1-57.50000110N747 C798C745-N747 PolarHBondContact O-N 3.28Å; C745-C798 VanDerWaalsContact SG-SG 3.67Å
746L32Very low34.6Very low147 Ų147123.2 Ų123.277%0.7768%0.675SS**  trans-85.795.4177.1-67.3178.5000111.2L744 R748L744-L746 PolarHBondContact O-N 3.33Å; L744-L746 VanDerWaalsContact O-N 3.12Å; L746-R748 VanDerWaalsContact C-N 3.34Å; L746-R748 PolarHBondContact O-N 2.76Å
747N36.2Very low34.6Very low123 Ų123120.5 Ų120.566%0.65867%0.666SS**  trans-68.588.3168.6-75.6-9.7000110.3C745 A749C745-N747 PolarHBondContact O-N 3.28Å; N747-A749 PolarHBondContact O-N 3.17Å
748R33.6Very low34.9Very low205 Ų205117.7 Ų117.777%0.77466%0.663SS**  trans-82.491.1172.6-169.3179.1-172.9-165.7-0.6109.6L746 W750L746-R748 VanDerWaalsContact C-N 3.34Å; L746-R748 PolarHBondContact O-N 2.76Å; R748-W750 PolarHBondContact O-N 2.95Å
749A34Very low34.9Very low83 Ų83121 Ų12169%0.68668%0.679SS**  trans-58.7130.3170.100000109.9N747N747-A749 PolarHBondContact O-N 3.17Å
750W30.5Very low35Very low168 Ų168117.3 Ų117.364%0.63667%0.667SS**  trans-116.790.8-178.1-169-66.9000109.2R748 H752R748-W750 PolarHBondContact O-N 2.95Å; W750-H752 AromaticContact CD1-CG 3.91Å; W750-H752 AromaticContact CE2-NE2 3.98Å; W750-H752 AromaticContact CZ2-NE2 3.92Å; W750-H752 AromaticContact NE1-CD2 3.18Å; W750-H752 PolarHBondContact NE1-CD2 2.84Å; W750-H752 AromaticContact NE1-CE1 3.81Å; W750-H752 AromaticContact NE1-CG 3.34Å; W750-H752 VanDerWaalsContact NE1-CG 3.34Å; W750-H752 AromaticContact NE1-ND1 3.74Å; W750-H752 AromaticContact NE1-NE2 3.46Å; W750-H752 PolarHBondContact NE1-NE2 3.49Å; W750-H752 PolarHBondContact O-N 2.78Å
751N32Very low35.1Very low148 Ų148123.5 Ų123.579%0.79168%0.68SS**  trans-87.784176.8-6710.5000109.3
752H33.8Very low35Very low142 Ų142125 Ų12566%0.65770%0.704SS**  trans-97.7100.9151.6-81.5-6.4000107.4W750 E754W750-H752 AromaticContact CD1-CG 3.91Å; W750-H752 AromaticContact CE2-NE2 3.98Å; W750-H752 AromaticContact CZ2-NE2 3.92Å; W750-H752 AromaticContact NE1-CD2 3.18Å; W750-H752 PolarHBondContact NE1-CD2 2.84Å; W750-H752 AromaticContact NE1-CE1 3.81Å; W750-H752 AromaticContact NE1-CG 3.34Å; W750-H752 VanDerWaalsContact NE1-CG 3.34Å; W750-H752 AromaticContact NE1-ND1 3.74Å; W750-H752 AromaticContact NE1-NE2 3.46Å; W750-H752 PolarHBondContact NE1-NE2 3.49Å; W750-H752 PolarHBondContact O-N 2.78Å; H752-E754 PolarHBondContact O-N 3.01Å; H752-E754 VanDerWaalsContact O-N 3.11Å
753A31.1Very low35.2Very low97 Ų97122.1 Ų122.180%0.80271%0.713SS**  trans-77.378.9159.600000107.6T755A753-T755 PolarHBondContact O-N 3.26Å
754E36.3Very low35.3Very low161 Ų161124.7 Ų124.775%0.75273%0.729SS**  trans-63.9122154.7-75.7-174.3131.600106.7H752 L756H752-E754 PolarHBondContact O-N 3.01Å; H752-E754 VanDerWaalsContact O-N 3.11Å; E754-L756 PolarHBondContact O-N 2.83Å
755T31.1Very low35.7Very low120 Ų120128.7 Ų128.774%0.73674%0.744SS**  trans-74.183174.6-56.80000107.5A753 D757A753-T755 PolarHBondContact O-N 3.26Å; T755-D757 VanDerWaalsContact C-N 3.29Å; T755-D757 PolarHBondContact O-N 3.02Å; T755-D757 VanDerWaalsContact O-N 3.07Å
756L38.4Very low35.8Very low153 Ų153134 Ų13480%0.80177%0.769SS**  trans-71.691.9163.5-84.7164.5000107.4E754E754-L756 PolarHBondContact O-N 2.83Å
757D37.2Very low36Very low129 Ų129130.5 Ų130.569%0.6977%0.768SS**  trans-50.9127.3167.3-77.2-52.9000109.1T755 P759T755-D757 VanDerWaalsContact C-N 3.29Å; T755-D757 PolarHBondContact O-N 3.02Å; T755-D757 VanDerWaalsContact O-N 3.07Å; D757-P759 WeakPolarHBondContact O-CD 3.41Å
758P40.6Very low35.8Very low112 Ų112135.3 Ų135.373%0.72778%0.777SS**  trans-67.6128.5179.627.2-32.8000109.1G760P758-G760 PolarHBondContact O-N 3.06Å
759P38.4Very low35.8Very low133 Ų133132.4 Ų132.486%0.86478%0.777SS**  trans-71.381.6174.529.2-34000109.8D757D757-P759 WeakPolarHBondContact O-CD 3.41Å
760G37.6Very low35.7Very low67 Ų67132.6 Ų132.669%0.69178%0.778SS**  trans-67.2140178.500000112.2P758 G762P758-G760 PolarHBondContact O-N 3.06Å; G760-G762 PolarHBondContact O-N 3.01Å
761M37.2Very low36Very low196 Ų196131.1 Ų131.197%0.96679%0.791SS**SBendtrans-51.4132.4177.5-85.969.9170.400113.4
762G33.1Very low36.1Very low82 Ų82130 Ų13085%0.84579%0.789SS**  trans138.892150.600000116.3G760G760-G762 PolarHBondContact O-N 3.01Å
763G39.1Very low36Very low75 Ų75130.8 Ų130.877%0.77380%0.797SS**  trans165.2112.1167.200000114.2
764P36.3Very low36.3Very low118 Ų118134.3 Ų134.377%0.76680%0.801SS**  trans-98.4122.117334.1-28000112.1
765Q45Very low35.9Very low192 Ų192132 Ų13290%0.89780%0.804SS**  trans-160.1147.3151.5-127.4147.3100.500112.8
766D37.7Very low36Very low164 Ų164131.2 Ų131.288%0.87781%0.809SS**  trans-65.1169.9177.9-55.5-93.3000113
767G36.7Very low35.5Very low72 Ų72129.6 Ų129.674%0.74281%0.811SS**  trans-167.3-34.2174.700000122.1
768R31.3Very low35.5Very low225 Ų225128.8 Ų128.885%0.84981%0.812SS**  trans65.4171.7175-136.4-168.6-73.2-100.8-3.6116.9
769D35.4Very low35Very low143 Ų143128.5 Ų128.577%0.76581%0.813SS**  trans62.9101.8159-54.4-29.9000120.8
770A30.7Very low34.8Very low87 Ų87130.7 Ų130.772%0.71982%0.816SS**  trans-104.1140.7160.400000110.7
771P37.3Very low34.4Very low137 Ų137130.9 Ų130.989%0.8982%0.818SS**  trans-77.9154.9177.231.6-34.4000112.9
772V34Very low34.1Very low126 Ų126127.6 Ų127.676%0.76481%0.814SS**  trans-119.4144.3-162.8167.30000113.1
773L32.2Very low34Very low158 Ų158131 Ų13183%0.82781%0.813SS**  trans9.4136.9159-57.8169.1000121
774L36.7Very low33.6Very low170 Ų170134.4 Ų134.489%0.8981%0.809SS**  trans-178.3100.1137.9-96.8163.2000107.2
775S27.5Very low33.5Very low114 Ų114137.1 Ų137.180%0.79782%0.815SS**  76.396.966.8-166.40000115.3
776A33.1Very low33Very low102 Ų102135.2 Ų135.284%0.84381%0.807SS**  trans-170.7109.515300000112.7
777S28.9Very low32.6Very low120 Ų120134.8 Ų134.884%0.83980%0.804SS**  trans-114.7-179.7163.6-54.80000107.9
778P36.2Very low32.4Very low112 Ų112138.9 Ų138.973%0.72781%0.808SS**  cis-143.9-1587.643.9-23000115.1
779S30.8Very low32.5Very low106 Ų106133.4 Ų133.474%0.74180%0.8SS**  trans82.6143.8155.179.50000119
780L33Very low32.4Very low178 Ų178132 Ų13293%0.93280%0.797SS**  cis-162.1126.9-32.6-152.790.6000107.9
781G30.1Very low32.3Very low71 Ų71138.3 Ų138.373%0.73280%0.802SS**  trans171.688.2177.700000118
782S31.8Very low31.8Very low127 Ų127142.5 Ų142.589%0.88880%0.802SS**  trans64.683.9166.2-53.20000117.3
783L29.7Very low32Very low154 Ų154143.9 Ų143.981%0.80680%0.804SS**  trans-25.5156.9152.4-88.756.2000115.6
784E31Very low32Very low147 Ų147142.1 Ų142.169%0.68780%0.802SS**  cis-178.3142.6-38.2-117.6172.3149.300106.1
785L33.4Very low31.6Very low174 Ų174146.2 Ų146.291%0.91181%0.806SS**SBendtrans-130.420.7-174.4-161.9111.5000112.8
786Q34.9Very low31.8Very low153 Ų153143.5 Ų143.572%0.71580%0.795SS**  trans-127.9-5.9-164-60.2-166.6100.200115.2L788 T789Q786-L788 PolarHBondContact O-N 2.95Å; Q786-T789 PolarHBondContact O-OG1 2.95Å
787D30.8Very low31.7Very low154 Ų154146.4 Ų146.482%0.82479%0.793SS**THydrogen-bonded Turntrans-93.920-172.1-133.936.9000114.8
788L32.5Very low31.8Very low159 Ų159144.4 Ų144.483%0.83278%0.779SS**THydrogen-bonded Turntrans-109.427.6166.4-89.5165.6000111.7Q786Q786-L788 PolarHBondContact O-N 2.95Å
789T32.4Very low31.9Very low110 Ų110144 Ų14468%0.67577%0.77SS**  trans-85.5120.7176.9-53.20000109.7Q786Q786-T789 PolarHBondContact O-OG1 2.95Å
790T32.6Very low31.9Very low113 Ų113146.4 Ų146.469%0.69376%0.763SS**SBendtrans82126.7178.1-25.90000116.2
791R28.3Very low32.5Very low219 Ų219142.9 Ų142.983%0.82675%0.745SS**SBendtrans77.7123.2174.7-43.4-177.1-167.4-146.8-0.2115.4
792Y28.2Very low33.3Very low225 Ų225142.5 Ų142.588%0.88273%0.726SS**  trans65.370.1171.5-55.9-75.6000119
793L36.9Very low34.2Very low156 Ų156141 Ų14182%0.81771%0.713SS**  trans-108.8119.7155-89.7142.1000109.8
794P32.5Very low35.4Very low121 Ų121139.9 Ų139.979%0.78670%0.702SS**  trans-64.3152.1-179.2-2535.3000114.5G796P794-G796 PolarHBondContact O-N 2.84Å
795R29.8Very low36.2Very low256 Ų256138 Ų13897%0.96669%0.693SS**SBendtrans-61.4124.8175.2-80179.1165-176.8-5111.7
796G31.6Very low37Very low56 Ų56131.5 Ų131.558%0.57766%0.664SS**  trans86103.6163.200000114.8P794 C798P794-G796 PolarHBondContact O-N 2.84Å; G796-C798 PolarHBondContact O-N 3.24Å
797M30.1Very low37.7Very low163 Ų163131.8 Ų131.880%0.80367%0.666SS**  trans-73.889.2170.9-67-162.4-54.300111.2I799M797-I799 PolarHBondContact O-N 2.89Å
798C30.4Very low38.6Very low79 Ų79132.1 Ų132.153%0.53466%0.662SS.*  trans-72.699162.3-69.50000109.2C745 G796 Y800C745-C798 VanDerWaalsContact SG-SG 3.67Å; G796-C798 PolarHBondContact O-N 3.24Å; C798-Y800 VanDerWaalsContact C-N 3.32Å; C798-Y800 PolarHBondContact O-N 3.28Å
799I38.1Very low39.3Very low104 Ų104129.7 Ų129.753%0.53365%0.649SS.*  trans-74.688174.5-59.1177.6000108.7M797 L801M797-I799 PolarHBondContact O-N 2.89Å; I799-L801 HydrophobicContact CG2-CD1 3.77Å; I799-L801 HydrophobicContact CG2-CG 3.82Å
800Y32.1Very low39.9Very low156 Ų156128.4 Ų128.461%0.61266%0.658SS**  trans-74136.6159.5-114.2-91.4000108.8C743 C798C743-Y800 WeakPolarHBondContact SG-CE2 3.38Å; C798-Y800 VanDerWaalsContact C-N 3.32Å; C798-Y800 PolarHBondContact O-N 3.28Å
801L44.4Very low40.5Very low104 Ų104126.8 Ų126.855%0.54565%0.648SS.*  trans-145.6102174.2-76.1170.2000108.1I799I799-L801 HydrophobicContact CG2-CD1 3.77Å; I799-L801 HydrophobicContact CG2-CG 3.82Å
802D47.5Very low41.2Very low62 Ų62119.3 Ų119.333%0.33263%0.629SS.*  trans-69.6127.7162.1-174.4-20.3000107.4K804 E805 A806D802-K804 PolarHBondContact O-N 3.2Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.46Å; D802-K804 PolarHBondContact OD1-N 3.2Å; D802-E805 HydrophobicContact CB-CB 4.41Å; D802-E805 HydrophobicContact CB-CG 3.95Å; D802-E805 PolarHBondContact N-OE2 3.24Å; D802-E805 PolarHBondContact O-N 3.27Å; D802-A806 PolarHBondContact O-N 3.31Å
803P51.8Low42.2Very low95 Ų95113 Ų11362%0.61762%0.618SS**THydrogen-bonded Turntrans-52.2-22.7170.820.7-33.3000114.1
804K54.1Low43.1Very low131 Ų131108.6 Ų108.657%0.5760%0.6SS**THydrogen-bonded Turntrans-72.7-39.9172.5-61.5174.3-172164.90113.7D802 A806 E807 H808D802-K804 PolarHBondContact O-N 3.2Å; D802-K804 WeakPolarHBondContact OD1-CB 3.47Å; D802-K804 WeakPolarHBondContact OD1-CG 3.46Å; D802-K804 PolarHBondContact OD1-N 3.2Å; K804-A806 PolarHBondContact O-N 3.13Å; K804-E807 WeakPolarHBondContact O-CA 3.49Å; K804-E807 WeakPolarHBondContact O-CB 3.49Å; K804-E807 PolarHBondContact O-N 3.17Å; K804-H808 PolarHBondContact O-CD2 3.33Å; K804-H808 PolarHBondContact O-N 2.88Å
805E48.8Very low44.1Very low108 Ų108106.7 Ų106.751%0.50558%0.583SS.*Hα-helixtrans-60.3-35.8176.8-69.9167.4150.500110.4D802 E807 H808 L809D802-E805 HydrophobicContact CB-CB 4.41Å; D802-E805 HydrophobicContact CB-CG 3.95Å; D802-E805 PolarHBondContact N-OE2 3.24Å; D802-E805 PolarHBondContact O-N 3.27Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.8Å; E805-H808 PolarHBondContact O-N 2.84Å; E805-L809 PolarHBondContact O-N 3.03Å
806A48.2Very low45.4Very low37 Ų3799.6 Ų99.631%0.30656%0.561SS.*Hα-helixtrans-71-12.5172.500000114.9D802 K804 S812D802-A806 PolarHBondContact O-N 3.31Å; K804-A806 PolarHBondContact O-N 3.13Å; A806-S812 WeakPolarHBondContact O-CB 3.37Å
807E50.6Low47.3Very low160 Ų160102 Ų10275%0.74856%0.56SS**Hα-helixtrans-92.9-30.2170.6-70.9-177.2169.500112.1K804 E805K804-E807 WeakPolarHBondContact O-CA 3.49Å; K804-E807 WeakPolarHBondContact O-CB 3.49Å; K804-E807 PolarHBondContact O-N 3.17Å; E805-E807 VanDerWaalsContact C-N 3.26Å; E805-E807 PolarHBondContact O-N 2.8Å
808H50.3Low49.3Very low161 Ų161103.2 Ų103.275%0.74556%0.555SS**Hα-helixtrans-70.7-31.1173.5-70.3-66.9000113K804 E805 G810K804-H808 PolarHBondContact O-CD2 3.33Å; K804-H808 PolarHBondContact O-N 2.88Å; E805-H808 PolarHBondContact O-N 2.84Å; H808-G810 PolarHBondContact O-N 2.87Å
809L47.2Very low51.3Low107 Ų107103.6 Ų103.656%0.5655%0.549SS*.SBendtrans-82.1105.2171.2-65.2175.2000110.5E805 T811 S812E805-L809 PolarHBondContact O-N 3.03Å; L809-T811 PolarHBondContact O-N 3.16Å; L809-S812 PolarHBondContact O-N 3.41Å
810G45.1Very low53.3Low83 Ų83103.3 Ų103.386%0.85654%0.544SS*.THydrogen-bonded Turntrans-61.28.1-175.600000117.4H808H808-G810 PolarHBondContact O-N 2.87Å
811T44.3Very low55.8Low80 Ų80101.8 Ų101.849%0.49154%0.543SS..THydrogen-bonded Turntrans-93.73174.653.60000113.5L809 S813 S814L809-T811 PolarHBondContact O-N 3.16Å; T811-S813 PolarHBondContact O-N 3.3Å; T811-S814 PolarHBondContact O-N 2.64Å; T811-S814 PolarHBondContact O-OG 2.77Å; T811-S814 VanDerWaalsContact O-OG 3.09Å
812S44Very low57.4Low61 Ų6199.5 Ų99.543%0.42754%0.539SS..Hα-helixtrans-37.3-36.3-172.264.10000117.2A806 L809 S814 H816A806-S812 WeakPolarHBondContact O-CB 3.37Å; L809-S812 PolarHBondContact O-N 3.41Å; S812-S814 VanDerWaalsContact C-N 3.32Å; S812-S814 PolarHBondContact O-N 2.76Å; S812-H816 VanDerWaalsContact O-CB 3.24Å; S812-H816 WeakPolarHBondContact O-CB 3.22Å; S812-H816 PolarHBondContact O-N 3.14Å
813S48.9Very low59.2Low94 Ų94101.5 Ų101.566%0.65755%0.546SS*.Hα-helixtrans-60.3-31.9177.970.70000115T811 L817T811-S813 PolarHBondContact O-N 3.3Å; S813-L817 WeakPolarHBondContact O-CG 3.41Å
814S55.1Low60.9Low63 Ų63102.6 Ų102.644%0.44155%0.546SS..Hα-helixtrans-87.6-42.2-179.267.40000112T811 S812 L817 R818T811-S814 PolarHBondContact O-N 2.64Å; T811-S814 PolarHBondContact O-OG 2.77Å; T811-S814 VanDerWaalsContact O-OG 3.09Å; S812-S814 VanDerWaalsContact C-N 3.32Å; S812-S814 PolarHBondContact O-N 2.76Å; S814-L817 PolarHBondContact O-N 3.33Å; S814-R818 PolarHBondContact O-N 3.09Å
815L53Low62.5Low81 Ų81102.2 Ų102.242%0.42455%0.546SS..Hα-helixtrans-64.6-40.2178.4-65.6177.1000111.8L817 R818 H819L815-L817 VanDerWaalsContact C-N 3.27Å; L815-L817 PolarHBondContact O-N 2.96Å; L815-R818 PolarHBondContact O-N 3.38Å; L815-H819 WeakPolarHBondContact O-CB 3.42Å; L815-H819 PolarHBondContact O-N 3.07Å
816H58.4Low64.1Low107 Ų10799.5 Ų99.550%0.49554%0.542SS..Hα-helixtrans-64.5-30.6177.5-167.871.2000113.1S812 K820S812-H816 VanDerWaalsContact O-CB 3.24Å; S812-H816 WeakPolarHBondContact O-CB 3.22Å; S812-H816 PolarHBondContact O-N 3.14Å; H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 3.37Å; H816-K820 WeakPolarHBondContact O-CG 3.45Å; H816-K820 PolarHBondContact O-N 2.85Å
817L70.9Confident66.2Low106 Ų106102.9 Ų102.956%0.55556%0.555SS**Hα-helixtrans-74.7-45.8172.8-70173.2000111.5S813 S814 L815 H819 K820 Q821S813-L817 WeakPolarHBondContact O-CG 3.41Å; S814-L817 PolarHBondContact O-N 3.33Å; L815-L817 VanDerWaalsContact C-N 3.27Å; L815-L817 PolarHBondContact O-N 2.96Å; L817-H819 VanDerWaalsContact C-N 3.35Å; L817-H819 PolarHBondContact O-N 3.04Å; L817-K820 PolarHBondContact O-N 2.89Å; L817-Q821 WeakPolarHBondContact O-CB 3.29Å; L817-Q821 PolarHBondContact O-N 3.29Å
818R72Confident68Low188 Ų18898.6 Ų98.671%0.70953%0.534SS*.Hα-helixtrans-57.5-45.1175-74.9-74-170.2160.82.3111.9S814 L815 Q821 A822S814-R818 PolarHBondContact O-N 3.09Å; L815-R818 PolarHBondContact O-N 3.38Å; R818-Q821 PolarHBondContact O-N 3.42Å; R818-A822 WeakPolarHBondContact O-CB 3.46Å; R818-A822 PolarHBondContact O-N 3.11Å
819H72.3Confident69.6Low87 Ų8794.4 Ų94.440%0.40352%0.52SS..Hα-helixtrans-60.4-48.2177.217989000112L815 L817 Q821 A822 Q823L815-H819 WeakPolarHBondContact O-CB 3.42Å; L815-H819 PolarHBondContact O-N 3.07Å; L817-H819 VanDerWaalsContact C-N 3.35Å; L817-H819 PolarHBondContact O-N 3.04Å; H819-Q821 VanDerWaalsContact C-N 3.34Å; H819-Q821 PolarHBondContact O-N 3.2Å; H819-A822 PolarHBondContact O-N 3.37Å; H819-Q823 WeakPolarHBondContact O-CB 3.24Å; H819-Q823 PolarHBondContact O-N 3.15Å
820K80Confident71.5Confident98 Ų9893 Ų9343%0.42652%0.516SS..Hα-helixtrans-63.6-37.2176.7-79.4174.4168.91700112.9H816 L817 Q823 L824H816-K820 WeakPolarHBondContact NE2-CE 3.38Å; H816-K820 PolarHBondContact NE2-NZ 3.37Å; H816-K820 WeakPolarHBondContact O-CG 3.45Å; H816-K820 PolarHBondContact O-N 2.85Å; L817-K820 PolarHBondContact O-N 2.89Å; K820-Q823 PolarHBondContact O-N 3.11Å; K820-L824 WeakPolarHBondContact O-CB 3.43Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.43Å; K820-L824 PolarHBondContact O-N 3.48Å
821Q84.5Confident73.6Confident125 Ų12591.7 Ų91.758%0.58450%0.498SS*.Hα-helixtrans-66.9-42.6176.1-170.6170.72.800111.6L817 R818 H819 L824 Q825L817-Q821 WeakPolarHBondContact O-CB 3.29Å; L817-Q821 PolarHBondContact O-N 3.29Å; R818-Q821 PolarHBondContact O-N 3.42Å; H819-Q821 VanDerWaalsContact C-N 3.34Å; H819-Q821 PolarHBondContact O-N 3.2Å; Q821-L824 PolarHBondContact O-N 3.33Å; Q821-Q825 WeakPolarHBondContact O-CB 3.4Å; Q821-Q825 PolarHBondContact O-N 2.95Å
822A77.8Confident75.7Confident56 Ų5692.8 Ų92.846%0.46350%0.495SS..Hα-helixtrans-62.8-41.3173.800000112.2R818 H819 Q825 A826R818-A822 WeakPolarHBondContact O-CB 3.46Å; R818-A822 PolarHBondContact O-N 3.11Å; H819-A822 PolarHBondContact O-N 3.37Å; A822-Q825 PolarHBondContact O-N 3.12Å; A822-A826 WeakPolarHBondContact O-CB 3.31Å; A822-A826 PolarHBondContact O-N 3.03Å
823Q85.4Confident77.9Confident103 Ų10392.6 Ų92.648%0.48149%0.492SS..Hα-helixtrans-62.4-44.3175.3-171.7-179.533.900112H819 K820 A826 L827H819-Q823 WeakPolarHBondContact O-CB 3.24Å; H819-Q823 PolarHBondContact O-N 3.15Å; K820-Q823 PolarHBondContact O-N 3.11Å; Q823-A826 PolarHBondContact O-N 2.95Å; Q823-L827 HydrophobicContact CG-CD1 4.49Å; Q823-L827 WeakPolarHBondContact O-CG 3.27Å; Q823-L827 PolarHBondContact O-N 3.16Å
824L87.1Confident80Confident119 Ų11992.6 Ų92.662%0.62348%0.484SS*.Hα-helixtrans-64.3-41175.3-73.4169.6000111.9K820 Q821 L827 E828K820-L824 WeakPolarHBondContact O-CB 3.43Å; K820-L824 VanDerWaalsContact O-CG 3.31Å; K820-L824 WeakPolarHBondContact O-CG 3.43Å; K820-L824 PolarHBondContact O-N 3.48Å; Q821-L824 PolarHBondContact O-N 3.33Å; L824-L827 PolarHBondContact O-N 3.2Å; L824-E828 WeakPolarHBondContact O-CB 3.45Å; L824-E828 PolarHBondContact O-N 3.46Å
825Q88.1Confident81.8Confident123 Ų12394 Ų9458%0.57548%0.482SS*.Hα-helixtrans-64-40.4177.1-173.8175-6.100112Q821 A822 E828 T829Q821-Q825 WeakPolarHBondContact O-CB 3.4Å; Q821-Q825 PolarHBondContact O-N 2.95Å; A822-Q825 PolarHBondContact O-N 3.12Å; Q825-E828 PolarHBondContact O-N 3.17Å; Q825-T829 PolarHBondContact O-N 2.79Å; Q825-T829 PolarHBondContact O-OG1 2.95Å
826A83.2Confident83.6Confident50 Ų5095.5 Ų95.541%0.41349%0.487SS..Hα-helixtrans-67.3-35.2175.300000112.9A822 Q823 T829 T830A822-A826 WeakPolarHBondContact O-CB 3.31Å; A822-A826 PolarHBondContact O-N 3.03Å; Q823-A826 PolarHBondContact O-N 2.95Å; A826-T829 PolarHBondContact O-OG1 2.75Å; A826-T829 VanDerWaalsContact O-OG1 3.07Å; A826-T830 WeakPolarHBondContact O-CB 3.36Å; A826-T830 PolarHBondContact O-N 3.09Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å
827L91.2Very high85.1Confident109 Ų10997.6 Ų97.657%0.57149%0.49SS*.Hα-helixtrans-68.6-37.9171.3-70.7169.4000111.5Q823 L824 A831Q823-L827 HydrophobicContact CG-CD1 4.49Å; Q823-L827 WeakPolarHBondContact O-CG 3.27Å; Q823-L827 PolarHBondContact O-N 3.16Å; L824-L827 PolarHBondContact O-N 3.2Å; L827-A831 WeakPolarHBondContact O-CB 3.47Å; L827-A831 PolarHBondContact O-N 3.24Å
828E88.3Confident86.3Confident69 Ų6996.1 Ų96.132%0.32249%0.485SS..Hα-helixtrans-68.1-42177.4-164.2-167.9163.300112.5R379 L824 Q825 A831 K832R379-E828 IonicContact CZ-OE1 2.91Å; R379-E828 IonicContact NE-OE1 3.61Å; R379-E828 IonicContact NH2-OE1 3.62Å; R379-E828 PolarHBondContact NH2-OE1 3.35Å; L824-E828 WeakPolarHBondContact O-CB 3.45Å; L824-E828 PolarHBondContact O-N 3.46Å; Q825-E828 PolarHBondContact O-N 3.17Å; E828-A831 PolarHBondContact O-N 2.77Å; E828-K832 VanDerWaalsContact CD-NZ 3.34Å; E828-K832 WeakPolarHBondContact O-CG 3.43Å; E828-K832 PolarHBondContact O-N 2.71Å; E828-K832 WeakPolarHBondContact OE1-CE 3.27Å; E828-K832 IonicContact OE1-NZ 2.72Å; E828-K832 PolarHBondContact OE1-NZ 2.89Å
829T85.7Confident87.2Confident73 Ų7390.2 Ų90.245%0.44847%0.468SS..Hα-helixtrans-64.6-43.1174.652.80000111.4Q825 A826 A831 K832 V833Q825-T829 PolarHBondContact O-N 2.79Å; Q825-T829 PolarHBondContact O-OG1 2.95Å; A826-T829 PolarHBondContact O-OG1 2.75Å; A826-T829 VanDerWaalsContact O-OG1 3.07Å; T829-A831 VanDerWaalsContact C-N 3.33Å; T829-A831 PolarHBondContact O-N 3.35Å; T829-K832 PolarHBondContact O-N 3.37Å; T829-V833 WeakPolarHBondContact O-CG2 3.44Å; T829-V833 PolarHBondContact O-N 2.88Å
830T86.5Confident88Confident78 Ų7889.3 Ų89.348%0.47947%0.472SS..Hα-helixtrans-59.5-43.8174.8-55.20000111.5A826 K832 V833 L834A826-T830 WeakPolarHBondContact O-CB 3.36Å; A826-T830 PolarHBondContact O-N 3.09Å; A826-T830 VanDerWaalsContact O-N 3.12Å; A826-T830 PolarHBondContact O-OG1 3.29Å; T830-K832 PolarHBondContact O-N 2.78Å; T830-V833 PolarHBondContact O-N 3.07Å; T830-L834 HydrophobicContact CG2-CD1 4.16Å; T830-L834 WeakPolarHBondContact O-CB 3.43Å; T830-L834 WeakPolarHBondContact O-CG 3.48Å; T830-L834 PolarHBondContact O-N 3.2Å
831A88.8Confident88.5Confident56 Ų5689.6 Ų89.646%0.46348%0.477SS..Hα-helixtrans-64.5-36.9176.700000112.9L827 E828 T829 K835L827-A831 WeakPolarHBondContact O-CB 3.47Å; L827-A831 PolarHBondContact O-N 3.24Å; E828-A831 PolarHBondContact O-N 2.77Å; T829-A831 VanDerWaalsContact C-N 3.33Å; T829-A831 PolarHBondContact O-N 3.35Å; A831-K835 PolarHBondContact O-N 2.92Å
832K88.3Confident88.8Confident102 Ų10285.7 Ų85.744%0.44346%0.462SS..Hα-helixtrans-64.5-46.8174.5-74.9166.7-178.9165.50112E828 T829 T830 L834 K835 Q836E828-K832 VanDerWaalsContact CD-NZ 3.34Å; E828-K832 WeakPolarHBondContact O-CG 3.43Å; E828-K832 PolarHBondContact O-N 2.71Å; E828-K832 WeakPolarHBondContact OE1-CE 3.27Å; E828-K832 IonicContact OE1-NZ 2.72Å; E828-K832 PolarHBondContact OE1-NZ 2.89Å; T829-K832 PolarHBondContact O-N 3.37Å; T830-K832 PolarHBondContact O-N 2.78Å; K832-L834 PolarHBondContact O-N 3.26Å; K832-K835 PolarHBondContact O-N 3.4Å; K832-Q836 WeakPolarHBondContact O-CG 3.38Å; K832-Q836 PolarHBondContact O-N 2.82Å
833V89.5Confident89.2Confident58 Ų5885.9 Ų85.935%0.35246%0.463SS..Hα-helixtrans-63.5-41.5177175.60000111T829 T830 Q836 R837T829-V833 WeakPolarHBondContact O-CG2 3.44Å; T829-V833 PolarHBondContact O-N 2.88Å; T830-V833 PolarHBondContact O-N 3.07Å; V833-Q836 PolarHBondContact O-N 3.19Å; V833-R837 WeakPolarHBondContact O-CG 3.33Å; V833-R837 PolarHBondContact O-N 3.16Å
834L93.6Very high89.3Confident94 Ų9488.6 Ų88.649%0.49247%0.474SS..Hα-helixtrans-62.5-40.9174-73172.7000112T830 K832 R837 V838T830-L834 HydrophobicContact CG2-CD1 4.16Å; T830-L834 WeakPolarHBondContact O-CB 3.43Å; T830-L834 WeakPolarHBondContact O-CG 3.48Å; T830-L834 PolarHBondContact O-N 3.2Å; K832-L834 PolarHBondContact O-N 3.26Å; L834-R837 PolarHBondContact O-N 2.84Å; L834-V838 WeakPolarHBondContact O-CG2 3.44Å; L834-V838 PolarHBondContact O-N 2.85Å
835K92.9Very high89.2Confident92 Ų9288.8 Ų88.840%0.448%0.475SS..Hα-helixtrans-61.3-50.3174.3-164.5-164.3-177.9-78.60111.4M372 A831 K832 R837 V838 D839M372-K835 WeakPolarHBondContact SD-CE 3.38Å; M372-K835 PolarHBondContact SD-NZ 3.48Å; A831-K835 PolarHBondContact O-N 2.92Å; K832-K835 PolarHBondContact O-N 3.4Å; K835-R837 PolarHBondContact O-N 3.39Å; K835-V838 PolarHBondContact O-N 3.25Å; K835-D839 IonicContact NZ-OD1 3.73Å; K835-D839 PolarHBondContact NZ-OD1 3.07Å; K835-D839 IonicContact NZ-OD2 2.72Å; K835-D839 PolarHBondContact NZ-OD2 2.99Å; K835-D839 VanDerWaalsContact O-CG 3.24Å; K835-D839 PolarHBondContact O-N 3.06Å
836Q91.3Very high88.9Confident112 Ų11288.8 Ų88.852%0.52348%0.475SS..Hα-helixtrans-57.7-37178.9-73.4175.3-58.500112.3K832 V833 S840K832-Q836 WeakPolarHBondContact O-CG 3.38Å; K832-Q836 PolarHBondContact O-N 2.82Å; V833-Q836 PolarHBondContact O-N 3.19Å; Q836-S840 WeakPolarHBondContact O-CB 3.49Å; Q836-S840 PolarHBondContact O-N 3.49Å; Q836-S840 PolarHBondContact O-OG 3.08Å
837R90.4Very high88.4Confident151 Ų15188.3 Ų88.357%0.5748%0.475SS*.Hα-helixtrans-65.9-42.7173-73.2179.665.9-175.90.8112.7V833 L834 K835 L841V833-R837 WeakPolarHBondContact O-CG 3.33Å; V833-R837 PolarHBondContact O-N 3.16Å; L834-R837 PolarHBondContact O-N 2.84Å; K835-R837 PolarHBondContact O-N 3.39Å; R837-L841 WeakPolarHBondContact O-CB 3.38Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.39Å; R837-L841 PolarHBondContact O-N 3.21Å
838V95Very high87.1Confident75 Ų7585.4 Ų85.446%0.45547%0.467SS..Hα-helixtrans-64.3-51.3175172.40000110.4L834 K835 S840 L841 T842L834-V838 WeakPolarHBondContact O-CG2 3.44Å; L834-V838 PolarHBondContact O-N 2.85Å; K835-V838 PolarHBondContact O-N 3.25Å; V838-S840 VanDerWaalsContact C-N 3.26Å; V838-S840 PolarHBondContact O-N 3.42Å; V838-L841 PolarHBondContact O-N 3.01Å; V838-L841 VanDerWaalsContact O-N 3.11Å; V838-T842 PolarHBondContact O-N 2.98Å; V838-T842 PolarHBondContact O-OG1 3.21Å; V838-T842 VanDerWaalsContact O-OG1 3.14Å
839D91.8Very high85.6Confident64 Ų6488.7 Ų88.734%0.34248%0.482SS..Hα-helixtrans-54.6-43.6178.5-62.3-28.2000110.9K835 A843K835-D839 IonicContact NZ-OD1 3.73Å; K835-D839 PolarHBondContact NZ-OD1 3.07Å; K835-D839 IonicContact NZ-OD2 2.72Å; K835-D839 PolarHBondContact NZ-OD2 2.99Å; K835-D839 VanDerWaalsContact O-CG 3.24Å; K835-D839 PolarHBondContact O-N 3.06Å; D839-A843 WeakPolarHBondContact O-CB 3.39Å; D839-A843 PolarHBondContact O-N 3.01Å
840S88.7Confident84.1Confident69 Ų6988.5 Ų88.548%0.48349%0.488SS..Hα-helixtrans-69.4-36178.4-63.80000113.7Q836 V838 K844Q836-S840 WeakPolarHBondContact O-CB 3.49Å; Q836-S840 PolarHBondContact O-N 3.49Å; Q836-S840 PolarHBondContact O-OG 3.08Å; V838-S840 VanDerWaalsContact C-N 3.26Å; V838-S840 PolarHBondContact O-N 3.42Å; S840-K844 WeakPolarHBondContact O-CG 3.48Å; S840-K844 PolarHBondContact O-N 3.39Å; S840-K844 VanDerWaalsContact O-N 3.12Å
841L90.8Very high82.5Confident103 Ų10391.3 Ų91.354%0.53950%0.499SS..Hα-helixtrans-72.7-39.8175.2-74.1168.7000111.3R837 V838 K844 L845R837-L841 WeakPolarHBondContact O-CB 3.38Å; R837-L841 VanDerWaalsContact O-CG 3.25Å; R837-L841 WeakPolarHBondContact O-CG 3.39Å; R837-L841 PolarHBondContact O-N 3.21Å; V838-L841 PolarHBondContact O-N 3.01Å; V838-L841 VanDerWaalsContact O-N 3.11Å; L841-K844 PolarHBondContact O-N 2.94Å; L841-L845 WeakPolarHBondContact O-CG 3.24Å; L841-L845 PolarHBondContact O-N 2.8Å
842T89.7Confident80.8Confident44 Ų4495.2 Ų95.227%0.2751%0.512SS..Hα-helixtrans-61.4-43.8173.3-60.70000111.2V838 K844 L845 Q846V838-T842 PolarHBondContact O-N 2.98Å; V838-T842 PolarHBondContact O-OG1 3.21Å; V838-T842 VanDerWaalsContact O-OG1 3.14Å; T842-K844 VanDerWaalsContact C-N 3.35Å; T842-K844 PolarHBondContact O-N 2.81Å; T842-L845 PolarHBondContact O-N 3.06Å; T842-Q846 HydrophobicContact CG2-CG 4.49Å; T842-Q846 WeakPolarHBondContact O-CG 3.46Å; T842-Q846 PolarHBondContact O-N 2.9Å
843A86Confident79.1Confident59 Ų5995.9 Ų95.949%0.48853%0.525SS..Hα-helixtrans-61.8-39.6174.800000112.7D839 G847D839-A843 WeakPolarHBondContact O-CB 3.39Å; D839-A843 PolarHBondContact O-N 3.01Å; A843-G847 PolarHBondContact O-N 2.87Å
844K88.4Confident77Confident160 Ų16099.3 Ų99.370%0.69655%0.546SS*.Hα-helixtrans-66.8-38.1175.1-77.1-172.7175.1-164.40113.2S840 L841 T842 A848S840-K844 WeakPolarHBondContact O-CG 3.48Å; S840-K844 PolarHBondContact O-N 3.39Å; S840-K844 VanDerWaalsContact O-N 3.12Å; L841-K844 PolarHBondContact O-N 2.94Å; T842-K844 VanDerWaalsContact C-N 3.35Å; T842-K844 PolarHBondContact O-N 2.81Å; K844-A848 PolarHBondContact O-N 2.84Å; K844-A848 VanDerWaalsContact O-N 3.14Å
845L85.7Confident74.4Confident123 Ų123105.6 Ų105.664%0.64456%0.563SS**Hα-helixtrans-66.9-47175.7-71.1168.5000111.3L841 T842 G847 A848 E849L841-L845 WeakPolarHBondContact O-CG 3.24Å; L841-L845 PolarHBondContact O-N 2.8Å; T842-L845 PolarHBondContact O-N 3.06Å; L845-G847 VanDerWaalsContact C-N 3.31Å; L845-G847 PolarHBondContact O-N 3.22Å; L845-A848 PolarHBondContact O-N 3.09Å; L845-A848 VanDerWaalsContact O-N 3.17Å; L845-E849 WeakPolarHBondContact O-CB 3.37Å; L845-E849 PolarHBondContact O-N 2.85Å
846Q81.7Confident71.6Confident123 Ų123108.2 Ų108.258%0.57558%0.582SS**Hα-helixtrans-64.4-34.3177.2-70.9177.5-27.600112.7T842 A850T842-Q846 HydrophobicContact CG2-CG 4.49Å; T842-Q846 WeakPolarHBondContact O-CG 3.46Å; T842-Q846 PolarHBondContact O-N 2.9Å; Q846-A850 WeakPolarHBondContact O-CB 3.39Å; Q846-A850 PolarHBondContact O-N 3.46Å
847G72.5Confident69.3Low40 Ų40108.3 Ų108.341%0.41259%0.592SS.*Hα-helixtrans-68.3-31.6173.700000113.9A843 L845A843-G847 PolarHBondContact O-N 2.87Å; L845-G847 VanDerWaalsContact C-N 3.31Å; L845-G847 PolarHBondContact O-N 3.22Å
848A63Low67Low49 Ų49105.1 Ų105.141%0.40560%0.597SS.*Hα-helixtrans-75.6-45.2173.900000111.7K844 L845 A850 L851 D852K844-A848 PolarHBondContact O-N 2.84Å; K844-A848 VanDerWaalsContact O-N 3.14Å; L845-A848 PolarHBondContact O-N 3.09Å; L845-A848 VanDerWaalsContact O-N 3.17Å; A848-A850 PolarHBondContact O-N 2.87Å; A848-L851 WeakPolarHBondContact O-CB 3.37Å; A848-L851 PolarHBondContact O-N 2.77Å; A848-D852 PolarHBondContact O-N 3.01Å
849E56.9Low64.6Low138 Ų138108.3 Ų108.365%0.64562%0.617SS**Hα-helixtrans-59.4-29.4178.4-167.3170.4-152.100112.4L845 T853L845-E849 WeakPolarHBondContact O-CB 3.37Å; L845-E849 PolarHBondContact O-N 2.85Å; E849-T853 PolarHBondContact O-OG1 3.44Å
850A54.1Low61.8Low69 Ų69108.8 Ų108.857%0.5764%0.637SS**THydrogen-bonded Turntrans-74.5-21.9173.200000114.8Q846 A848Q846-A850 WeakPolarHBondContact O-CB 3.39Å; Q846-A850 PolarHBondContact O-N 3.46Å; A848-A850 PolarHBondContact O-N 2.87Å
851L53.6Low59.5Low136 Ų136113.2 Ų113.271%0.71265%0.654SS**THydrogen-bonded Turntrans-85.5-36.5179.7-87.7160.6000112.6A848 T853A848-L851 WeakPolarHBondContact O-CB 3.37Å; A848-L851 PolarHBondContact O-N 2.77Å; L851-T853 PolarHBondContact O-N 3.3Å
852D53.9Low57Low139 Ų139115.8 Ų115.874%0.74367%0.668SS**THydrogen-bonded Turntrans-70.1-10.7-177.9-78.2-36.2000114.1A848A848-D852 PolarHBondContact O-N 3.01Å
853T51.3Low54.5Low116 Ų116124.3 Ų124.371%0.71270%0.695SS**THydrogen-bonded Turntrans-86.1-12-176.3-44.40000113.7E849 L851E849-T853 PolarHBondContact O-OG1 3.44Å; L851-T853 PolarHBondContact O-N 3.3Å
854V45.5Very low52.1Low130 Ų130126.4 Ų126.479%0.78871%0.706SS**  trans-111.768.5-176.6-168.80000111.2
855R39.2Very low49.1Very low225 Ų225124.7 Ų124.785%0.84971%0.712SS**  trans-106.782.7175.5-174.5-171.5146.7179.8-5.8111.6
856D35.1Very low46.7Very low148 Ų148124.6 Ų124.679%0.79172%0.719SS**  trans-135.799.7160.9-167.47.1000109.9
857P43Very low44.4Very low114 Ų114127.4 Ų127.474%0.7473%0.732SS**  trans-10889.2-168.537.3-29.6000113.3
858A41.6Very low42.5Very low83 Ų83130.4 Ų130.469%0.68675%0.747SS**  trans-150.2141.5166.900000112.1
859V43.3Very low41.3Very low143 Ų143135 Ų13587%0.86776%0.764SS**  trans54.5100.6172.4-164.40000114.2
860G34.4Very low40.3Very low73 Ų73134.7 Ų134.775%0.75377%0.774SS**  cis94.271.429.800000110.9
861L40.4Very low39.4Very low163 Ų163135.9 Ų135.985%0.85378%0.783SS**  trans-152.2134.3170.4-115.1169.1000113.1
862L37.9Very low38.5Very low157 Ų157133.7 Ų133.782%0.82279%0.785SS**  trans-55.1129.1-175.4-61152.2000115.5
863R36.7Very low38.2Very low223 Ų223133 Ų13384%0.84279%0.789SS**  177.6101.5128.3-96.8158.370.6164.62.2109.7
864S35.2Very low37.2Very low103 Ų103133.9 Ų133.972%0.7279%0.794SS**  50.6116.37873.50000114.3
865C26Very low36.8Very low123 Ų123135.6 Ų135.683%0.83180%0.797SS**  trans-70.2135.2176.8-56.30000111.4
866P35.5Very low36.6Very low121 Ų121129.2 Ų129.279%0.78679%0.793SS**  trans-89.5112.715432.3-25.7000109.6
867H34.2Very low36.3Very low182 Ų182128.3 Ų128.384%0.84379%0.793SS**  trans-71.1168.2147.7-80.6-64.1000109.2
868S32Very low36.3Very low104 Ų104128.5 Ų128.573%0.72779%0.794SS**SBendtrans82.5109.8177.3-155.20000116.6
869L38.4Very low35.8Very low146 Ų146130.1 Ų130.176%0.76480%0.796SS**  trans48.3121.6139.8-58.3174000120.1A871L869-A871 PolarHBondContact O-N 2.83Å; L869-A871 VanDerWaalsContact O-N 3.11Å
870P35.9Very low35.5Very low130 Ų130131.4 Ų131.484%0.84480%0.797SS**  trans-67.2105.6146.830.3-30.1000108.4A872P870-A872 PolarHBondContact O-N 2.87Å
871A34.2Very low35.6Very low94 Ų94131.7 Ų131.778%0.77779%0.792SS**PPolyproline II helixtrans-61.1130172.100000109.8L869L869-A871 PolarHBondContact O-N 2.83Å; L869-A871 VanDerWaalsContact O-N 3.11Å
872A35.2Very low35.2Very low91 Ų91130.6 Ų130.675%0.75279%0.792SS**PPolyproline II helixtrans-67.1133.4-174.400000111.6P870P870-A872 PolarHBondContact O-N 2.87Å
873P47.1Very low35.3Very low125 Ų125128.7 Ų128.781%0.81279%0.789SS**PPolyproline II helixtrans-69.1132.9169.629.5-33.1000110L875P873-L875 PolarHBondContact O-N 2.91Å
874T30.8Very low35.3Very low134 Ų134122.9 Ų122.982%0.82279%0.789SS**PPolyproline II helixtrans-51.1130.7174.7-50.80000112.6
875L35.9Very low35Very low165 Ų165123.6 Ų123.686%0.86479%0.793SS**  trans178147.4138.2-98159000113.8P873P873-L875 PolarHBondContact O-N 2.91Å
876A35.3Very low35.8Very low92 Ų92123.9 Ų123.976%0.7679%0.793SS**  trans59.2103.6156.900000121.3
877T29.6Very low35.6Very low128 Ų128121.7 Ų121.779%0.78579%0.792SS**  trans-74153.8157.4-9.10000112.3
878P41.7Very low35.7Very low119 Ų119117.7 Ų117.777%0.77379%0.79SS**  -135.6130.5112.335.3-24.8000112.1
879T32.6Very low35.9Very low116 Ų116121 Ų12171%0.71280%0.799SS**  89.397.162.2-61.20000114.1
880L36.1Very low36.2Very low171 Ų171117.7 Ų117.790%0.89580%0.8SS**  trans-147.5102.9138.1-91.1125.1000104.6
881A36.1Very low36.7Very low78 Ų78117.3 Ų117.365%0.64580%0.798SS**  68.6121.288.100000112.4
882T33.7Very low36.8Very low140 Ų140118.6 Ų118.686%0.85979%0.792SS**  cis-156.1164.95.240000110.3
883P39.9Very low36.9Very low118 Ų118125.1 Ų125.177%0.76680%0.797SS**  trans-105.5169.3-157.440.6-38000116.9
884A35.2Very low36.4Very low100 Ų100122.4 Ų122.483%0.82679%0.792SS**  trans-146.4155.3155.400000110.8
885C29.7Very low36.8Very low119 Ų119128 Ų12880%0.80480%0.798SS**  trans-124.2-169.3-171.3-63.20000110.4
886P42.5Very low36.7Very low129 Ų129124 Ų12484%0.83880%0.796SS**  -134.3173.2-61.437.8-23.3000114.2
887G32.2Very low36.5Very low74 Ų74124.2 Ų124.276%0.76380%0.799SS**  trans104174.813800000120.2
888A34.7Very low37Very low98 Ų98124.5 Ų124.581%0.8180%0.803SS**  trans73.6143.2-17500000117.7
889L37.6Very low36.8Very low173 Ų173122.2 Ų122.291%0.90680%0.801SS**  cis178.173.3-44.1-102.4168.1000109
890G44.6Very low36.9Very low77 Ų77126.3 Ų126.379%0.79481%0.812SS**  trans62.9-162.2161.800000118.7
891P45.3Very low36.9Very low122 Ų122128.9 Ų128.979%0.79281%0.81SS**  cis-141.3168.5-11.642.8-26.8000117.1
892N36.8Very low37Very low122 Ų122130.5 Ų130.565%0.65281%0.812SS**  trans84.2152.6143.8-145.42.8000121.7
893W38Very low37.2Very low227 Ų227128.5 Ų128.586%0.8680%0.803SS**  trans64.8124.8172.8-48.1109.2000118.4
894G35.8Very low37.2Very low69 Ų69131 Ų13171%0.71181%0.807SS**  cis158.9134.8-15.800000115.7
895R39.1Very low37.2Very low251 Ų251134.6 Ų134.695%0.94781%0.806SS**  trans62.7114.9153-171.4-168-58.1-84.3-0.6119.1
896G33.8Very low37.5Very low80 Ų80133.8 Ų133.883%0.82580%0.8SS**  trans121.9108.5134.100000117.5
897A32.1Very low37.2Very low98 Ų98134.9 Ų134.981%0.8179%0.794SS**  trans-130.8169.8155.300000107.7
898P39.8Very low37.5Very low134 Ų134137.2 Ų137.287%0.8780%0.795SS**  cis-117.6170.9-13.739.1-26.9000112.2
899G37Very low37.6Very low71 Ų71139.1 Ų139.173%0.73279%0.791SS**  trans-177.494.7171.500000113.8
900E35.5Very low37.7Very low201 Ų201139 Ų13994%0.93979%0.791SS**  trans-113.8125.7168.4-163.5162.2-136.700108.5
901W35.8Very low37.4Very low225 Ų225141.1 Ų141.185%0.85279%0.79SS**  trans-109.8119.6-166.3-96.853.2000109.7
902V38.3Very low37Very low113 Ų113141 Ų14169%0.68579%0.789SS**  92.8148.794.31630000113.7
903S38.3Very low37Very low97 Ų97141.1 Ų141.168%0.67879%0.794SS**  trans86.3131.7175.485.10000115.5
904M39Very low36.9Very low172 Ų172139.8 Ų139.885%0.84779%0.791SS**  cis-130.7156.11.9-79.6-60.6-178.100114.3
905Q35.3Very low36.9Very low174 Ų174144.9 Ų144.981%0.81379%0.794SS**  trans-18.8147.6176.1-68.1-73.212.200122
906P35.5Very low37Very low103 Ų103139.6 Ų139.667%0.66978%0.783SS**  trans-113.1-174.5177.243.8-35000115.8
907Q37.1Very low37.2Very low152 Ų152142.9 Ų142.971%0.7178%0.782SS**  trans77.9156.2165.6-76.9-137.932.300118
908P37.6Very low37.3Very low122 Ų122141.7 Ų141.779%0.79278%0.78SS**  cis-111.8174.814.741.1-32.1000117.4
909L37.4Very low37Very low139 Ų139144.1 Ų144.173%0.72878%0.779SS**  trans-95.1142.4-171-63.7153.2000113.4
910L39.6Very low36.8Very low171 Ų171146.5 Ų146.590%0.89578%0.78SS**  trans-139.8157.3155.1-77.9-178.2000110.4
911P38.2Very low36.8Very low120 Ų120143.3 Ų143.378%0.77977%0.768SS**  trans-87.8163.9-148.5-13.431.6000116.8
912P36.8Very low36.9Very low120 Ų120138.1 Ų138.178%0.77977%0.766SS**  trans-98.5144.9-170.736.9-33.9000115.2
913T36.6Very low36.9Very low124 Ų124143.8 Ų143.876%0.76178%0.776SS**  trans-142.9102.3156.842.60000111.5
914Y36Very low36.8Very low200 Ų200141.5 Ų141.578%0.78477%0.767SS**  trans55107.1154.2-57.8-84.9000120.5
915F36.7Very low36.6Very low175 Ų175139.6 Ų139.677%0.76877%0.767SS**  trans36.2109.5146.4-54.3-83.4000119
916L41.3Very low36.4Very low140 Ų140135.5 Ų135.573%0.73376%0.758SS**  65.8110.879.6-77.7165000114.5
917D36.4Very low36.5Very low150 Ų150140.9 Ų140.980%0.80277%0.766SS**  trans34134.5137.3-53.2-31.1000119.3
918G34.1Very low36.8Very low73 Ų73142.2 Ų142.275%0.75377%0.772SS**  cis105.9127.743.400000107.8
919E34.4Very low36.8Very low185 Ų185144 Ų14486%0.86477%0.769SS**  cis-134.3167.511.2-60.8176.191.700112.3
920T32.2Very low36.7Very low121 Ų121145.9 Ų145.974%0.74277%0.774SS**  trans17.2119.4151-49.20000120.2
921L36.7Very low36.5Very low134 Ų134147.3 Ų147.370%0.70278%0.777SS**  -171.691.9128.8-105.7171.2000113W923L921-W923 PolarHBondContact O-N 3.15Å; L921-W923 VanDerWaalsContact O-N 3.17Å
922S37.2Very low36.4Very low115 Ų115147.4 Ų147.480%0.80478%0.78SS**  trans-79.992175.455.90000112G924S922-G924 VanDerWaalsContact C-N 3.26Å; S922-G924 PolarHBondContact O-N 3.38Å
923W38.5Very low36.4Very low233 Ų233148.7 Ų148.788%0.88379%0.785SS**  trans-74.468.2179.3-8284.1000113.9L921L921-W923 PolarHBondContact O-N 3.15Å; L921-W923 VanDerWaalsContact O-N 3.17Å
924G37Very low36.4Very low49 Ų49148.1 Ų148.151%0.50579%0.787SS.*SBendtrans-104148.1159.500000110.7S922 S926S922-G924 VanDerWaalsContact C-N 3.26Å; S922-G924 PolarHBondContact O-N 3.38Å; G924-S926 PolarHBondContact O-N 3.07Å
925P33.4Very low36.3Very low131 Ų131143.8 Ų143.885%0.85178%0.783SS**  trans-76.364.2-179.732.6-36.2000112.3
926S31.3Very low36.3Very low89 Ų89147.2 Ų147.262%0.62279%0.791SS**  trans-110.869.1-177.7179.30000111.2G924G924-S926 PolarHBondContact O-N 3.07Å
927W36.9Very low36Very low216 Ų216145.2 Ų145.282%0.81879%0.794SS**  trans-108.15.4-179.861.1-90.9000114.7
928E44.2Very low35.9Very low179 Ų179147.3 Ų147.384%0.83680%0.799SS**SBendtrans-103.712.8174.3-68-167.9118.800113.7
929Q37.4Very low35.9Very low159 Ų159149.5 Ų149.574%0.74380%0.801SS**SBendtrans-138.3132.5179.1-14516811.500112.4
930Q35.2Very low36Very low179 Ų179149.7 Ų149.784%0.83680%0.802SS**  trans62.686.2176.4-61.6-167.2-18.400119.2
931Q36.1Very low36.2Very low202 Ų202149.6 Ų149.694%0.94481%0.807SS**  trans-147.377144.9-78.6-155.7-8.200112.4
932S34.9Very low36.4Very low121 Ų121153.2 Ų153.285%0.84682%0.817SS**  trans-167.343.7165.253.50000114.2
933V38.3Very low36.8Very low147 Ų147153.4 Ų153.489%0.89182%0.815SS**  trans-105.2110.3167.6-178.30000108.8
934S35.2Very low36.8Very low113 Ų113154 Ų15479%0.7982%0.817SS**  trans-126131.5170.1-172.60000108.4
935P35Very low36.9Very low109 Ų109154.7 Ų154.771%0.70882%0.824SS**  trans-93.3129.7-161.233.6-34.6000114.2
936R37.4Very low37.1Very low246 Ų246158.1 Ų158.193%0.92883%0.826SS**  trans179.4164.9139.2-100.5156.7-166.3-142.31.6112.9
937A34.7Very low38.2Very low98 Ų98159.1 Ų159.181%0.8183%0.83SS**  trans66.9104.9173.500000116.8
938H32.9Very low38.4Very low195 Ų195156.4 Ų156.490%0.90383%0.827SS**  trans-71142.4159.3-76.9-96.6000110.4
939C34.4Very low38.2Very low119 Ų119156.8 Ų156.880%0.80483%0.828SS**  trans-126.5103.8155.7-790000110.1
940E36.2Very low38.3Very low189 Ų189152.7 Ų152.788%0.88383%0.829SS**  trans46.7128.3138.7-55.5-174.6152.400121.5
941S37Very low38.5Very low119 Ų119152.9 Ų152.983%0.83283%0.83SS**  trans-145.699.6149.5480000113.9
942K41.5Very low38.4Very low210 Ų210148.5 Ų148.591%0.91382%0.816SS**  trans75158.8151-80.4-168.9170.6-179.80119.9
943P44.4Very low38.3Very low118 Ų118149.8 Ų149.877%0.76681%0.814SS**  trans-135.4179.3-132.945.2-30.2000116.6
944R38.8Very low38Very low247 Ų247148 Ų14893%0.93280%0.803SS**  trans-161.9138.6163.2-171.6158-76.1-110.7-1.9113.9
945G40.7Very low37.9Very low62 Ų62150.1 Ų150.164%0.63980%0.798SS**  trans93.7111.6173.600000113.5
946F36.5Very low37.9Very low203 Ų203151.5 Ų151.589%0.8981%0.807SS**  cis74.9139.142.4-73.5-72.4000115.7
947P54.2Low37.8Very low111 Ų111145.1 Ų145.172%0.72179%0.791SS**  cis-104.6-150.3-4725-3.1000108.4
948E40.7Very low37.8Very low159 Ų159149.1 Ų149.174%0.74379%0.79SS**  cis-164.5175.822.2-163.8148.1-141.200110.1
949E41.1Very low37.9Very low186 Ų186149 Ų14987%0.86978%0.782SS**  trans-10148.1175.6-61173.1144.900121.2
950G39.5Very low38.1Very low74 Ų74151 Ų15176%0.76378%0.784SS**  cis168.1168.3-1.100000114.1
951H38.4Very low38.2Very low183 Ų183148.2 Ų148.285%0.84777%0.771SS**  trans61.8108.9159.6-121.5-116.4000122.9
952V34.4Very low38.2Very low110 Ų110154.5 Ų154.567%0.66778%0.776SS**  66.3101.4125.7176.80000121.3
953D32.3Very low38Very low147 Ų147147.5 Ų147.579%0.78676%0.763SS**  73.6161.5121.5-153.515.6000122.2
954V33.3Very low37.7Very low111 Ų111148.9 Ų148.967%0.67377%0.769SS**  trans67.691165.6-1730000118.6
955K33.2Very low37.5Very low157 Ų157141.3 Ų141.368%0.68376%0.76SS**  trans141.7135.5132.3-91.7174.6162.9-155.30115.5D957K955-D957 HydrophobicContact CB-CB 4.4Å; K955-D957 HydrophobicContact CD-CB 4.31Å; K955-D957 WeakPolarHBondContact CE-OD2 3.33Å; K955-D957 IonicContact NZ-OD2 3.61Å; K955-D957 PolarHBondContact NZ-OD2 2.85Å
956P34.5Very low37.9Very low137 Ų137143 Ų14389%0.8976%0.76SS**  trans-93.497.6150.234-25.7000110.2
957D34.1Very low37.8Very low112 Ų112142.2 Ų142.260%0.59976%0.756SS**  trans-117.6157.5-178.9-141.7-36.2000113.2K955K955-D957 HydrophobicContact CB-CB 4.4Å; K955-D957 HydrophobicContact CD-CB 4.31Å; K955-D957 WeakPolarHBondContact CE-OD2 3.33Å; K955-D957 IonicContact NZ-OD2 3.61Å; K955-D957 PolarHBondContact NZ-OD2 2.85Å
958K35.2Very low37.1Very low183 Ų183145.4 Ų145.480%0.79676%0.761SS**  trans-115.7127-168.2-61.8174.7-178.1174.20112.9
959R35Very low36.7Very low193 Ų193142 Ų14273%0.72876%0.76SS**  trans-170.3158.5154.4-92.9129.8-154.6-92.118.2107.8Q961R959-Q961 HydrophobicContact CG-CG 3.96Å; R959-Q961 VanDerWaalsContact NH1-OE1 3.07Å
960L39.8Very low36.6Very low160 Ų160141.4 Ų141.484%0.83876%0.762SS**  cis-117.6147.311.6-60.5154.8000109.2
961Q38.5Very low36.2Very low130 Ų130143.2 Ų143.261%0.60776%0.763SS**  cis77.199.732.2-65.9-165.3-25.800116.8R959R959-Q961 HydrophobicContact CG-CG 3.96Å; R959-Q961 VanDerWaalsContact NH1-OE1 3.07Å
962R36.9Very low36.3Very low252 Ų252139.9 Ų139.995%0.95176%0.758SS**  -175125.9119-174.7168.8-69.5-131.80.6110
963G36.2Very low36Very low62 Ų62139.9 Ų139.964%0.63976%0.762SS**  cis170.3-167.1-7.700000112.7
964V37.8Very low35.9Very low148 Ų148137.7 Ų137.790%0.89777%0.765SS**  trans71.3127165.5-167.90000116.1
965A35.2Very low35.7Very low88 Ų88136.1 Ų136.173%0.72777%0.772SS**  cis-156.6165.2-17.100000111
966P48.8Very low35.5Very low98 Ų98134.4 Ų134.464%0.63678%0.779SS**  trans-130.4-153.6-164.139.8-19.8000115
967F35.8Very low35.4Very low186 Ų186131.8 Ų131.882%0.81676%0.764SS**  trans87.9143.4168.5-60.1-61.4000116.9
968Q39Very low35.2Very low177 Ų177137.2 Ų137.283%0.82778%0.778SS**  cis-137.4138.2-1.5-62.1-169.733.300109
969A32.9Very low35.2Very low88 Ų88133.3 Ų133.373%0.72778%0.78SS**  8616582.400000116.6
970L37.7Very low35Very low173 Ų173127.5 Ų127.591%0.90678%0.78SS**  trans79.796.5176.8-55.2-179.4000119.5
971S30.3Very low34.7Very low112 Ų112126.4 Ų126.478%0.78378%0.782SS**  trans-78.9174.7142.3-67.50000109.2
972P40.7Very low34.4Very low113 Ų113125 Ų12573%0.73479%0.793SS**  cis-154.1-171.229.746.2-24.5000119.3
973S28.6Very low34.1Very low110 Ų110119 Ų11977%0.76979%0.785SS**  trans76.3119.7142.6-68.10000123.2
974A29.9Very low34.1Very low101 Ų101124.1 Ų124.184%0.83580%0.796SS**  73.4135.8124.600000122.1
975G30.4Very low33.7Very low79 Ų79124.9 Ų124.981%0.81479%0.79SS**  trans81.7153.5168.800000114.6
976S29.2Very low34.2Very low121 Ų121125.5 Ų125.585%0.84679%0.786SS**  cis-150.5171.8-15.6-162.90000109.6
977S30.5Very low33.6Very low82 Ų82128 Ų12857%0.57379%0.793SS**  trans-83.1-179.7-175.848.40000114.4
978Y30.6Very low33.6Very low225 Ų225130.2 Ų130.288%0.88280%0.796SS**  trans75.6140.5179.1-50.7-82.9000114.6
979A36.3Very low33.6Very low102 Ų102124.9 Ų124.984%0.84379%0.788SS**  cis-133.4177.920.900000114.6
980G29.4Very low33.7Very low70 Ų70125.6 Ų125.672%0.72279%0.788SS**  trans-82.8-179.5-176.400000115.9
981P34.5Very low33.7Very low137 Ų137124.7 Ų124.789%0.8978%0.783SS**  trans-85156.3-16834.4-36.7000114.4
982A30.8Very low34.1Very low102 Ų102122 Ų12284%0.84377%0.773SS**  trans-122.6123.6170.900000112.4
983T30.8Very low34.1Very low126 Ų126124.2 Ų124.277%0.77378%0.778SS**  trans-41148.9166.7-45.70000116.1
984L35.8Very low34.4Very low168 Ų168126 Ų12688%0.8877%0.774SS**  trans171.2108.4137-92.7168.3000107.1
985H31Very low34.4Very low164 Ų164130.3 Ų130.376%0.75978%0.777SS**  cis120.1134.843.8-170.3-84.5000108
986P45.5Very low34.9Very low101 Ų101131.6 Ų131.666%0.65677%0.769SS**  trans-102.7-178.3-164.640.6-38.3000115.2
987I36.7Very low35.3Very low151 Ų151131.5 Ų131.577%0.77477%0.765SS**  trans-134.6126.8176.1-77.8179.2000110.9
988W35.9Very low35.5Very low233 Ų233133.3 Ų133.388%0.88378%0.778SS**  trans31135158.2-86.2-97.8000122.6
989G37.7Very low35.6Very low64 Ų64129.2 Ų129.266%0.6678%0.776SS**  cis157.8158.8-1200000116.5
990S35Very low35.4Very low103 Ų103128 Ų12872%0.7277%0.774SS**  trans69.4149.1148.6-57.90000119.8
991L37.7Very low35.6Very low155 Ų155128.6 Ų128.681%0.81278%0.78SS**  cis-165152.6-8.2-114.5162.7000106.3L993L991-L993 HydrophobicContact CD2-CD1 4.25Å
992G39.8Very low35.5Very low55 Ų55127.1 Ų127.157%0.56778%0.779SS**  cis-151.3164.2-600000109
993L39.4Very low35.6Very low159 Ų159130 Ų13083%0.83278%0.781SS**  58.5132.689.8-71.2159.9000113.9L991L991-L993 HydrophobicContact CD2-CD1 4.25Å
994E35.6Very low35.5Very low147 Ų147129.4 Ų129.469%0.68778%0.782SS**  cis-143.6140.323.6-161.5-159.9156.700114T996E994-T996 HydrophobicContact CG-CG2 4.17Å; E994-T996 WeakPolarHBondContact OE1-CG2 3.31Å; E994-T996 PolarHBondContact OE1-OG1 3.02Å
995E29.7Very low35.3Very low193 Ų193128.3 Ų128.390%0.90278%0.781SS**  trans-148.4128.8142.2-169.1170.8-136.700107.5
996T41.6Very low35.4Very low106 Ų106124 Ų12465%0.6577%0.774SS**  trans-106.2150.1-170.734.20000113.1E994E994-T996 HydrophobicContact CG-CG2 4.17Å; E994-T996 WeakPolarHBondContact OE1-CG2 3.31Å; E994-T996 PolarHBondContact OE1-OG1 3.02Å
997P37.3Very low34.7Very low118 Ų118125.6 Ų125.677%0.76679%0.785SS**  trans-115.9169.7-141.740.6-31.7000117.3
998S34.4Very low34.3Very low121 Ų121124.1 Ų124.185%0.84679%0.786SS**  trans-44.7138176.2176.40000116.8
999V33.7Very low34.3Very low138 Ų138119.5 Ų119.584%0.83678%0.784SS**  trans-138.8130.11621760000111
1000G31.9Very low34.4Very low77 Ų77122.3 Ų122.379%0.79479%0.791SS**  trans61.9110.1146.100000119.8
1001G33.7Very low34.2Very low83 Ų83128.9 Ų128.986%0.85680%0.8SS**  trans163.478.516700000113.7
1002A30.6Very low33.9Very low105 Ų105126.8 Ų126.887%0.86880%0.798SS**  trans-86.6118.8167.200000109.2
1003D32.9Very low33.5Very low163 Ų163131 Ų13187%0.87282%0.817SS**  trans-150.8151.1160.2-131.1-30.2000112
1004S28.7Very low33.2Very low114 Ų114126.7 Ų126.780%0.79781%0.811SS**  trans-112.5109.1-161.8-64.20000113.7
1005V32.7Very low33Very low144 Ų144130.3 Ų130.387%0.87383%0.825SS**  trans-132.4103.4170.3-174.70000111.6
1006A32.8Very low33.1Very low74 Ų74125 Ų12561%0.61282%0.822SS**  trans-77.4156.4163.200000110.6C1008A1006-C1008 PolarHBondContact O-N 3.05Å
1007P30.2Very low32.7Very low134 Ų134127.5 Ų127.587%0.8783%0.831SS**  trans-75.4109.8-169.529.1-35.2000113
1008C28.7Very low33.1Very low120 Ų120126.8 Ų126.881%0.81183%0.827SS**  trans-108.8117.7178.2-74.70000112.6A1006 P1010A1006-C1008 PolarHBondContact O-N 3.05Å; C1008-P1010 WeakPolarHBondContact O-CD 3.37Å
1009T35.7Very low33Very low136 Ų136125.2 Ų125.283%0.83482%0.821SS**  trans-85.9127170.152.20000112.2
1010P40.3Very low32.8Very low123 Ų123126.1 Ų126.180%0.79982%0.821SS**  trans-91.6112.9153.531.9-26.1000108.9C1008C1008-P1010 WeakPolarHBondContact O-CD 3.37Å
1011R30Very low33.5Very low242 Ų242131.8 Ų131.891%0.91382%0.818SS**  89.711464.6-171-179.7-161-150.95.9111.8
1012S33.2Very low33.8Very low111 Ų111133.9 Ų133.978%0.77682%0.817SS**  trans-90.3138.4-174.455.30000114.5
1013C31.2Very low34Very low143 Ų143139.4 Ų139.497%0.96682%0.816SS**  trans-159.9149.4155.8-87.90000106.9
1014G32.9Very low34.1Very low69 Ų69137 Ų13771%0.71182%0.818SS**  cis-158.4142.1-12.800000107.7
1015K30.3Very low34.3Very low223 Ų223134.5 Ų134.597%0.9781%0.811SS**  67.894.693.5-164.9176.9-175.7-178.90113.9
1016G32.7Very low34.2Very low82 Ų82139.7 Ų139.785%0.84582%0.815SS**  trans-178.2125.9172.800000111.2
1017D33.8Very low34.1Very low157 Ų157142 Ų14284%0.8483%0.827SS**  trans-152.1163.9-171.2-167.644.8000106.3
1018P45.8Very low34Very low104 Ų104139.9 Ų139.968%0.67583%0.829SS**  cis-125-151.2-1126.5-1.6000112
1019A30.3Very low34.2Very low87 Ų87138.1 Ų138.172%0.71983%0.831SS**  trans80.9148.7160.700000117.6
1020D31.4Very low34.1Very low158 Ų158144 Ų14485%0.84584%0.838SS**  cis-146.8165.90.6-137.9-25.8000113.8
1021R46.1Very low33.8Very low195 Ų195141.9 Ų141.974%0.73684%0.839SS**  trans-103.2158.6166.3-101-168.4179.7-1613.3110
1022P39.1Very low33.8Very low127 Ų127137.9 Ų137.983%0.82583%0.834SS**  -138.2156.2119.923-4.7000115.5
1023W35.8Very low33.9Very low222 Ų222140.9 Ų140.984%0.84184%0.835SS**  trans-129.6112.9169.1-116.474000107.7
1024A34.3Very low33.9Very low111 Ų111144.7 Ų144.792%0.91783%0.829SS**  trans-178154165.600000108.6
1025G32.1Very low34.1Very low63 Ų63150.4 Ų150.465%0.64984%0.837SS**  cis-166.2138.8-9.900000107.4
1026W30.6Very low34.3Very low252 Ų252148.2 Ų148.296%0.95583%0.83SS**  38.198.592.3-77.166.1000115.4
1027S30.7Very low34.4Very low123 Ų123152 Ų15286%0.8683%0.831SS**  176.5136.8128.4-82.10000114.8
1028G29.9Very low34.7Very low89 Ų89150.1 Ų150.192%0.91883%0.827SS**  trans80.1112.9144.700000120
1029G31.8Very low34.2Very low83 Ų83153.3 Ų153.386%0.85684%0.837SS**  trans174.1116.5164.700000112.5
1030R33.4Very low34.6Very low259 Ų259154.5 Ų154.598%0.97784%0.838SS**  trans-95135.9-178.5-62.2173.1-179.3-105.93.1110.2
1031G33.7Very low34.7Very low79 Ų79151.7 Ų151.781%0.81483%0.83SS**  trans-162.877.9-177.900000113.9H1033G1031-H1033 PolarHBondContact O-N 3.13Å
1032I31.5Very low34Very low158 Ų158148 Ų14881%0.8183%0.829SS**  trans-67121-170.8-49.6159000112.6
1033H34.5Very low33.6Very low175 Ų175153.4 Ų153.481%0.8183%0.833SS**  -162.3162.7121.9-125.1-99.8000113.1G1031G1031-H1033 PolarHBondContact O-N 3.13Å
1034R32.1Very low33.4Very low222 Ų222147.5 Ų147.584%0.83883%0.832SS**  trans-147.2114.6-163.4-177.6-163.8-163.5-167.97.7111.5
1035E35.8Very low33.3Very low189 Ų189153.5 Ų153.588%0.88383%0.831SS**  trans-128.7173.6167.6-70.7-138.8138.100112.3
1036H35.9Very low33.8Very low177 Ų177156.6 Ų156.682%0.81984%0.84SS**PPolyproline II helixtrans-96.3138-149.6-108-120.4000116
1037L33.9Very low34Very low163 Ų163155.5 Ų155.585%0.85384%0.837SS**PPolyproline II helixtrans-83.2131.6164.3-80.2166.7000111.5
1038P40Very low34Very low117 Ų117152.8 Ų152.876%0.7683%0.829SS**PPolyproline II helixtrans-92.6127.7160.833.2-28.9000111.5
1039L35.7Very low34.4Very low171 Ų171154.6 Ų154.690%0.89582%0.822SS**PPolyproline II helixtrans-93.8130.3174.9-90.9159.4000112.1
1040P38.4Very low34.6Very low112 Ų112159.9 Ų159.973%0.72782%0.824SS**  trans-108.7119146.233.1-24.6000109.1
1041S33.9Very low35Very low99 Ų99155.4 Ų155.469%0.69281%0.811SS**  75.5102.371.3-165.80000114.7
1042T31Very low35Very low117 Ų117157 Ų15772%0.71881%0.81SS**  trans30.8127.8134.70.80000121.8
1043R30.2Very low35Very low241 Ų241158.3 Ų158.391%0.90981%0.81SS**  trans72.9106.5156.9-51.5-175.8-170.3-1493.1118.5
1044A32.7Very low35Very low98 Ų98155 Ų15581%0.8181%0.807SS**  -150.7129.6127.200000109.4
1045W31.4Very low35.2Very low236 Ų236150 Ų15089%0.89480%0.801SS**  trans-97.7129.2163.9-82.466.1000107.6Y1047W1045-Y1047 PolarHBondContact O-N 3.38Å; W1045-Y1047 VanDerWaalsContact O-N 3.09Å
1046P43.1Very low35.1Very low129 Ų129152.8 Ų152.884%0.83880%0.804SS**  trans-73.810017129.7-32000109.9
1047Y33.3Very low35.1Very low229 Ų229154.6 Ų154.690%0.89880%0.804SS**  trans-69.1156.9159.5-92.9-97.1000110.2W1045W1045-Y1047 PolarHBondContact O-N 3.38Å; W1045-Y1047 VanDerWaalsContact O-N 3.09Å
1048G32.7Very low35.4Very low66 Ų66151.6 Ų151.668%0.6880%0.802SS**  trans88.861.8156.900000117.1
1049V37.2Very low35.3Very low127 Ų127151.1 Ų151.177%0.7780%0.802SS**  trans-127.574.7150.9-174.90000108.5K1051V1049-K1051 VanDerWaalsContact C-N 3.34Å; V1049-K1051 HydrophobicContact CG1-CG 4.19Å; V1049-K1051 PolarHBondContact O-N 3.23Å
1050E37Very low35.6Very low194 Ų194148.6 Ų148.691%0.90779%0.794SS**  trans-73.488.7171.2-67.5-170135.400109.5
1051K41.4Very low35.7Very low164 Ų164149.1 Ų149.171%0.71380%0.797SS**  trans-77.9125166.1-83.3-176.8175.1-174.90109.5V1049 F1053V1049-K1051 VanDerWaalsContact C-N 3.34Å; V1049-K1051 HydrophobicContact CG1-CG 4.19Å; V1049-K1051 PolarHBondContact O-N 3.23Å; K1051-F1053 VanDerWaalsContact O-CD2 3.27Å; K1051-F1053 WeakPolarHBondContact O-CD2 3.33Å; K1051-F1053 PolarHBondContact O-N 3.42Å; K1051-F1053 VanDerWaalsContact O-N 3.09Å
1052S33.1Very low36.2Very low113 Ų113154.8 Ų154.879%0.7980%0.803SS**  trans-58.2106.3-176.8-46.80000112.8S1054S1052-S1054 VanDerWaalsContact C-N 3.32Å; S1052-S1054 PolarHBondContact O-N 3.41Å
1053F31.8Very low36.5Very low185 Ų185163.2 Ų163.281%0.81182%0.824SS**  trans-92.257173.6-86-78.7000112.2K1051 T1055K1051-F1053 VanDerWaalsContact O-CD2 3.27Å; K1051-F1053 WeakPolarHBondContact O-CD2 3.33Å; K1051-F1053 PolarHBondContact O-N 3.42Å; K1051-F1053 VanDerWaalsContact O-N 3.09Å; F1053-T1055 VanDerWaalsContact C-N 3.29Å; F1053-T1055 PolarHBondContact O-N 3.37Å
1054S33.6Very low36.8Very low105 Ų105159.4 Ų159.473%0.73482%0.82SS**  trans-83.559.6179.654.20000112.6S1052S1052-S1054 VanDerWaalsContact C-N 3.32Å; S1052-S1054 PolarHBondContact O-N 3.41Å
1055T37Very low37.1Very low118 Ų118162.6 Ų162.672%0.72482%0.82SS**  trans-151.947.4176.4-31.30000114.7F1053 R1057F1053-T1055 VanDerWaalsContact C-N 3.29Å; F1053-T1055 PolarHBondContact O-N 3.37Å; T1055-R1057 VanDerWaalsContact C-N 3.3Å; T1055-R1057 PolarHBondContact O-N 3.09Å
1056W33.5Very low37.4Very low247 Ų247158.5 Ų158.594%0.93682%0.816SS**  trans-74.584166.3-82.299.3000111.1A1058W1056-A1058 PolarHBondContact O-N 3.48Å
1057R36.7Very low37Very low216 Ų216160.2 Ų160.282%0.81582%0.815SS**  trans-70.3105169.8-172.9-177.2-67.1-119.32.9108.4T1055 S1059T1055-R1057 VanDerWaalsContact C-N 3.3Å; T1055-R1057 PolarHBondContact O-N 3.09Å; R1057-S1059 PolarHBondContact O-N 2.94Å
1058A38.7Very low37.3Very low99 Ų99155.9 Ų155.982%0.81881%0.809SS**  trans-67.196.1179.100000111.1W1056 T1060W1056-A1058 PolarHBondContact O-N 3.48Å; A1058-T1060 PolarHBondContact O-N 3.25Å
1059S39.4Very low37.6Very low108 Ų108161.9 Ų161.976%0.75582%0.818SS**  trans-78.7110.2170.2-64.60000109.9R1057R1057-S1059 PolarHBondContact O-N 2.94Å
1060T42.1Very low37.6Very low118 Ų118164.4 Ų164.472%0.72482%0.822SS**  trans-61141.6171.933.70000111.4A1058 R1062A1058-T1060 PolarHBondContact O-N 3.25Å; T1060-R1062 PolarHBondContact O-N 2.63Å
1061P40.5Very low37.6Very low123 Ų123162.2 Ų162.280%0.79982%0.815SS**  trans-71.8114.3166.829.8-31.6000109.4
1062R44.8Very low37.3Very low218 Ų218162 Ų16282%0.82382%0.824SS**  trans-107.492.1158-84.2-168.8173-169-0.3107.7T1060T1060-R1062 PolarHBondContact O-N 2.63Å
1063Y36.7Very low37.7Very low294 Ų294166.5 Ų166.5100%1.15383%0.827SS**  trans58.80-178.4-62.8-82.7000115.6

Retrieved 1,063 of 1,063 residues in 1951.9 ms (Link to these results)