A0A087XC80_POEFO Loading...

Sin3A-associated protein a

AlphaFold DB , UniProt , Accession A0A087XC80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,057 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
1M39.3Very low33.5Very low246 Ų246153.3 Ų153.3100%1.21280%0.801SS**  0128.70-69.1158.96400108.5
2S31.8Very low34.3Very low123 Ų123150.7 Ų150.786%0.8680%0.8SS**  trans-169.6134.1146.1-168.20000107.8
3S36.2Very low34Very low114 Ų114145.5 Ų145.580%0.79779%0.792SS**  trans-124.4146.8-179-59.10000109.4
4Q28.6Very low33.9Very low188 Ų188145.4 Ų145.488%0.87980%0.798SS**  trans-145.2153.8159.9-98.7-67.727.300109.8
5Q32.3Very low33.6Very low152 Ų152142.1 Ų142.171%0.7179%0.789SS**  trans-145.3135.7-167.6-98-171.6-9.700114
6F28.1Very low33.4Very low180 Ų180135.9 Ų135.979%0.78977%0.767SS**  trans64.4176.8144.2-74.1-49.9000119.8
7P54Low33.1Very low98 Ų98130.8 Ų130.864%0.63675%0.752SS**  cis-137.5174.3-15.918.36.8000118.3
8R33.9Very low33Very low207 Ų207127.4 Ų127.478%0.78174%0.742SS**  trans75154.9144.6-80.6161.2-171.6-112.14.4119.9
9H28.2Very low32.9Very low156 Ų156124.1 Ų124.172%0.72273%0.731SS**  cis-144.8-177.16-119.8-65.5000109.9
10G27Very low32.7Very low52 Ų52126.3 Ų126.354%0.53673%0.734SS.*  cis-176.9-12.6300000122.4
11L29.3Very low32.5Very low170 Ų170126.8 Ų126.889%0.8973%0.732SS**  trans65.3-165.4-177.1-56.9175.6000115.8
12P42.9Very low32.4Very low122 Ų122120.6 Ų120.679%0.79271%0.711SS**  -131.3-169.267.339.8-24.7000113.9
13A30.9Very low32.1Very low83 Ų83118.4 Ų118.469%0.68670%0.7SS**  cis-173.5-173.9-4000000109.6
14V31.7Very low32.2Very low145 Ų145118.7 Ų118.788%0.87970%0.699SS**  trans74.3149.6172.9-176.10000113.6
15S29.2Very low32.1Very low96 Ų96113.6 Ų113.667%0.67169%0.689SS**  cis-141.3-174.616-146.30000111.1
16G30.2Very low32Very low42 Ų42111.8 Ų111.843%0.43368%0.684SS.*  cis97.1119.3-0.400000115.2
17G29.5Very low32.1Very low49 Ų49110.6 Ų110.651%0.50569%0.685SS.*  cis-178.4177.5-3.100000115E719G17-E719 WeakPolarHBondContact CA-OE1 3.39Å; G17-E719 WeakPolarHBondContact CA-OE2 3.35Å
18A30.2Very low31Very low70 Ų70112.4 Ų112.458%0.57969%0.694SS**  trans64148.6158.800000123E719A18-E719 PolarHBondContact N-OE1 3.04Å
19A31.6Very low31.4Very low64 Ų64107.9 Ų107.953%0.52969%0.692SS.*  cis-169.1147.4-23.100000114.4
20Q28.6Very low31.4Very low169 Ų169106.6 Ų106.679%0.7969%0.694SS**  trans53.2108.3142.2-64179.31.500124.9
21I28.9Very low31.5Very low136 Ų136111 Ų11170%0.69771%0.706SS**  26.3140.3100.8-67.1173.1000117.9
22P36.5Very low31.5Very low117 Ų117111.7 Ų111.776%0.7670%0.704SS**  cis-137-172.430.826.5-0.1000118.7
23A25.4Very low31.9Very low76 Ų76110.8 Ų110.863%0.62870%0.699SS**  trans-71.1179.8177.600000114.3
24P38.5Very low31.8Very low120 Ų120112.2 Ų112.278%0.77970%0.704SS**  cis-148.9179.323.645.8-25.1000120.6
25A27.7Very low31.6Very low82 Ų82113 Ų11368%0.67870%0.703SS**  trans74113.214500000123.2
26N28.6Very low32.9Very low114 Ų114113.4 Ų113.461%0.6170%0.703SS**  trans75.1148.7132.5-150-6.2000121.1E711N26-E711 PolarHBondContact N-OE1 3.28Å
27L31Very low33.6Very low155 Ų155117.2 Ų117.281%0.81272%0.72SS**  trans76.6127.4170.7-56.5179.3000120.2
28V32Very low33.6Very low136 Ų136118.8 Ų118.882%0.82474%0.736SS**  trans-71163168.9-113.30000111.2
29P40.6Very low33.5Very low112 Ų112120 Ų12073%0.72775%0.746SS**  cis-152.4-169.740.141.9-18.6000119.1
30V29.2Very low33.4Very low128 Ų128124 Ų12478%0.77676%0.764SS**  trans88.289.3156.6179.20000120.4
31N29.8Very low33.5Very low145 Ų145119 Ų11978%0.77576%0.757SS**  54.9105.1110.5-158.535.2000122.5
32Q28.7Very low33.5Very low185 Ų185121.5 Ų121.586%0.86477%0.766SS**  -175.1166.8123.2-100.4-159.417.500112.8
33P51.4Low33Very low103 Ų103119.3 Ų119.367%0.66976%0.764SS**  trans-116.2163.2-162.741.2-33.5000117
34S28Very low33.1Very low113 Ų113123.2 Ų123.279%0.7978%0.775SS**  167.5121.8122.5-77.20000117.7
35N27.6Very low32.7Very low162 Ų162122 Ų12287%0.86677%0.769SS**  trans77.1173.6139.4-106.92.9000121.7
36P56.8Low32.6Very low104 Ų104122.8 Ų122.868%0.67577%0.77SS**  trans-127-146.6-136.143.4-21000112.5
37P45.7Very low32.7Very low121 Ų121128.3 Ų128.379%0.78678%0.782SS**  cis-138.7172.2-11.141.5-22.7000118.3
38G27.9Very low32.6Very low82 Ų82130 Ų13085%0.84579%0.786SS**  trans80.3172.5158.400000117.9
39A29.4Very low32.7Very low95 Ų95127 Ų12779%0.78578%0.783SS**  cis-167.1133.2-21.300000113.1
40V29.1Very low32Very low149 Ų149128.9 Ų128.990%0.90379%0.787SS**  trans61.2127.6154.8-173.80000122.1
41G30.8Very low32.4Very low63 Ų63131 Ų13165%0.64979%0.788SS**  trans147.1167.3158.800000113.4
42E27.9Very low32.3Very low190 Ų190127.3 Ų127.389%0.88878%0.784SS**  cis-168.6167.6-22.2-109-42-41.400110.7
43G27.6Very low32.5Very low70 Ų70126.8 Ų126.872%0.72278%0.781SS**  trans137.6148.4164.300000118.7
44D26.9Very low31.5Very low159 Ų159128.7 Ų128.785%0.8578%0.781SS**  trans-139.4132.5-164.2-172.6-116.4000117.4
45S29Very low31.6Very low94 Ų94128.4 Ų128.466%0.65777%0.771SS**  trans67.4160.6142.8-158.70000126
46S26Very low31.8Very low99 Ų99128.4 Ų128.469%0.69277%0.765SS**  trans76.9153.1164.2-65.40000121
47R32.1Very low32.1Very low229 Ų229128.9 Ų128.986%0.86477%0.768SS**  cis-169.2174.8-34.7-124.7172.8179.8163.6-0.1111.5
48E28.5Very low32.6Very low190 Ų190129.5 Ų129.589%0.88877%0.772SS**  trans-90.7170.9-170.8-60.9132.272.100117.8
49G33.3Very low33.2Very low75 Ų75129.9 Ų129.977%0.77377%0.768SS**  trans175148.915800000120
50D26.5Very low33.4Very low150 Ų150132.6 Ų132.680%0.80278%0.775SS**  trans81.4155.5153.8-133.3-109.3000123.6
51H38.1Very low33.5Very low174 Ų174129.3 Ų129.381%0.80677%0.771SS**  -163.2175.2-74.1-93.511.4000115.7
52G26.7Very low33.6Very low66 Ų66130.5 Ų130.568%0.6878%0.783SS**  trans139.6147.2171.600000114.9
53Q33.8Very low33.8Very low174 Ų174125.5 Ų125.581%0.81378%0.783SS**  cis88.81415.7-67.1-175.1-90.600119.2
54Q30.2Very low34.6Very low143 Ų143126.8 Ų126.867%0.66879%0.786SS**  cis-172166-14.3-173179.2-56.100113.1
55D29.3Very low35.1Very low107 Ų107126.6 Ų126.657%0.57279%0.791SS**  trans110.9178.6141.7-126.8-87.2000123.4
56H32.5Very low35.8Very low162 Ų162130.5 Ų130.575%0.7580%0.804SS**  trans-118.9-103-138.3-59.6-69.5000122.7
57P63.5Low36.3Very low114 Ų114130.1 Ų130.174%0.7481%0.807SS**  -110.5-176.8-120.532.2-15.4000116.1
58P56.4Low36.4Very low134 Ų134128.9 Ų128.987%0.8781%0.808SS**  cis-140.4-136.319.744.7-21.6000116.8
59A39Very low36.9Very low90 Ų90129.9 Ų129.974%0.74480%0.804SS**  trans-151.9167.8-171.600000115.7
60T34.3Very low37.1Very low153 Ų153132.1 Ų132.194%0.93980%0.798SS**  trans167.6143.6147.9-74.60000114.9
61G31.1Very low37.8Very low79 Ų79130.8 Ų130.881%0.81479%0.791SS**  trans111.1131151.700000118.2
62G32.3Very low37.8Very low88 Ų88130.4 Ų130.491%0.90779%0.787SS**  trans-140.2-174.6-172.300000117.7
63G33.3Very low38.4Very low86 Ų86133.9 Ų133.989%0.88779%0.785SS**  trans172141.1178.200000112.7
64A43.3Very low38.3Very low96 Ų96134.1 Ų134.179%0.79379%0.786SS**  trans-110.5159.9-158.300000117
65T38.1Very low38.8Very low156 Ų156131.9 Ų131.996%0.95778%0.782SS**  trans-177.7179.2135.722.50000112.9
66L44.4Very low39.1Very low176 Ų176134.5 Ų134.592%0.92179%0.793SS**  trans-103.9147.7-165.5-69.4164.7000114.9
67A36.7Very low39.1Very low91 Ų91132.4 Ų132.475%0.75279%0.792SS**  154.1132.7113.500000116.5
68F33.5Very low37.6Very low203 Ų203132.4 Ų132.489%0.8979%0.789SS**  trans46119.7147.3-90-82.6000124.3
69R39.2Very low36.3Very low211 Ų211136.8 Ų136.880%0.79679%0.788SS**  97.4138.5125.3-144.4-164.1162.1146.50.7122.2
70D38Very low37.2Very low122 Ų122137 Ų13765%0.65278%0.782SS**  trans72.6126.4150-100.9-121.9000123
71D39.6Very low36.9Very low121 Ų121140.3 Ų140.365%0.64778%0.779SS**  trans22.6134.2142.9-158.2-97.5000123.6
72K39.8Very low38.1Very low167 Ų167141.6 Ų141.673%0.72677%0.773SS**  trans-176.4132.3136-99.4156.1178.2-670112
73Q37.6Very low38Very low138 Ų138145.3 Ų145.365%0.64577%0.767SS**  72.7102.879.6-63.9178.6-6.300117
74E33.2Very low37.8Very low180 Ų180148.2 Ų148.284%0.84177%0.767SS**  49.7138.2120.7-102.9-166.898.700124.6
75T39.8Very low37.3Very low95 Ų95149.3 Ų149.358%0.58376%0.756SS**  99.3119.9125.9-83.40000123.9
76M34.7Very low36.7Very low162 Ų162150.4 Ų150.480%0.79875%0.752SS**  trans73.8122.3145.1-82.3-163-60.400127
77V34.1Very low35.9Very low119 Ų119148.4 Ų148.472%0.72174%0.738SS**  84.9105.2117.9170.70000124.5
78V31.5Very low35.5Very low113 Ų113147.2 Ų147.269%0.68573%0.734SS**  81.6111.2125.5173.50000125.4
79R30Very low35.1Very low226 Ų226145.9 Ų145.985%0.85373%0.731SS**  trans64.6176.2136.3-75.8-174.1174.8147.2-3.9122
80P56.9Low35Very low96 Ų96141 Ų14162%0.62373%0.727SS**  cis-145.5-179.5-47.542.8-25.7000118.3
81Y27.7Very low34.3Very low221 Ų221143.2 Ų143.287%0.86773%0.733SS**  trans73.5171.6149.9-78.9-48.8000121.7
82P56.6Low33.7Very low106 Ų106142.1 Ų142.169%0.68874%0.741SS**  cis-138.8170.4-139.8-20.9000120.2
83Q29.4Very low32.9Very low166 Ų166137.4 Ų137.478%0.77674%0.739SS**  trans69.2156.9143.5-90.2178.9-19.700122.9
84V30.6Very low32.8Very low147 Ų147136.8 Ų136.889%0.89175%0.748SS**  cis-116.8-15431.9-61.70000116.8
85Q31.9Very low32.3Very low119 Ų119136.2 Ų136.256%0.55675%0.745SS**  trans-153.9133.5-162.2177.1-178.4-76.200116.6H87Q85-H87 PolarHBondContact NE2-CD2 3.18Å; Q85-H87 PolarHBondContact NE2-CE1 3.08Å; Q85-H87 PolarHBondContact NE2-NE2 3.02Å; Q85-H87 VanDerWaalsContact NE2-NE2 3.11Å; Q85-H87 PolarHBondContact O-ND1 3.07Å; Q85-H87 VanDerWaalsContact O-ND1 3.1Å
86M26.2Very low31.6Very low180 Ų180138.4 Ų138.489%0.88776%0.758SS**  trans-128.186.8150.2-78.1-108.685.800107.7
87H28Very low31.1Very low133 Ų133136.5 Ų136.562%0.61676%0.755SS**  79.1119.984.6-77.6105.1000113.7Q85Q85-H87 PolarHBondContact NE2-CD2 3.18Å; Q85-H87 PolarHBondContact NE2-CE1 3.08Å; Q85-H87 PolarHBondContact NE2-NE2 3.02Å; Q85-H87 VanDerWaalsContact NE2-NE2 3.11Å; Q85-H87 PolarHBondContact O-ND1 3.07Å; Q85-H87 VanDerWaalsContact O-ND1 3.1Å
88G26.7Very low30.7Very low66 Ų66135.6 Ų135.668%0.6876%0.755SS**  cis173.2155-9.700000116.5
89Q26.5Very low30.3Very low176 Ų176137.4 Ų137.482%0.82276%0.759SS**  trans62.1161.7163.7-86.8-169.1-72.100120
90P35.6Very low30.5Very low109 Ų109135.1 Ų135.171%0.70876%0.758SS**  cis-121.1-180-7.328.8-8.3000115.4
91Q24.7Very low29.3Very low168 Ų168136.2 Ų136.279%0.78577%0.765SS**  trans-58.7153.2179-49.3122.8-93.200114.4
92A26.2Very low29.3Very low98 Ų98129.2 Ų129.281%0.8176%0.76SS**  -164.6130.8123.100000112.6
93G23.6Very low28.1Very low67 Ų67128 Ų12869%0.69176%0.759SS**  trans-93.3169.5135.100000108.2
94P34.5Very low28.5Very low126 Ų126124.8 Ų124.882%0.81875%0.752SS**  -144.7-173.757.140.5-22.6000115.5
95Q24Very low28.3Very low168 Ų168122.4 Ų122.479%0.78574%0.738SS**  trans-55153.5159-49.6170.533.600111.7
96T24.7Very low28Very low141 Ų141120.3 Ų120.387%0.86573%0.734SS**  trans-125.8142.2143.350.70000110.3
97V24.8Very low28.2Very low121 Ų121117.2 Ų117.273%0.73372%0.72SS**  trans-100.5-179.2170.4-1780000107.3
98S24Very low28.4Very low101 Ų101116.5 Ų116.571%0.70673%0.727SS**  trans94.8103.7178-146.80000112.7
99I24.7Very low28.2Very low151 Ų151117.1 Ų117.177%0.77473%0.726SS**  87.9133.863.3-67159.9000112.2
100Q34.1Very low28.5Very low178 Ų178114.7 Ų114.783%0.83273%0.725SS**  trans-68.3143.8-179.3-157.9-160.592.600111.6
101P30.2Very low28.1Very low118 Ų118115.3 Ų115.377%0.76673%0.727SS**  -156.3161.2107.438.6-20.8000117.4
102G27.8Very low28.2Very low75 Ų75113.6 Ų113.677%0.77373%0.728SS**  trans89.3156.5140.800000120.7
103A31.3Very low28.3Very low81 Ų81116.8 Ų116.867%0.66973%0.726SS**  trans-142.7127.5172.100000111.9
104P39.7Very low28.7Very low97 Ų97120.3 Ų120.363%0.6373%0.728SS**  trans-154.9165.3147.737.7-19.4000116.5H699 M700P104-H699 CarbonylContact C-O 3.59Å; P104-H699 WeakPolarHBondContact CA-O 3.45Å; P104-M700 CarbonylContact O-C 3.45Å
105V26.1Very low29.3Very low97 Ų97119 Ų11959%0.58872%0.719SS**  cis-163.3143.4-35.5115.40000110.6H699V105-H699 WeakPolarHBondContact CA-O 3.1Å; V105-H699 HydrophobicContact CG2-CB 4.04Å; V105-H699 PolarHBondContact N-O 3.33Å
106T25.4Very low29.6Very low76 Ų76120 Ų12047%0.46672%0.724SS.*  trans44.3127.4159.6-60.10000125.2M700T106-M700 VanDerWaalsContact C-SD 3.53Å
107L30.4Very low29.6Very low115 Ų115116.7 Ų116.760%0.60272%0.718SS**  trans30.9151.2142.5-54.6174.4000123.6M700L107-M700 HydrophobicContact CD2-CE 4.06Å; L107-M700 PolarHBondContact N-SD 2.74Å
108P31.2Very low30.1Very low117 Ų117119.8 Ų119.876%0.7672%0.724SS**  -125.3163.986.26.816.2000113.3
109A23.3Very low31.1Very low80 Ų80119.5 Ų119.566%0.66172%0.72SS**  cis76.5136.542.600000113.5
110P32.3Very low31.3Very low125 Ų125117.5 Ų117.581%0.81272%0.719SS**  cis-118.6174.84816.95.6000114.8
111T26.3Very low31Very low121 Ų121114.6 Ų114.674%0.74271%0.713SS**  cis127146.92.5-62.20000110.7
112V27.3Very low31Very low132 Ų132116 Ų11680%0.871%0.714SS**  trans102.2128-172175.80000110.5
113H28.5Very low31.2Very low166 Ų166117.6 Ų117.677%0.76971%0.709SS**  cis-136.8-158.44.2-156.6-113.1000113.3
114L32.8Very low31Very low140 Ų140121 Ų12173%0.73372%0.715SS**  trans-138.1176-176.5-124.265.3000109.8
115P46.1Very low30.6Very low98 Ų98119.5 Ų119.564%0.63672%0.718SS**  cis-124.3-151.6-11.637.6-16000110.4
116Q29.8Very low30.9Very low190 Ų190122.1 Ų122.189%0.88872%0.724SS**  cis-161.4173.1-0.8-149.6150.2-85.200110.7
117G26.7Very low31.1Very low71 Ų71126.2 Ų126.273%0.73274%0.74SS**  trans118.5142.7158.200000116.7
118Q33.9Very low31.4Very low187 Ų187130.7 Ų130.787%0.87476%0.755SS**  trans-154.7173-172.8-107.7-153.43.400111
119P44.8Very low31.3Very low95 Ų95130 Ų13062%0.61776%0.759SS**  cis-138.4-160.5-25.537.1-17000113.8
120S29.9Very low31.7Very low108 Ų108132 Ų13276%0.75576%0.763SS**  trans83.5148.4152.9-72.60000121.3
121V28.2Very low31.6Very low117 Ų117134.9 Ų134.971%0.70977%0.765SS**  cis-169149-28.796.40000111.7
122L29.5Very low32Very low149 Ų149138.5 Ų138.578%0.7877%0.77SS**  trans60.7158.6162.9-99.567.1000119.6
123T30.7Very low32.9Very low107 Ų107137.4 Ų137.466%0.65677%0.765SS**  cis-155.4165.4-17-160000109.6
124D29.1Very low33.1Very low152 Ų152135.7 Ų135.781%0.81377%0.769SS**  trans38.7157154.2-92.1-106000122.7
125G30.8Very low33.3Very low67 Ų67136.5 Ų136.569%0.69177%0.773SS**  cis135.5150.213.600000109.2
126Q30.9Very low32.9Very low151 Ų151137.2 Ų137.271%0.70678%0.777SS**  cis-160.2139.1-9.9-160.8-167.730.100110.8
127M30.7Very low32.9Very low163 Ų163133.6 Ų133.680%0.80377%0.773SS**  trans49.2158.7154.673-171.1175.200124.7
128K36Very low33.7Very low209 Ų209141.5 Ų141.591%0.90978%0.78SS**  trans-96.1154.4-179.7-65.6176177.2173.70113.6
129A30.4Very low33.5Very low103 Ų103140 Ų14085%0.85178%0.778SS**  trans-148.7178.8148.800000111.4
130V31.9Very low32.8Very low122 Ų122143.1 Ų143.174%0.73979%0.787SS**  trans-129.4140.9-165.9179.80000111.8
131H28.9Very low32.7Very low184 Ų184142 Ų14285%0.85279%0.785SS**  trans167.8176.5130.7-92.6-77.6000112.7
132K36Very low33.1Very low198 Ų198142.2 Ų142.286%0.86179%0.789SS**  trans-121.2179.3-168.8-60.9-177.7177.1-175.80111.2
133P46Very low33.2Very low108 Ų108139.4 Ų139.470%0.70179%0.787SS**  -132.3-173.8-54.639.8-24.1000111.9
134P31.9Very low33.4Very low130 Ų130140.4 Ų140.484%0.84480%0.795SS**  trans-136.6172.7139.435.5-21.2000115.5
135I37.6Very low33.2Very low158 Ų158137.8 Ų137.881%0.8180%0.795SS**  trans-138.3136.9-177.7-73.8174.8000105.3
136P37.9Very low33Very low112 Ų112139.2 Ų139.273%0.72779%0.794SS**  -137.8-177.766.636.3-14000113.4
137S29.8Very low32.8Very low114 Ų114138.7 Ų138.780%0.79780%0.796SS**  cis-152172.133.1-64.30000114.2
138R41.9Very low32.5Very low237 Ų237138.9 Ų138.989%0.89480%0.795SS**  trans-89.3161.9170.1-64.8173.4168.6-1221.1111.6
139L30.9Very low32Very low156 Ų156133.2 Ų133.282%0.81779%0.787SS**  trans-164.7131.8139.7-100.9169.6000112.6
140I30.4Very low31.9Very low160 Ų160136.9 Ų136.982%0.82179%0.786SS**  trans66.5161.2149.4-70.2173.3000120.9
141A27.7Very low31.9Very low85 Ų85138.1 Ų138.170%0.70279%0.787SS**  trans-105.1-150.2-171.900000110.2
142P37.2Very low32.1Very low122 Ų122134.5 Ų134.579%0.79278%0.78SS**  cis-128.4-174.88.844.1-27.3000115
143A30.6Very low31.5Very low89 Ų89134.1 Ų134.174%0.73678%0.778SS**  trans-94.3160.8159.600000110.6
144P34.7Very low30.6Very low129 Ų129135 Ų13584%0.83878%0.782SS**  trans-127.4174.7139.438.2-30000112.1
145A25.8Very low30.2Very low97 Ų97132.8 Ų132.880%0.80277%0.774SS**  trans-137.3173.7178.300000110.9
146S26.1Very low29.7Very low97 Ų97130.7 Ų130.768%0.67877%0.774SS**  trans79.8138.1161.7-149.20000118.4
147N25.6Very low29.3Very low139 Ų139134.1 Ų134.174%0.74378%0.78SS**  trans65.7160.2157.4-62.7-24.9000118.4
148Q25.6Very low29.4Very low168 Ų168136.6 Ų136.679%0.78578%0.782SS**  cis-166.4150.1-32.6-179176.18.600108.2
149A25.4Very low28.9Very low89 Ų89131 Ų13174%0.73678%0.775SS**  trans69.8167.3162.400000120.5
150H28.6Very low28.8Very low180 Ų180128.7 Ų128.783%0.83377%0.767SS**  trans74120.6166.6-106.8-76.4000122.5
151I30.7Very low28.8Very low149 Ų149127 Ų12776%0.76476%0.764SS**  trans-101.9138.4157.3-26.2175.8000106.2
152P33.6Very low29.1Very low108 Ų108129.9 Ų129.970%0.70177%0.766SS**  -142.2165.9100.938.9-22.2000110.9
153K22.9Very low28.6Very low189 Ų189133 Ų13382%0.82277%0.77SS**  cis70.8120.939.3-161177-176.6-175.50111.9
154V26.8Very low28.5Very low127 Ų127132.9 Ų132.977%0.7776%0.764SS**  cis-165.5160.2-10111.10000109.1
155A25.2Very low28.1Very low84 Ų84133.1 Ų133.169%0.69476%0.763SS**  trans65.8169169.100000116.6
156S26.7Very low28.3Very low114 Ų114136 Ų13680%0.79776%0.762SS**  cis-146.9163.814.8-56.90000115.3
157H29.7Very low29.2Very low184 Ų184135.7 Ų135.785%0.85276%0.758SS**  trans-47.9157.1-176.6-61.7-92.1000122.5
158I32.1Very low29.3Very low165 Ų165136 Ų13685%0.84677%0.765SS**  trans-171.6147.9163.9-100.9151000106.3
159T29.8Very low29.4Very low121 Ų121133.4 Ų133.474%0.74276%0.76SS**  cis-158.3-172.7-17.2-74.20000108.1
160V29.8Very low30.6Very low107 Ų107134.4 Ų134.465%0.64876%0.76SS**  trans-124.2154.1-168-175.80000110.2I162V160-I162 HydrophobicContact CG1-CD1 3.68Å; V160-I162 HydrophobicContact CG1-CG1 4.17Å
161T29.8Very low30.5Very low125 Ų125131.4 Ų131.477%0.76776%0.759SS**  170.9119.690.9-59.20000107.8
162I34.9Very low30.3Very low144 Ų144131 Ų13174%0.73876%0.757SS**  72.9118.275-55.5162.6000116.3V160V160-I162 HydrophobicContact CG1-CD1 3.68Å; V160-I162 HydrophobicContact CG1-CG1 4.17Å
163E27.1Very low30.6Very low188 Ų188131.9 Ų131.988%0.87976%0.762SS**  trans-152.6161.8136.7-147-168.592.600109.9
164S28.3Very low30.7Very low87 Ų87129.1 Ų129.161%0.60876%0.761SS**  trans-165.1154.5-173-173.90000112.5
165T26.4Very low31.1Very low133 Ų133127.6 Ų127.682%0.81676%0.762SS**  trans-147.6140.4162.3-69.10000111.6
166M28.6Very low31.7Very low158 Ų158129.9 Ų129.978%0.77877%0.767SS**  trans-154.4-172.1-172.4-55.9-164.380.900107.7
167P46.5Very low32.1Very low91 Ų91132.5 Ų132.559%0.59177%0.771SS**  cis-139.1-167.90.444-25.3000115.1
168T27.1Very low32.3Very low145 Ų145129.4 Ų129.489%0.8977%0.769SS**  trans-148.1127132-2.90000110.1
169T28.3Very low32.2Very low113 Ų113124.5 Ų124.569%0.69376%0.76SS**  trans-161.8-158.8-170.258.80000106.2
170P49.7Very low32.3Very low111 Ų111127.5 Ų127.572%0.72177%0.765SS**  cis-129.5-171.8-23.639.3-23.2000112.4
171S26.4Very low32.4Very low117 Ų117130.2 Ų130.282%0.81877%0.771SS**  -157.4150.5127-161.50000112.3
172I27.3Very low32.1Very low141 Ų141127.6 Ų127.672%0.72377%0.769SS**  trans-153.8142.2-167.7-87.3169.4000106.3
173P38.6Very low31.7Very low126 Ų126128.5 Ų128.582%0.81877%0.77SS**  -142.6160.8111.931.5-13.3000116.1
174V25.5Very low31.8Very low131 Ų131124.2 Ų124.279%0.79476%0.761SS**  trans-93.8167.2178.4168.40000110.5
175A36.2Very low31.8Very low95 Ų95124.6 Ų124.679%0.78576%0.763SS**  trans-64.7153.6-174.900000116
176T37.9Very low31.9Very low131 Ų131125.1 Ų125.180%0.80476%0.761SS**  trans-142.4147.7167.4-53.80000109.8
177I34.9Very low32.1Very low170 Ų170123.6 Ų123.687%0.87276%0.755SS**  trans-132.9129.2168-59173000107.7
178S32.2Very low31.2Very low118 Ų118126.7 Ų126.783%0.82576%0.762SS**  trans-168.5140163.6-166.60000113.8
179G32Very low31.2Very low63 Ų63127.8 Ų127.865%0.64976%0.756SS**  trans101.9100.7143.100000120.2
180Q31.7Very low31.2Very low183 Ų183129.6 Ų129.686%0.85576%0.761SS**  trans57.6149.5142.6-58.4-71.624.300119.4
181Q30.8Very low30Very low164 Ų164132.4 Ų132.477%0.76677%0.767SS**  cis-144.1138.61.4-178.4178.4-8.800108.7
182G24.7Very low31.1Very low70 Ų70132.3 Ų132.372%0.72276%0.763SS**  trans165.396178.600000112.1
183H24.8Very low31Very low164 Ų164129.4 Ų129.476%0.75976%0.76SS**  trans-70.4154.4-178.9-48.4-89.3000110.2
184S29.2Very low30.4Very low98 Ų98130.6 Ų130.669%0.68576%0.759SS**  cis-167155.734.951.30000113.2
185S28.4Very low30.7Very low94 Ų94132 Ų13266%0.65776%0.761SS**  trans39.2150.4142.555.80000122.9
186N29.8Very low30.3Very low145 Ų145136 Ų13678%0.77576%0.763SS**  cis-172.6172.2-1.6-101.1-0000108.4
187L32.2Very low29.8Very low126 Ų126137 Ų13766%0.6676%0.762SS**  cis-172.6107.8-32.5-176.477.1000111
188H28.8Very low29.5Very low156 Ų156135.5 Ų135.572%0.72275%0.754SS**  trans68156.9155.4-72.3-139.7000122.5
189H26.5Very low29.2Very low168 Ų168140.7 Ų140.778%0.77876%0.756SS**  trans70.2161153.1-78.1-23.2000119.7
190L27.1Very low28.9Very low151 Ų151143.8 Ų143.879%0.79176%0.762SS**  cis-140.2-159.47.3-155.264.4000112.2
191M24.4Very low29Very low170 Ų170140.6 Ų140.684%0.83776%0.757SS**  trans-89.2-155.3177.5-73.8-94.8-175.600111.6
192P49.8Very low29.2Very low115 Ų115139.1 Ų139.175%0.74776%0.76SS**  -131.8-169.3-96.343.1-25.2000115.6
193A26.6Very low29.3Very low80 Ų80142.1 Ų142.166%0.66176%0.763SS**  trans95.6144.5149.100000121.7
194N25.3Very low30Very low150 Ų150139.4 Ų139.480%0.80276%0.761SS**  trans68.7153.3165.6-56.2-36.9000116.2
195I31.2Very low30.6Very low161 Ų161140.5 Ų140.583%0.82677%0.765SS**  cis-131.3160.425.5-64.8162.5000112.3
196H28Very low30.9Very low178 Ų178143.9 Ų143.982%0.82477%0.771SS**  trans-80.1179.4-179.8-105.3-146.6000115.4
197I28Very low31.4Very low153 Ų153142 Ų14279%0.78577%0.767SS**  trans114.3131.2162.9-65.6162.8000113.2
198I28.5Very low31.2Very low139 Ų139143.5 Ų143.571%0.71377%0.77SS**  cis-151119.7-15.4-109.5175.9000105.5
199R25.7Very low31.7Very low227 Ų227140.3 Ų140.386%0.85776%0.763SS**  93.8137.794.6-148175.9-168163.52.9115.5
200T25.3Very low31.7Very low127 Ų127142.5 Ų142.578%0.77977%0.766SS**  trans-77.7-175.7-173.447.80000113.4
201P34.7Very low32.1Very low116 Ų116140.8 Ų140.875%0.75376%0.764SS**  cis-145.4-17816.644.6-24000119.9
202T34.2Very low32.3Very low134 Ų134138.2 Ų138.282%0.82276%0.763SS**  trans-107.4143.7174.8-50.40000111.8
203V26.4Very low31.5Very low132 Ų132140.3 Ų140.380%0.876%0.762SS**  trans-145.3132.5167.4-175.30000112.4
204P39.5Very low31.8Very low108 Ų108144.1 Ų144.170%0.70177%0.771SS**  trans-113.6-164.1172.244.2-35.3000112
205P42.3Very low32.2Very low120 Ų120143 Ų14378%0.77977%0.771SS**  cis-130.9-174.1-16.829.6-5.5000116
206Q34.1Very low32.2Very low165 Ų165147.5 Ų147.577%0.77178%0.778SS**  trans-6.6160.1160.8-77.3-161.1-1.600122.9
207P41Very low32.5Very low107 Ų107142.5 Ų142.570%0.69578%0.775SS**  cis-156.8155.34240.7-17.1000123.3
208Q28.3Very low32.8Very low157 Ų157140.3 Ų140.373%0.73478%0.78SS**  trans68.3-175.3143.1-59-68.6-15.200119.6
209P39.3Very low32.9Very low88 Ų88138.7 Ų138.757%0.57179%0.787SS**  -138-174.1-104.538.9-15.4000119.4
210Y26.3Very low33Very low215 Ų215132.5 Ų132.584%0.84378%0.784SS**  trans83.2169.4171.9-57.2-72.4000117.8
211P34.8Very low33.3Very low115 Ų115131.5 Ų131.575%0.74779%0.789SS**  -133.6163.4-68.439.9-24.8000114.4
212S29.9Very low33.2Very low116 Ų116130 Ų13081%0.81179%0.786SS**  trans-133.8165.7169.874.60000114.4
213H32.3Very low33.1Very low159 Ų159129.3 Ų129.374%0.73678%0.782SS**  trans-129.3121.4-147.534.1-95.5000112.1
214L32.7Very low33.2Very low160 Ų160130.9 Ų130.984%0.83878%0.782SS**  175.8130.6127.4-120.965.8000111.6
215P34.1Very low32.6Very low125 Ų125130.8 Ų130.881%0.81278%0.784SS**  trans-89.7122.4171.433-30.4000111.7G217P215-G217 PolarHBondContact O-N 3.09Å
216R31.8Very low31.9Very low256 Ų256130.6 Ų130.697%0.96679%0.785SS**  trans-8595.8171-166.8168-172.9139.30.6110
217G33.6Very low31.8Very low74 Ų74128 Ų12876%0.76379%0.786SS**  trans-66.3146179.500000113.5P215P215-G217 PolarHBondContact O-N 3.09Å
218A35Very low31.3Very low107 Ų107132.8 Ų132.888%0.88480%0.796SS**  trans-97.2168.2-177.300000113.1
219A29.4Very low31.4Very low104 Ų104132 Ų13286%0.8680%0.802SS**  trans-133.1114.6168.800000110.5
220A27.7Very low31Very low97 Ų97133.9 Ų133.980%0.80281%0.811SS**  trans-157.294.8174.900000112.8
221A31.8Very low31.1Very low106 Ų106132 Ų13288%0.87682%0.815SS**  trans62.7172.515900000117.1
222A32.6Very low30.8Very low84 Ų84137.3 Ų137.369%0.69482%0.82SS**  cis-161.5160.8600000114.2
223V32Very low31.3Very low121 Ų121137.3 Ų137.373%0.73382%0.817SS**  trans79.8103133.91680000122.7
224M27.9Very low31Very low165 Ų165134.6 Ų134.681%0.81382%0.823SS**  68.9124.8122.2-59.5179.375.300125.9
225S28.6Very low30.6Very low105 Ų105134.1 Ų134.173%0.73483%0.826SS**  90.1115.1122.7-168.80000122.8
226S27.4Very low30.2Very low116 Ų116131.8 Ų131.881%0.81183%0.825SS**  -161.8163118.861.40000110.4
227S32Very low29.9Very low112 Ų112123.9 Ų123.978%0.78381%0.814SS**  trans-144.5130.4-169.2-43.40000114.5
228K29.1Very low29.5Very low206 Ų206126.4 Ų126.490%0.89682%0.82SS**  trans173.7131.5140.4-106-176.2177.7-172.40112.6
229T30Very low29Very low141 Ų141125.9 Ų125.987%0.86582%0.816SS**  -173.3156.6129-74.20000108.1
230V31.1Very low28.8Very low127 Ų127126.3 Ų126.377%0.7781%0.812SS**  trans-128.3143.2-171.9171.90000109.5
231L28.4Very low29.1Very low175 Ų175127.8 Ų127.892%0.91681%0.814SS**  trans-139.3159.9157.7-92.6176.4000111.2
232R30.2Very low28.8Very low228 Ų228126 Ų12686%0.8681%0.806SS**  trans-95.2166.7-171.1-96.5-175.678104.4-7.1113.3
233P39.9Very low28.9Very low115 Ų115130.7 Ų130.775%0.74781%0.814SS**  trans-84.7165.1-175.635.6-37.8000114.1
234A24.7Very low29.1Very low103 Ų103130.6 Ų130.685%0.85182%0.815SS**  trans-131.8164.8163.900000109.7
235T25.5Very low29Very low150 Ų150128.2 Ų128.292%0.9281%0.81SS**  trans-118.7150.4-157.546.50000116
236G26.1Very low29.1Very low76 Ų76128.8 Ų128.878%0.78481%0.809SS**  trans119164.7156.800000115.1
237A25.6Very low29.1Very low89 Ų89131.4 Ų131.474%0.73681%0.808SS**  cis-175.2135.2-25.200000109.3
238S24Very low28.9Very low128 Ų128132.7 Ų132.790%0.89580%0.802SS**  trans62.5163.3172.378.40000116.5
239A25.2Very low29.1Very low95 Ų95129.6 Ų129.679%0.78579%0.794SS**  cis-144.9175.84.400000112.9
240S24.3Very low29.2Very low113 Ų113130.2 Ų130.279%0.7979%0.79SS**  trans-83.3-175.9169.4-1290000111.2
241P35Very low29.1Very low128 Ų128132.3 Ų132.383%0.83179%0.791SS**  cis-131.8-174.828.640.5-20.5000114.7
242G25.8Very low29.2Very low69 Ų69131.8 Ų131.871%0.71178%0.784SS**  cis-178.8176.6-2.900000112.8
243Q33.4Very low29.1Very low183 Ų183127.6 Ų127.686%0.85578%0.784SS**  trans-99.1176175.8-80-166.1-28.700112.9
244P36.6Very low28.6Very low118 Ų118129.3 Ų129.377%0.76679%0.785SS**  -127.7141.4118.62.718.7000116.8
245T25.3Very low28.7Very low116 Ų116133.6 Ų133.671%0.71279%0.788SS**  trans-2.2140.3145.650.30000120.4
246V30.8Very low28.8Very low117 Ų117131.5 Ų131.571%0.70978%0.779SS**  cis81.4129.144.3172.70000114.9
247Q27.7Very low29.1Very low170 Ų170139.3 Ų139.379%0.79479%0.785SS**  trans173.2149.4144.2-79.9-118.654.900110.2
248H28.4Very low30.5Very low139 Ų139140.2 Ų140.264%0.64478%0.784SS**  cis-173.2-176.2-28.6-129.8-82.9000110.4
249I32.3Very low30.7Very low142 Ų142138.4 Ų138.473%0.72878%0.776SS**  trans77.2139.7153.2-75.9155000117.8
250I32.4Very low31Very low153 Ų153140.1 Ų140.179%0.78578%0.777SS**  cis-152.3178.5-7.6-110.8174.4000111.5
251H29.3Very low31.2Very low172 Ų172140 Ų14080%0.79677%0.772SS**  trans-105.6154.3-166.9-70.3-175.1000119.3
252Q30.8Very low31Very low164 Ų164140.8 Ų140.877%0.76677%0.774SS**  trans52137.6138.6-77.2-13690.900125.5
253T27.5Very low31.1Very low140 Ų140142.8 Ų142.886%0.85978%0.777SS**  -155.8116.1126.839.40000114.9
254I30.4Very low30.8Very low150 Ų150141 Ų14177%0.76978%0.779SS**  trans8.1131.9146.4-56.4165.4000121.1
255Q26.5Very low30.4Very low193 Ų193140 Ų14090%0.90278%0.78SS**  trans-160153.4146-157.7179.19900111.2
256S27.2Very low30.5Very low107 Ų107141.2 Ų141.275%0.74879%0.788SS**  trans-169.4172.5175.670.40000117.1
257R32Very low30.3Very low239 Ų239142.9 Ų142.990%0.90279%0.792SS**  trans97.7157.2155.6-80.3-152.7164-139.9-2.6122.1
258P56.3Low31Very low109 Ų109140.8 Ų140.871%0.70879%0.793SS**  trans-138.1-168.8-153.346.6-28.5000117.1
259A28.3Very low31Very low90 Ų90140 Ų14074%0.74480%0.797SS**  trans-150.6152.3156.100000110.2
260V29.8Very low30.8Very low131 Ų131139.3 Ų139.379%0.79480%0.8SS**  cis92.2132.27.2-177.10000116.1
261T30.1Very low30.6Very low111 Ų111139.1 Ų139.168%0.68181%0.805SS**  cis-171.2147.8-25.1-82.50000109.3
262T29.3Very low30.6Very low144 Ų144134.9 Ų134.988%0.88380%0.801SS**  trans-142.7166.2166.235.20000114.1
263S29.1Very low31.2Very low110 Ų110132.6 Ų132.677%0.76980%0.8SS**  trans-155.1160.8-162.6-51.70000115
264T26.3Very low31.3Very low146 Ų146133 Ų13390%0.89680%0.795SS**  trans-152.8145.8170.8-52.90000110.7
265A28.1Very low31.2Very low96 Ų96131.3 Ų131.379%0.79380%0.797SS**  trans-159.8159172.400000113.6
266V27.4Very low31.3Very low143 Ų143126.9 Ų126.987%0.86779%0.793SS**  trans-143152.3171.6-1750000110
267L27.5Very low31.4Very low152 Ų152125.9 Ų125.980%0.79679%0.791SS**  trans-101.4176.6-171.6-59.5167.4000113.2
268P42.4Very low31.2Very low126 Ų126125.2 Ų125.282%0.81879%0.789SS**  -145.8161.388.337.3-19.7000118.6
269T28.6Very low29.9Very low121 Ų121124.9 Ų124.974%0.74279%0.785SS**  trans-54133.5170.1-450000113.1
270V28.4Very low29.8Very low129 Ų129127.2 Ų127.278%0.78278%0.78SS**  77.8111.156.4176.30000116.4
271V26.7Very low29.9Very low148 Ų148126.1 Ų126.190%0.89778%0.778SS**  trans-148.8150.4147.7173.80000108.5
272A29.1Very low30.4Very low84 Ų84126.3 Ų126.369%0.69478%0.782SS**  trans-146.3-171.9-179.700000108.6
273P44.8Very low30.2Very low116 Ų116125.3 Ų125.375%0.75378%0.775SS**  cis-108.7-150.3-4.234.5-14.3000111
274I28Very low30.3Very low149 Ų149127 Ų12776%0.76477%0.774SS**  cis-144.9141.59.115.1173.5000107.4
275S28.7Very low30.7Very low114 Ų114125.1 Ų125.180%0.79777%0.767SS**  79.6130.367.4-60.90000115.8
276A28.8Very low31.1Very low99 Ų99126.9 Ų126.982%0.81877%0.77SS**  cis-108.6-158.12.400000111.5
277A28.6Very low31.7Very low87 Ų87126.3 Ų126.372%0.71977%0.767SS**  cis-154.1163.7400000109.3
278R28.3Very low31.7Very low225 Ų225125.1 Ų125.185%0.84977%0.766SS**  cis78123.321.4-179.5-173.6177.5-169.9-2.2114.2
279T29.6Very low31Very low102 Ų102125.4 Ų125.463%0.62677%0.765SS**  cis-168.3172.1-826.20000106.7
280Q27Very low30.9Very low138 Ų138128.8 Ų128.865%0.64577%0.773SS**  cis-163.2179.75.6-125.4152-7.300110.4
281S30.3Very low30.9Very low108 Ų108128.2 Ų128.276%0.75577%0.774SS**  trans-109.2-165.2164.7-51.60000109.1
282P41.8Very low30.8Very low116 Ų116129.1 Ų129.175%0.75377%0.769SS**  cis-152.3-171.810.745.4-22.2000119.5
283V24.7Very low30.9Very low122 Ų122128.2 Ų128.274%0.73975%0.754SS**  trans70.2107.1142.3162.40000124.2
284I31.3Very low30.2Very low146 Ų146128.6 Ų128.675%0.74976%0.755SS**  50.1118.4125.9-53.1170.9000123.1
285S34.3Very low30.3Very low107 Ų107130 Ų13075%0.74876%0.758SS**  trans40.6140.7138.8-53.80000122.7
286P35.9Very low30.3Very low132 Ų132128.4 Ų128.486%0.85776%0.759SS**  -148.5-148.569.743.4-22.9000116
287T39.8Very low30.6Very low131 Ų131135.6 Ų135.680%0.80477%0.765SS**  trans-121.2164.4-161.8-440000113.1
288V28.1Very low31.6Very low128 Ų128137.2 Ų137.278%0.77677%0.768SS**  trans85.9134.9168.6-171.80000115.8
289T26.9Very low31.5Very low131 Ų131130.6 Ų130.680%0.80476%0.761SS**  trans-117.7123.6169.946.90000110.8
290H26.6Very low31.6Very low193 Ų193133.2 Ų133.289%0.89477%0.771SS**  trans-139.2154.5152.3-108-96.3000106.5
291S30.2Very low31.7Very low116 Ų116132 Ų13281%0.81177%0.773SS**  trans-143.2127.1-162.6550000113.3
292E23.4Very low31.7Very low168 Ų168134 Ų13479%0.78577%0.774SS**  trans-159.4170153.4-132.5-176.2127.800110
293V32Very low31Very low65 Ų65137.2 Ų137.239%0.39478%0.778SS.*  trans-144.2133.7-177.6-174.20000111.2S455V293-S455 WeakPolarHBondContact CG1-O 3.41Å
294T29.6Very low32.3Very low124 Ų124136.3 Ų136.376%0.76178%0.775SS**  trans-158.5147.9150.8-8.90000114
295H30.1Very low33.5Very low178 Ų178135 Ų13582%0.82478%0.776SS**  trans-39.1146.2176.5-57.477.9000118.6
296G28.2Very low34.1Very low81 Ų81135.9 Ų135.984%0.83578%0.779SS**  trans-177.3151.4165.100000114.8
297R34.7Very low33.9Very low250 Ų250133.7 Ų133.794%0.94377%0.772SS**  trans-117.9168.3176.2-103.6-162.8170.5-163-1.1111.8
298P51.5Low33.5Very low121 Ų121133.6 Ų133.679%0.78677%0.772SS**  trans-112.2164.3-148.141.6-38.2000118.5
299A25.7Very low33.6Very low85 Ų85133.8 Ų133.870%0.70277%0.773SS**  trans-155.4143.2155.700000107.3
300L31.3Very low33.6Very low157 Ų157130.4 Ų130.482%0.82276%0.764SS**  63.1129.561.4-58.3169.9000111.8
301T28.7Very low33.8Very low113 Ų113129.1 Ų129.169%0.69376%0.762SS**  cis-167.8173.89.5-6.30000112.9
302I30.4Very low33.5Very low149 Ų149131.6 Ų131.676%0.76476%0.761SS**  trans67.9109.9146.9-67.1159.5000121.3
303H28.2Very low33.8Very low185 Ų185134.3 Ų134.386%0.85676%0.764SS**  51.8168.8120-99.7-114000123.9
304P52.3Low34.1Very low103 Ų103136 Ų13667%0.66978%0.777SS**  trans-92.2-170.1-163.342-40.3000113.5
305P54.6Low33.9Very low118 Ų118137.9 Ų137.977%0.76678%0.777SS**  cis-130.2-140.912.638.5-13.2000111.7
306P47.3Very low33.8Very low125 Ų125134.1 Ų134.181%0.81277%0.766SS**  cis-133.5-140.8-644.2-22.4000115.2
307A32.6Very low33.6Very low87 Ų87135.2 Ų135.272%0.71976%0.761SS**  trans-149-170.1-178.500000113.1
308T31.3Very low33.2Very low129 Ų129134.3 Ų134.379%0.79176%0.758SS**  trans119.1145.1148.9-300000118.9
309V29.4Very low32.1Very low131 Ų131134.7 Ų134.779%0.79475%0.753SS**  trans70145.7166.7-159.90000117.3
310G27.7Very low32.1Very low61 Ų61135.6 Ų135.663%0.62976%0.755SS**  cis144.7156-13.200000115.3
311I29.5Very low32.1Very low166 Ų166131.7 Ų131.785%0.85175%0.745SS**  trans72.9160.9166.1-48.1170.6000115.7
312Q25.3Very low32.4Very low168 Ų168132.9 Ų132.979%0.78575%0.752SS**  -166.2171-61.5-165.217316.400109.9
313R29.5Very low32.4Very low224 Ų224136.3 Ų136.385%0.84576%0.755SS**  trans96.6166.1153.8-104.2-153.9-162.2102.73.2119
314P39Very low32.5Very low102 Ų102134.3 Ų134.366%0.66275%0.75SS**  -146.4-165.5-113.647-25.6000118.8
315Q25.5Very low31.3Very low162 Ų162135.3 Ų135.376%0.75775%0.754SS**  trans81.3107.7143.5-76.5-107.9-54.800123.6
316T26.2Very low30.1Very low99 Ų99137.3 Ų137.361%0.60776%0.757SS**  60.2125.912260.90000126
317S25.9Very low30.1Very low104 Ų104136.7 Ų136.773%0.72775%0.753SS**  97.2152.2123.676.60000123.9
318R26.3Very low29.9Very low232 Ų232138 Ų13888%0.87576%0.757SS**  trans71.1158.5160.3-75.2-166.7156.9140.3-5.6119.3
319D26.8Very low30Very low128 Ų128141 Ų14168%0.68476%0.762SS**  cis-175173-31-159.4-84.1000108.6
320S26.8Very low30.8Very low105 Ų105140.4 Ų140.473%0.73476%0.761SS**  trans71.1158.6154.2-72.70000121.1
321A30.1Very low31Very low74 Ų74141.9 Ų141.961%0.61277%0.767SS**  cis179.7175.4-30.700000110.8
322T35.5Very low31Very low138 Ų138143.3 Ų143.385%0.84777%0.772SS**  trans79.9157.9169.578.20000116.6
323R30.1Very low31.3Very low221 Ų221139 Ų13983%0.83477%0.773SS**  cis-174.5-168.9-22.8177.9168.9175.3-114.73.9107.8
324I30Very low31.3Very low144 Ų144132.8 Ų132.874%0.73877%0.77SS**  trans80.8144.9164.3-65.3176.9000115.9
325T27.8Very low30.7Very low124 Ų124135.9 Ų135.976%0.76178%0.775SS**  cis-164.7170.4-24-81.50000109.5
326L28.6Very low30.8Very low160 Ų160137.4 Ų137.484%0.83878%0.779SS**  trans-94.7-174.9179.1-83.7166.3000112.6
327P48.4Very low30.7Very low112 Ų112136.3 Ų136.373%0.72778%0.78SS**  cis-149-171.72040.5-16.5000119.8
328S27.4Very low30.6Very low115 Ų115139.6 Ų139.680%0.80478%0.784SS**  trans100.3147.3149.4-53.70000121.5
329H33.5Very low30.6Very low191 Ų191133.8 Ų133.888%0.88478%0.775SS**  trans-139.9150.7-171.3-109-67.9000115
330P47.8Very low31.2Very low119 Ų119132.2 Ų132.277%0.77377%0.771SS**  trans-122.7173.5157.239.8-28.3000113.8
331A32.1Very low31.3Very low92 Ų92135.5 Ų135.576%0.7678%0.775SS**  trans-161.4172.4179.200000116.1
332M29.4Very low31.2Very low195 Ų195137.3 Ų137.396%0.96178%0.778SS**  trans73154172.6-49.5-159.6-62.100117.1
333G29.8Very low31Very low77 Ų77138.7 Ų138.779%0.79478%0.777SS**  cis178.4-173.8-0.800000109.5
334A30.4Very low31Very low95 Ų95131.5 Ų131.579%0.78577%0.765SS**  cis-173-171.8-14.700000110.2
335Q26.9Very low30.9Very low167 Ų167131.6 Ų131.678%0.7876%0.762SS**  trans80.3122.2156.4-66-77.8-28.400123.8
336K26.6Very low30.9Very low193 Ų193133.9 Ų133.984%0.83976%0.762SS**  68.9160.9126.6-159.2176.8-177.2179.80121.2
337A24.9Very low31.1Very low76 Ų76131.1 Ų131.163%0.62875%0.754SS**  -164.5162.8-5600000111.4
338Q22.5Very low30.2Very low174 Ų174132.8 Ų132.881%0.81376%0.755SS**  trans60.8124.1151.3-92.9-174.3-88.900123.5
339T27.6Very low30.2Very low110 Ų110135.2 Ų135.268%0.67575%0.751SS**  38.1151.4121.362.70000121.2
340P38.2Very low29.8Very low94 Ų94130.5 Ų130.561%0.6174%0.739SS**  cis-161.7-178.243.947.6-26.3000121.4
341H29.6Very low28.7Very low175 Ų175131.1 Ų131.181%0.8174%0.741SS**  trans67.7154.7150.8-62.9-32.4000119.4
342T29.1Very low28.5Very low111 Ų111133.2 Ų133.268%0.68174%0.744SS**  cis-173.4146.5-14.9-89.90000105.1
343M30.9Very low28.5Very low168 Ų168129.8 Ų129.883%0.82873%0.734SS**  -166.5170.150.1-138.9-23.2174.800111.6
344A28.8Very low29.2Very low70 Ų70131 Ų13158%0.57973%0.728SS**  trans24.4141.8146.300000123.1
345Q27.6Very low29Very low146 Ų146133.1 Ų133.168%0.68273%0.731SS**  cis-163.7128.7-3.3-114.2-173.7107.600112.5
346K29.1Very low28.9Very low171 Ų171129.1 Ų129.174%0.74373%0.727SS**  trans62.1154.4142.6-65.5171.3-178.51610121.3
347P31.8Very low28.9Very low103 Ų103124.8 Ų124.867%0.66973%0.727SS**  cis-141.7158.6-42.638.8-22.9000114.9
348I29.7Very low29.1Very low146 Ų146125 Ų12575%0.74973%0.729SS**  trans66.5136.1155.8-74.9169.7000115.9
349F27.6Very low29.3Very low167 Ų167123 Ų12373%0.73273%0.729SS**  cis-160.3-172-10.5-117.1-25.8000106.7
350S24.4Very low29.3Very low91 Ų91124.2 Ų124.264%0.63674%0.736SS**  cis-152.8157.63.3-1520000110
351T24.8Very low28.7Very low132 Ų132123.7 Ų123.781%0.8174%0.739SS**  trans-146.6141.9174-54.70000112.1
352V29.1Very low29.3Very low136 Ų136120.8 Ų120.882%0.82474%0.736SS**  trans-108131.9173.7169.80000110.6
353T29.1Very low29.1Very low123 Ų123122.4 Ų122.476%0.75574%0.739SS**  trans175.4170.5156.3130000109.8
354P44.7Very low28.9Very low102 Ų102120.9 Ų120.966%0.66274%0.739SS**  cis-137.3-173.8-17.433.6-12.8000114.3
355V25Very low28.8Very low141 Ų141120.8 Ų120.886%0.85574%0.738SS**  trans67.4151.1138.4148.80000120.1
356A26.6Very low28.8Very low82 Ų82120.6 Ų120.668%0.67875%0.747SS**  cis-171.8178.4-32.900000110.1
357A26.4Very low28.7Very low102 Ų102119.1 Ų119.184%0.84375%0.747SS**  trans71.9162.5164.200000116.4
358A28.2Very low28.5Very low82 Ų82120 Ų12068%0.67875%0.751SS**  cis-152.5161.3400000112.8
359T27.4Very low28.5Very low131 Ų131119.4 Ų119.480%0.80475%0.754SS**  trans46132.3143.1-33.40000119.9
360V27.7Very low29.1Very low136 Ų136116.6 Ų116.682%0.82475%0.752SS**  -173.5157.184.6162.10000110.2
361A24.4Very low29.2Very low83 Ų83117 Ų11769%0.68676%0.755SS**  trans-137-173.4172.600000108.9
362P42.1Very low29.5Very low113 Ų113116.4 Ų116.473%0.73475%0.752SS**  cis-140.2-136.26.536.8-10.9000113.8
363I26Very low29.5Very low145 Ų145116.3 Ų116.374%0.74475%0.751SS**  trans89.4102166.3-60.6164.3000114.8
364V26.3Very low29.6Very low137 Ų137115.9 Ų115.983%0.8375%0.749SS**  79.914282157.30000113.7
365A26.8Very low28.9Very low68 Ų68119.2 Ų119.256%0.56276%0.759SS**  cis-172.9173.8-25.800000109.6
366T27.1Very low29.2Very low142 Ų142115.8 Ų115.887%0.87175%0.753SS**  trans60.3170.7160.844.90000118.2
367N26.8Very low29.3Very low139 Ų139117.6 Ų117.674%0.74376%0.76SS**  cis-174.1176.3-40.7-17111.6000107.2
368T27.7Very low29.7Very low123 Ų123119.3 Ų119.376%0.75576%0.76SS**  trans79.5125.3158.67.90000120.7
369V30.5Very low30.9Very low133 Ų133121 Ų12181%0.80676%0.763SS**  trans-81.8-174.2150.6-110.90000109.2
370P40.7Very low30.9Very low107 Ų107123 Ų12370%0.69576%0.764SS**  cis-141.4-163.21031-4000116.2
371S26.3Very low31Very low101 Ų101121.7 Ų121.771%0.70676%0.756SS**  trans105.5112.2132.3-76.30000124.1
372T30.7Very low31.2Very low119 Ų119126 Ų12673%0.7376%0.762SS**  trans50.4141.5130.3-159.50000124.6
373T29Very low30.5Very low133 Ų133128.5 Ų128.582%0.81677%0.766SS**  -176176.7120.5-70.40000111.1
374T31.9Very low30.6Very low115 Ų115127 Ų12771%0.70676%0.764SS**  trans-144.1-178.9-151.1-49.60000114.1
375I30.1Very low30.8Very low172 Ų172125.4 Ų125.488%0.88276%0.758SS**  trans90.4143170-51.5167000114
376G31.3Very low30.9Very low69 Ų69127.1 Ų127.171%0.71177%0.767SS**  cis-116.5-130.10.500000114
377S28.8Very low31.3Very low119 Ų119126 Ų12683%0.83276%0.76SS**  cis-169165.8-2.947.50000111
378V34Very low31.6Very low139 Ų139127.7 Ų127.784%0.84277%0.767SS**  trans-145.8-176.7-168.7-142.20000113.8
379P54Low31.6Very low116 Ų116127.3 Ų127.375%0.75376%0.764SS**  -117.7174.2-97.841.9-27.2000118.4
380H27.4Very low31.7Very low175 Ų175126.5 Ų126.581%0.8176%0.759SS**  trans-158-177.1141-152.552.6000114.3
381T29.5Very low31Very low108 Ų108128.5 Ų128.566%0.66377%0.77SS**  trans-116.3175-162.848.80000116.8
382Q27.8Very low31.3Very low172 Ų172129 Ų12980%0.80477%0.769SS**  trans107.4116.3160.2-87.6-159.933.900120.9
383M27Very low31.3Very low166 Ų166130.9 Ų130.982%0.81877%0.771SS**  58139121.5-115.6173.1-17600124.4
384T28.5Very low31.7Very low114 Ų114129.5 Ų129.570%0.69976%0.764SS**  trans97.4105.2140.1-56.30000121.5
385S30.3Very low31.4Very low103 Ų103128 Ų12872%0.7276%0.758SS**  trans58.2128.2134.3-58.50000125.7
386S30.6Very low31.4Very low105 Ų105128.4 Ų128.473%0.73476%0.756SS**  76.6113.3128.6-62.70000123.4
387T34.2Very low31.2Very low118 Ų118129.9 Ų129.972%0.72476%0.756SS**  52124116.6-48.50000121.5V389T387-V389 HydrophobicContact CG2-CG2 4.36Å
388I33.2Very low31.1Very low174 Ų174129.6 Ų129.689%0.89275%0.752SS**  trans-156.9157.2135.9-103.5151.1000109.3
389V28.7Very low30.9Very low116 Ų116132 Ų13270%0.70375%0.754SS**  trans-140.8155-166-164.40000111.8T387T387-V389 HydrophobicContact CG2-CG2 4.36Å
390T31.4Very low29.5Very low115 Ų115130.7 Ų130.771%0.70675%0.753SS**  trans79.2124.31590.60000120.1
391V26.3Very low29.6Very low150 Ų150128.9 Ų128.991%0.90976%0.755SS**  trans-153.1154.9156.8-96.50000108.8
392T32Very low29.4Very low112 Ų112128.3 Ų128.369%0.68776%0.761SS**  trans-151.3131.5-143.1-57.30000115.5
393M30.7Very low29.2Very low157 Ų157123.9 Ų123.977%0.77375%0.754SS**  trans67.2176.2158.8-68.8-81.5-90.800117.9
394P38.2Very low29.2Very low105 Ų105122.7 Ų122.768%0.68276%0.756SS**  cis-131.2158.1-17.4195.3000117.6
395S26.4Very low29.2Very low83 Ų83122.8 Ų122.858%0.5876%0.756SS**  trans13165.4140.4-540000126.9
396H29Very low28.9Very low181 Ų181122.5 Ų122.584%0.83876%0.755SS**  trans89.6147.3159.4-49.2-68000117.9
397S27.9Very low28.8Very low100 Ų100123.2 Ų123.270%0.69976%0.755SS**  cis-167.3159.5-19.41790000112.6
398C26.2Very low28.7Very low113 Ų113124.3 Ų124.376%0.76475%0.754SS**  trans51.5135.5152.864.70000126
399H28.9Very low29.2Very low189 Ų189121.2 Ų121.288%0.87575%0.746SS**  trans-17.8146.9157.8-75.3-103.3000121.2
400A26.3Very low29Very low89 Ų89122 Ų12274%0.73675%0.75SS**  168.813097.400000116.9
401T27.7Very low28.9Very low137 Ų137120.8 Ų120.884%0.8475%0.752SS**  trans42.5149.2130.5-370000124.6
402A25.8Very low28.8Very low96 Ų96123.2 Ų123.279%0.79375%0.75SS**  trans88.2158.4154.500000119.7
403A24.4Very low28.5Very low79 Ų79124 Ų12465%0.65376%0.755SS**  cis-173.3154.6-35.300000111.5
404T26.9Very low28.6Very low140 Ų140123 Ų12386%0.85976%0.758SS**  trans60.2171167.149.10000116.3
405T27.3Very low28.6Very low116 Ų116122.6 Ų122.671%0.71276%0.755SS**  cis-143.9138.67.6124.70000108
406S25Very low29Very low98 Ų98125.8 Ų125.869%0.68576%0.761SS**  88.3159.967.5-1560000115
407T29.2Very low29.4Very low120 Ų120122.6 Ų122.674%0.73676%0.756SS**  trans80.3109.3178.8-33.60000114.1
408I31.4Very low29.5Very low140 Ų140123.4 Ų123.472%0.71875%0.751SS**  cis72.3138.618.4-51.1175.6000113.6
409P42.9Very low29.5Very low110 Ų110122.2 Ų122.271%0.71475%0.749SS**  cis-112.9-170.6-2.722.52000112.4
410V26.2Very low29.4Very low132 Ų132121.3 Ų121.380%0.875%0.745SS**  174.8144.471.2162.10000106.4
411A27.8Very low29.5Very low90 Ų90122.5 Ų122.574%0.74475%0.748SS**  cis-162.3-175.2-1700000111.1
412K25.4Very low29.4Very low200 Ų200120.1 Ų120.187%0.8774%0.737SS**  trans-41.5158.3176.9-59.2171.3178174.10114.6
413V25.3Very low29.4Very low129 Ų129120 Ų12078%0.78273%0.73SS**  -153.115450.9170.20000113.4
414V32.3Very low29.6Very low137 Ų137127.2 Ų127.283%0.8374%0.741SS**  trans-131.8132.9173.2165.40000106.9
415P38.3Very low29.7Very low96 Ų96126.6 Ų126.662%0.62374%0.737SS**  -151.6177.794.140-19.8000118.1
416Q34.1Very low29.6Very low150 Ų150130 Ų13070%0.70174%0.744SS**  trans-80.2171.3176.8-123.9-175.52000112.4
417P37.8Very low29.7Very low114 Ų114129.8 Ų129.874%0.7475%0.748SS**  -148.8146.559.738.2-16.9000120.1
418I30.5Very low29.5Very low116 Ų116133.1 Ų133.160%0.59576%0.756SS**  trans20.1122.4130.2-53.4172.6000116.5
419A26Very low29.3Very low88 Ų88137.5 Ų137.573%0.72777%0.765SS**  -162.3125.480.600000117.9
420H27.6Very low28.4Very low170 Ų170138.3 Ų138.379%0.78777%0.773SS**  trans33.3111.7141.6-45.4-61.2000122.6
421S28.1Very low28.6Very low114 Ų114135.5 Ų135.580%0.79777%0.771SS**  -155.9157.3118.655.70000112.7
422S24.7Very low28.6Very low88 Ų88138.3 Ų138.362%0.61577%0.769SS**  trans-133.6164.2171.8-530000107.1Y926S422-Y926 WeakPolarHBondContact O-CE1 3.27Å
423S26.6Very low28.8Very low93 Ų93138.6 Ų138.665%0.6576%0.764SS**  cis-162.8-172.626.3-40.40000110.1
424R29Very low28.9Very low231 Ų231136 Ų13687%0.87276%0.756SS**  trans75.4108.9158.3-178.4179.5-73.9-148.8-3.4114.5
425V28.6Very low28.8Very low127 Ų127137 Ų13777%0.7776%0.756SS**  67.7105.556.2-177.50000113.5
426Q24.5Very low28.5Very low187 Ų187139.7 Ų139.787%0.87477%0.765SS**  -162.9171.4103.6-161.6150.9-18.400110
427A28.7Very low28.7Very low93 Ų93138.7 Ų138.777%0.76976%0.763SS**  trans-76.4150.1-178.900000113.2
428E24.3Very low28.5Very low191 Ų191139.4 Ų139.489%0.89377%0.768SS**  trans-87.2145168.7-71.1-179.9107.800112.1
429Y26.4Very low28.8Very low231 Ų231140.6 Ų140.691%0.90677%0.774SS**  trans-154.3118.3161-122-80.7000106.6
430S25Very low29.2Very low128 Ų128142.6 Ų142.690%0.89578%0.779SS**  trans-168.4144.2175.4-84.70000113.4
431G30.2Very low29.2Very low72 Ų72137.4 Ų137.474%0.74277%0.772SS**  trans85.3147.7159.100000116.3
432E27.8Very low29.2Very low150 Ų150140.4 Ų140.470%0.70177%0.773SS**  cis-160164.6-1.5-87.3-154.512000107
433R30.3Very low29.4Very low206 Ų206147.1 Ų147.178%0.77779%0.785SS**  cis-161.3-1793.2-110.9168.6-162.916622.7105.5
434A26.8Very low29.4Very low74 Ų74147.7 Ų147.761%0.61279%0.789SS**  cis175-179.7-37.400000108.2
435N30.8Very low29.3Very low157 Ų157142.1 Ų142.184%0.8479%0.785SS**  trans76.4157.3-179.6-56.1-19.6000114.6
436L31.3Very low30.1Very low154 Ų154141.8 Ų141.881%0.80679%0.786SS**  cis-144.5-162.2-3.3-133.8173.2000110.1
437I37.6Very low30.4Very low128 Ų128140 Ų14066%0.65678%0.782SS**  trans-144.5163-178.7-22178000109.8I439I437-I439 HydrophobicContact CG2-CG1 4.2Å
438P34.3Very low30.9Very low129 Ų129141.1 Ų141.184%0.83878%0.781SS**  -141.6171.194.838.6-24.5000115.5
439I35.4Very low31.2Very low142 Ų142137.8 Ų137.873%0.72877%0.774SS**  trans-113.9159.3176.9-23.8176.6000109I437I437-I439 HydrophobicContact CG2-CG1 4.2Å
440P35.5Very low31.3Very low129 Ų129132.1 Ų132.184%0.83876%0.763SS**  -156.2145.998.537.4-18000118.8
441G27.7Very low31.3Very low61 Ų61133.1 Ų133.163%0.62976%0.756SS**  trans69.8178.7150.400000120
442H28.6Very low31.5Very low178 Ų178136.7 Ų136.782%0.82475%0.753SS**  cis-178.1143.2-38.5-116.7-65000108.9
443R27.6Very low31.5Very low228 Ų228134.7 Ų134.786%0.8675%0.751SS**  trans66.7164.5170.5-61.7177.9180-86.62.2115.4
444S27.3Very low31.5Very low105 Ų105134.8 Ų134.873%0.73475%0.752SS**  cis-163.2170.7-25.5-95.30000110.6
445S25.8Very low31.8Very low115 Ų115133.2 Ų133.280%0.80474%0.736SS**  trans-67.1170.2166.2-148.40000112.5
446P46.9Very low31.8Very low119 Ų119130.7 Ų130.777%0.77372%0.723SS**  cis-143.7-165.312.943.8-21.8000118.3
447N29.7Very low31.7Very low150 Ų150130.8 Ų130.880%0.80272%0.724SS**  trans-65160.6171-86.6-3.7000114.9
448P39.3Very low31.4Very low116 Ų116134.4 Ų134.475%0.75373%0.73SS**  -149.5157.56935.3-11.7000118.8
449V30.4Very low31.5Very low122 Ų122134.1 Ų134.174%0.73973%0.728SS**  63.8133.187.6-156.40000115.1
450T30.1Very low31.1Very low111 Ų111131 Ų13168%0.68172%0.719SS**  177.6163.568.6-300000114.8
451M25Very low30.6Very low149 Ų149131.4 Ų131.473%0.73472%0.718SS**  trans67.2163.3157.6-53.5-48.8-88.900123.1
452E33.7Very low31.6Very low147 Ų147133.7 Ų133.769%0.68772%0.722SS**  -173173.8-53.2-134.4-145.6124.800114.2
453T28.1Very low31.7Very low108 Ų108131.3 Ų131.366%0.66372%0.719SS**  trans81.7171.5167.174.90000121
454R28.7Very low31.8Very low209 Ų209128.3 Ų128.379%0.78972%0.715SS**  -171142.7-54.6175.5174166.7-172.9-4.4116.7
455S33.6Very low31.9Very low41 Ų41130.4 Ų130.429%0.28772%0.718SS.*  trans84.1118.9147.9-86.90000127.7V293V293-S455 WeakPolarHBondContact CG1-O 3.41Å
456D31.3Very low32Very low104 Ų104130.1 Ų130.156%0.55670%0.704SS**  94.2141.9120.1-81.7-73.3000129.7
457N30Very low31.2Very low155 Ų155135.2 Ų135.283%0.82971%0.709SS**  trans93156.6146.4-94-58.5000126.6
458R31.1Very low31.1Very low205 Ų205136.2 Ų136.277%0.77471%0.706SS**  trans-138.2161-160.7-148.8-160.8-174.4179.14.3114.1
459P35.1Very low30.6Very low123 Ų123138.2 Ų138.280%0.79971%0.71SS**  -147-144.5109.439.4-20.8000115.8
460S26.8Very low30.8Very low77 Ų77138 Ų13854%0.53871%0.711SS.*  trans-157.5148.4-148.9-60.90000118.4
461V26.5Very low30.7Very low137 Ų137137.3 Ų137.383%0.8372%0.716SS**  trans74.3159.7139.6171.80000119.2
462P49Very low30.8Very low108 Ų108141.8 Ų141.870%0.70173%0.727SS**  cis-127.2177.9-12.425.6-2.5000116.9
463V30.3Very low30.5Very low128 Ų128140 Ų14078%0.77673%0.731SS**  159.8147118.7165.70000114.6
464Q29Very low30.4Very low166 Ų166140.2 Ų140.278%0.77674%0.737SS**  trans-46.3175.6179.3-59.6170.2-2.800117.8
465L29.4Very low30.4Very low149 Ų149133.5 Ų133.578%0.7872%0.722SS**  cis-138176.428.1-91.390.7000114.8
466Q27.7Very low30.3Very low109 Ų109142.1 Ų142.151%0.50975%0.75SS.*  trans-142.1139.1-176.5173.6173.527.800112
467Y29.6Very low30.6Very low225 Ų225142.1 Ų142.188%0.88276%0.755SS**  trans-143.9164160.2-91.5-72.2000111.8
468F28.2Very low30.6Very low171 Ų171141.5 Ų141.575%0.7575%0.751SS**  trans-150.5143.6-160.3-151.8-84.8000110.7
469L28.7Very low30.5Very low159 Ų159137 Ų13783%0.83275%0.747SS**  trans-141.2159.7170.2-85.9174.7000109.8
470P34.4Very low30.3Very low117 Ų117140.6 Ų140.676%0.7675%0.753SS**  trans-95.6162.5-143.1-6.927.1000115.5
471A28.7Very low30.4Very low96 Ų96142.8 Ų142.879%0.79376%0.763SS**  trans-91.4134.3173.100000112
472Y26.9Very low30.4Very low243 Ų243145.6 Ų145.695%0.95376%0.76SS**  trans-120.4141.5154.9-107.1-91.4000108.3
473S26.4Very low29.7Very low111 Ų111146 Ų14678%0.77676%0.76SS**  trans-103.9138.3-177.2-173.10000111.3
474S27Very low29.9Very low112 Ų112145.1 Ų145.178%0.78376%0.757SS**  trans-153.8143.3160.1-169.20000109.8
475S28.5Very low29.9Very low68 Ų68144.7 Ų144.748%0.47676%0.759SS.*  trans-109.7121.7-158.3-58.70000113.5
476Y32.1Very low29.9Very low221 Ų221143.3 Ų143.387%0.86776%0.761SS**  trans-86.7137.7161.2-88.5-96.3000111
477P36.6Very low29.7Very low104 Ų104142.8 Ų142.868%0.67577%0.77SS**  trans-103.899.915332.8-24.1000109.9
478L30.2Very low29.9Very low142 Ų142137.7 Ų137.774%0.74376%0.764SS**  trans-106.8123.3176.2-171.468.6000111.1
479T29.3Very low29.8Very low111 Ų111135.9 Ų135.968%0.68177%0.767SS**  trans26.7109.5163.861.70000119.1T481T479-T481 PolarHBondContact O-N 3.25Å
480H31.6Very low29.8Very low199 Ų199133.5 Ų133.592%0.92176%0.764SS**  trans-78.2110.2151.6-85.7-63.4000110.6Y482H480-Y482 PolarHBondContact O-N 3.04Å; H480-Y482 VanDerWaalsContact O-N 3.16Å
481T28.7Very low29.7Very low122 Ų122134 Ų13475%0.74876%0.764SS**  trans-65.6108.3169-57.70000110.2T479 T483T479-T481 PolarHBondContact O-N 3.25Å; T481-T483 PolarHBondContact O-N 2.67Å
482Y27Very low29.7Very low197 Ų197136.5 Ų136.577%0.77376%0.763SS**  trans-87.5103.9175.2-170.6-89.3000110.4H480 P484H480-Y482 PolarHBondContact O-N 3.04Å; H480-Y482 VanDerWaalsContact O-N 3.16Å; Y482-P484 WeakPolarHBondContact O-CD 3.26Å
483T33.8Very low29.9Very low116 Ų116134.4 Ų134.471%0.71275%0.754SS**  trans-76118.3171.344.50000110.4T481T481-T483 PolarHBondContact O-N 2.67Å
484P33.3Very low29.9Very low109 Ų109137.8 Ų137.871%0.70876%0.757SS**  trans-72.8131.9-17729.1-34.5000111.8Y482 S486Y482-P484 WeakPolarHBondContact O-CD 3.26Å; P484-S486 PolarHBondContact O-N 2.77Å; P484-S486 VanDerWaalsContact O-N 3.15Å
485I29.3Very low29.8Very low158 Ų158141.7 Ų141.781%0.8176%0.756SS**  trans-76.4102171.6-61.6177.5000108.6
486S29.1Very low29.9Very low119 Ų119144.2 Ų144.283%0.83277%0.77SS**  trans-69.9135.6171-172.50000111.1P484P484-S486 PolarHBondContact O-N 2.77Å; P484-S486 VanDerWaalsContact O-N 3.15Å
487S24.5Very low29.7Very low99 Ų99140 Ų14069%0.69277%0.767SS**  trans-146.2140.9178.7-178.20000107.3
488P34.1Very low29.5Very low118 Ų118141 Ų14177%0.76677%0.772SS**  trans-81.6132.4-13127.5-36.3000115.7
489V26.7Very low29.5Very low133 Ų133140.3 Ų140.381%0.80678%0.776SS**  trans-83130.7153.1170.90000108.6T491V489-T491 PolarHBondContact O-N 2.99Å
490S27.3Very low29.3Very low109 Ų109143.6 Ų143.676%0.76278%0.783SS**  trans-73.6104174.3-62.80000111.1I492S490-I492 PolarHBondContact O-N 3.09Å
491T33.2Very low29.4Very low126 Ų126137.9 Ų137.977%0.77377%0.771SS**  trans-68.896.8169.1-53.10000110.4V489 R493V489-T491 PolarHBondContact O-N 2.99Å; T491-R493 PolarHBondContact O-N 3.26Å
492I29.1Very low29.6Very low149 Ų149138.1 Ų138.176%0.76478%0.775SS**  trans-68113.4159.6-69.7176.9000107.2S490 Q494S490-I492 PolarHBondContact O-N 3.09Å; I492-Q494 PolarHBondContact O-N 2.74Å
493R30.1Very low29.6Very low200 Ų200134.2 Ų134.276%0.75578%0.776SS**PPolyproline II helixtrans-67.6117161.9-87.7-177.6166.7-971.7108.2T491 Y495T491-R493 PolarHBondContact O-N 3.26Å; R493-Y495 PolarHBondContact O-N 2.76Å
494Q26.3Very low29.3Very low181 Ų181134.6 Ų134.685%0.84678%0.783SS**PPolyproline II helixtrans-64.1127.5157.2-67.1174.7-10.400107.7I492I492-Q494 PolarHBondContact O-N 2.74Å
495Y26.2Very low28.8Very low195 Ų195133.8 Ų133.877%0.76579%0.786SS**PPolyproline II helixtrans-92.9135.8163.3-83.4-89.1000108.1R493R493-Y495 PolarHBondContact O-N 2.76Å
496P30Very low28.7Very low120 Ų120134.3 Ų134.378%0.77979%0.789SS**PPolyproline II helixtrans-70.3137.6174.130.1-33.7000110.1
497V28.1Very low29.3Very low132 Ų132134 Ų13480%0.878%0.784SS**  trans-127.6104.2168.4178.30000107.8
498T30.8Very low29.4Very low126 Ų126133.9 Ų133.977%0.77379%0.79SS**  trans-78.8145.8162.336.90000109.6
499P30.5Very low29.1Very low127 Ų127137.8 Ų137.883%0.82580%0.798SS**  -130.9168107.737.4-30.3000112.7
500Q24.8Very low29.2Very low180 Ų180136.4 Ų136.484%0.84180%0.8SS**  trans-129.5123.8-166.8172.9177.6-3300113.7
501A35.2Very low29.3Very low79 Ų79134.7 Ų134.765%0.65380%0.799SS**  trans61.6-178.515700000116.2
502P32.4Very low29.2Very low128 Ų128136.3 Ų136.383%0.83181%0.809SS**  cis-97-176.616.139.6-36.4000115.7
503S27Very low29.3Very low115 Ų115132.8 Ų132.880%0.80481%0.809SS**  trans-142.2151-175.1-50.50000113.5
504S26.5Very low29.5Very low124 Ų124130.2 Ų130.287%0.86782%0.815SS**  trans-174.2153.2143.1-138.40000108.8
505A23.9Very low29.7Very low91 Ų91125.9 Ų125.975%0.75281%0.811SS**  cis-141.6-175.68.200000112.6
506L27.2Very low29.9Very low169 Ų169122.8 Ų122.889%0.88581%0.812SS**  trans-99.3-176.4-175.7-66.3170.6000111.4
507P40.6Very low30.1Very low113 Ų113123.4 Ų123.473%0.73481%0.814SS**  cis-142.4176.77.843.8-25.4000118.9
508A26.8Very low30.3Very low97 Ų97122.9 Ų122.980%0.80281%0.81SS**  trans66.9154.2155.200000119.1
509Q28.2Very low30.4Very low200 Ų200124.4 Ų124.494%0.93581%0.809SS**  cis-140.3-171-10.5-144.5-176.3-6.700109.9
510A29.2Very low30.7Very low103 Ų103124.9 Ų124.985%0.85180%0.803SS**  trans-115152.4-166.600000115.4
511G29.1Very low31Very low73 Ų73123 Ų12375%0.75380%0.799SS**  trans17598.9170.700000116.8
512V30.1Very low31Very low161 Ų161127.9 Ų127.998%0.97681%0.808SS**  trans30.1123.4151.1-169.10000120.7
513G32.1Very low31.1Very low74 Ų74129.8 Ų129.876%0.76381%0.808SS**  trans166.3125.2157.400000114.2
514V34.4Very low31.4Very low147 Ų147133.1 Ų133.189%0.89181%0.811SS**  trans-112.3115.5-177.4178.70000111.6
515A30.6Very low31.9Very low90 Ų90134.9 Ų134.974%0.74481%0.81SS**  trans-16095.7163.900000111.7
516T30.8Very low32.2Very low130 Ų130139.4 Ų139.480%0.79882%0.818SS**  trans-91.898.8173.949.40000111.5V518T516-V518 PolarHBondContact O-N 3.16Å
517T33.6Very low32.5Very low133 Ų133138.1 Ų138.182%0.81682%0.817SS**  trans-81.9108.3169.545.20000110.5H519T517-H519 PolarHBondContact O-N 3.2Å
518V32.3Very low32.3Very low120 Ų120139.4 Ų139.473%0.72782%0.822SS**  trans-80.683.7-179.2-174.80000110.3T516 L520T516-V518 PolarHBondContact O-N 3.16Å; V518-L520 HydrophobicContact CG1-CD1 4.31Å; V518-L520 HydrophobicContact CG1-CG 4.25Å; V518-L520 PolarHBondContact O-N 3.18Å
519H32.6Very low32.5Very low159 Ų159140.7 Ų140.774%0.73682%0.816SS**  trans-70116.8173.7173.2-93.5000111.1T517T517-H519 PolarHBondContact O-N 3.2Å
520L37.6Very low32.7Very low136 Ų136142.6 Ų142.671%0.71281%0.814SS**  trans-117.5141.7175.3-77.5168.8000111.6V518V518-L520 HydrophobicContact CG1-CD1 4.31Å; V518-L520 HydrophobicContact CG1-CG 4.25Å; V518-L520 PolarHBondContact O-N 3.18Å
521N30.9Very low33Very low142 Ų142145 Ų14576%0.75981%0.811SS**  trans-65137.4-167.5-79.1-82.6000113.9M523N521-M523 PolarHBondContact O-N 3.07Å
522H36Very low32.9Very low180 Ų180145.1 Ų145.183%0.83381%0.813SS**  trans-76115162-83.556.3000110.3Q524H522-Q524 PolarHBondContact O-N 2.89Å
523M33Very low33Very low168 Ų168145.2 Ų145.283%0.82881%0.807SS**  trans-73.4107.3166.7-85.2-65.8-59.600109.8N521 L525N521-M523 PolarHBondContact O-N 3.07Å; M523-L525 PolarHBondContact O-N 2.86Å
524Q34.5Very low33.4Very low185 Ų185147.3 Ų147.386%0.86481%0.807SS**  trans-65113.5174.1-70.3176-33.400110.7H522H522-Q524 PolarHBondContact O-N 2.89Å
525L35.8Very low33.1Very low161 Ų161146.4 Ų146.484%0.84381%0.807SS**PPolyproline II helixtrans-78.1134.3161.5-114.976000109.1M523 T527M523-L525 PolarHBondContact O-N 2.86Å; L525-T527 PolarHBondContact O-N 3.18Å
526M30.8Very low33Very low187 Ų187146.8 Ų146.892%0.92181%0.81SS**PPolyproline II helixtrans-71.3117.3177.3-69.6-177.8172.100110.8
527T34Very low32.8Very low141 Ų141149.4 Ų149.487%0.86581%0.813SS**PPolyproline II helixtrans-69.6137165.437.50000110.2L525L525-T527 PolarHBondContact O-N 3.18Å
528V36.6Very low32.6Very low140 Ų140151.1 Ų151.185%0.84882%0.816SS**PPolyproline II helixtrans-99.6124.1173.4174.90000108.3
529D31.4Very low32.2Very low125 Ų125149.9 Ų149.967%0.66881%0.812SS**PPolyproline II helixtrans-63.2137.1175.6177.6-97.4000112.4
530R32Very low32.1Very low240 Ų240148.9 Ų148.991%0.90682%0.818SS**  trans-165.7131.6148.3-115171.1-168.9-115.3-3.1112.5
531I34.1Very low31.6Very low153 Ų153151.3 Ų151.379%0.78583%0.826SS**  trans-89.6142-178.4-60.6165.5000111.1
532G28.3Very low31.6Very low76 Ų76147.8 Ų147.878%0.78482%0.823SS**  trans-177.299.3174.900000114.1
533L31.2Very low31.3Very low162 Ų162147.8 Ų147.885%0.84883%0.827SS**  trans-72.4173.8179.5-72.8165.8000113.9
534P41.3Very low31.1Very low118 Ų118147 Ų14777%0.76682%0.821SS**  cis-133.9172.6-2634.7-18.1000113.9
535S28Very low31.1Very low129 Ų129144.2 Ų144.290%0.90282%0.819SS**  trans-161.4167.4138.8-1520000113.1
536A28.9Very low30.8Very low97 Ų97139.9 Ų139.980%0.80281%0.806SS**  trans-79160.2-158.800000117.2
537Q25.8Very low31.2Very low185 Ų185137 Ų13786%0.86480%0.802SS**  trans-76.5156.5164.4-60.9168.3-97.100111.2
538I28.8Very low30.9Very low169 Ų169138.5 Ų138.587%0.86780%0.803SS**  trans-118.3139.5150.9-66.4179.5000107.2
539S24.3Very low30.6Very low94 Ų94136.6 Ų136.666%0.65780%0.802SS**  trans-113.2135.7-176.4-1790000110.7
540T30.8Very low30.5Very low138 Ų138135.2 Ų135.285%0.84781%0.808SS**  trans-134.7101.8163.251.40000108.3
541Q28.2Very low30.4Very low188 Ų188133.6 Ų133.688%0.87981%0.81SS**  trans-85.9144.8163.8-70.4-162.427.500109.6
542G29.5Very low30.1Very low68 Ų68129.4 Ų129.470%0.70181%0.805SS**  trans-179.999.5175.700000113.6
543I29.5Very low30.1Very low179 Ų179134.5 Ų134.592%0.91881%0.813SS**  trans75.4127.6159.6-54162.2000116.2
544Q29.3Very low29.8Very low152 Ų152135.2 Ų135.271%0.7181%0.812SS**  trans-112.8164.2171.1-161.3-152.799.400108.2
545P34.3Very low30.1Very low126 Ų126134.5 Ų134.582%0.81881%0.807SS**  -138.2163.7120.236.4-25.1000115.1
546A29.3Very low30Very low70 Ų70132.5 Ų132.558%0.57980%0.798SS**  trans-92.5163.7-175.200000113.3
547P39.3Very low29.9Very low128 Ų128136 Ų13683%0.83180%0.798SS**  trans-82.6154.9178.534.4-36.2000113.3
548I29Very low30Very low171 Ų171134.8 Ų134.888%0.87780%0.796SS**  trans-131.4147.8173.9-64.9-177.9000109.7
549A28.4Very low30Very low100 Ų100129.5 Ų129.583%0.82678%0.783SS**  trans-91.8177.8-170.200000114.3
550A31.2Very low30.3Very low97 Ų97131.1 Ų131.180%0.80279%0.789SS**  trans-113128.7-17400000114.4
551Q29.3Very low30.1Very low205 Ų205134 Ų13496%0.95879%0.792SS**  trans-153.5151.6155.2-64.9-168.4-14.600106.2
552G27.1Very low30.1Very low65 Ų65128.6 Ų128.667%0.6779%0.787SS**  cis171.6-178.8-4.300000110.1
553I29.6Very low30Very low184 Ų184132.4 Ų132.494%0.94479%0.791SS**  trans81.4154.4167.3-52169.6000116.7
554Q24.8Very low30Very low177 Ų177131.3 Ų131.383%0.82778%0.782SS**  trans-144.8-177.6-171.4-131.1-161.417.700107.8
555P46.7Very low29.9Very low103 Ų103129.6 Ų129.667%0.66978%0.782SS**  cis-137.5-159.1-11.640-18.9000114.8
556A26.3Very low29.5Very low87 Ų87129.3 Ų129.372%0.71978%0.783SS**  trans81.4150.4156.600000118.4
557Q27.2Very low29.4Very low169 Ų169130.5 Ų130.579%0.7979%0.793SS**  cis-165.4160.8-9.5-122.9177.9-1.500112.1
558I27.7Very low28.8Very low160 Ų160129.3 Ų129.382%0.82179%0.787SS**  trans67.9145158.1-60.2156.9000116.6
559G28.3Very low28.8Very low59 Ų59128.5 Ų128.561%0.60878%0.783SS**  cis171.1173.2-9.600000114.7
560V29.8Very low28.6Very low128 Ų128127.9 Ų127.978%0.77678%0.778SS**  trans57.5115.6161.1-66.50000125
561Q27.6Very low28.6Very low197 Ų197128.9 Ų128.992%0.92178%0.775SS**  37145.7123.5-58.7-169.385.600125.1
562G28.8Very low28.6Very low75 Ų75128.2 Ų128.277%0.77377%0.771SS**  trans117.2115.4161.800000113.1
563L26.8Very low28.6Very low149 Ų149128.3 Ų128.378%0.7877%0.772SS**  cis90.2115.728.2-160.379.2000114.5
564H29.7Very low28.6Very low156 Ų156126.3 Ų126.372%0.72277%0.768SS**  trans60.4162.7163.775.4-113.1000117.8
565T25.6Very low28.9Very low115 Ų115126.1 Ų126.171%0.70677%0.767SS**  cis-162.6169.3-26.122.60000109.6
566S26.3Very low28.6Very low120 Ų120126.8 Ų126.884%0.83977%0.771SS**  trans68.5147.3151.4470000120.6
567A27.9Very low28.7Very low96 Ų96126.8 Ų126.879%0.79377%0.771SS**  trans-114.9172.6-175.700000112.3
568S26.4Very low29.4Very low102 Ų102124.3 Ų124.371%0.71377%0.77SS**  trans-179.6145.5143.751.60000116.1
569I28.8Very low29.4Very low155 Ų155124 Ų12480%0.79577%0.769SS**  trans60.8107.1136.2-64.9168.7000118.1
570A25.4Very low29.4Very low87 Ų87127.2 Ų127.272%0.71978%0.776SS**  84.7164.382.600000114.5
571T30.2Very low29.4Very low118 Ų118126.8 Ų126.872%0.72477%0.774SS**  cis-163.7165.515.4-24.20000113.2
572Q29Very low29.4Very low191 Ų191124.7 Ų124.789%0.89376%0.764SS**  trans70.2155.1160.6-59.9-169.919.700119.7
573G27.6Very low29.3Very low66 Ų66127.6 Ų127.668%0.6876%0.758SS**  cis-114.7-129.7-000000114.1
574V29.9Very low29.3Very low143 Ų143126.9 Ų126.987%0.86775%0.75SS**  cis-158.1-174.1-1.2-142.50000110.7
575Q29.8Very low29.3Very low173 Ų173126.9 Ų126.981%0.80875%0.75SS**  trans-153.5177.2176.4-91.5-120.258.800109.7
576P41.7Very low29.3Very low116 Ų116130.1 Ų130.175%0.75376%0.758SS**  cis-136.9-165.110.243.9-24.5000116.9
577A28.8Very low30Very low87 Ų87129.5 Ų129.572%0.71975%0.751SS**  trans-125.9156.5170.700000113.1
578P41Very low29.9Very low117 Ų117132.5 Ų132.576%0.7675%0.748SS**  -147.8145.9126.625.4-3.5000114.1
579I28Very low30Very low155 Ų155135.2 Ų135.280%0.79575%0.75SS**  100.4119.758.4-73.7168.2000115.1
580V28.7Very low30Very low126 Ų126135.8 Ų135.876%0.76475%0.749SS**  trans72148.1155.5165.20000117.2
581T28.5Very low30.1Very low118 Ų118140.3 Ų140.372%0.72476%0.755SS**  cis-153176.835.1-19.70000115.6
582Q27.6Very low29.8Very low154 Ų154143.5 Ų143.572%0.7276%0.762SS**  trans-18.6171.1145.5-73.3-164.9104.900120.4
583Q26.6Very low30.7Very low136 Ų136139.1 Ų139.164%0.63675%0.75SS**  cis179.7166.7-22.2-165.4-166.882.200108.1
584Q28.4Very low30.6Very low133 Ų133144.5 Ų144.562%0.62176%0.757SS**  trans77.2126.3159.6-76.1-178.229.900123.6
585Q28.8Very low30.4Very low156 Ų156143.2 Ų143.273%0.72975%0.75SS**  trans74.4116.6130.1-65.7169.515.900123.4
586Q25.6Very low30.2Very low184 Ų184143.7 Ų143.786%0.8675%0.752SS**  27.2150.2120.1-82.2-169.5-0.900121.2
587P41.9Very low29.4Very low106 Ų106142.4 Ų142.469%0.68875%0.752SS**  cis-147.1-177.836.945.6-27000119.2
588Q25.9Very low29.6Very low160 Ų160147.7 Ų147.775%0.74876%0.758SS**  trans78.9125.8152-79.1-1770.300123.7
589Q27.5Very low29.8Very low158 Ų158148.4 Ų148.474%0.73876%0.763SS**  trans65.3117.2138.2-61.2-174.242.100122.5
590Q28.7Very low29.7Very low167 Ų167144.5 Ų144.578%0.7876%0.761SS**  4.1130.6127.5-65.2176.9-2.500115.8
591Q27.8Very low30.3Very low183 Ų183145.1 Ų145.186%0.85577%0.765SS**  -158.2174.557.5-121.8154.25900113.8
592Q24.4Very low30.3Very low184 Ų184146.2 Ų146.286%0.8677%0.771SS**  trans-78.9177.6173.6-109.8-173.7-6.800112.1
593P48.4Very low30.6Very low99 Ų99146.5 Ų146.564%0.64378%0.776SS**  cis-139.4-178.76.336.7-15.1000117.8
594Q24.8Very low30.7Very low179 Ų179145.2 Ų145.284%0.83679%0.789SS**  trans69.8150.1166.6-41.7-167.5-61.500116.1
595T26.4Very low30.5Very low117 Ų117145.9 Ų145.972%0.71880%0.797SS**  cis-155.8159.423.5-41.60000112.7
596E24.3Very low30.5Very low183 Ų183141.7 Ų141.786%0.85580%0.795SS**  trans75.9161.8148.3-113.8-172.59600126
597A24.9Very low30.4Very low89 Ų89141.5 Ų141.574%0.73679%0.792SS**  trans83.4116.715100000123.2
598K32.4Very low29.8Very low198 Ų198142.9 Ų142.986%0.86180%0.798SS**  trans-85-161151-37.8163.8179.5169.10108.3
599P47Very low29.8Very low132 Ų132139.6 Ų139.686%0.85780%0.798SS**  cis-127.8-166.3-31.334.1-14.5000111.4
600G25.8Very low30Very low73 Ų73137.7 Ų137.775%0.75380%0.803SS**  trans-175.4142164.100000115.4
601V40.8Very low30.4Very low139 Ų139135 Ų13584%0.84280%0.8SS**  trans-143.5136.7176.3170.50000109.5
602V27.4Very low30.5Very low140 Ų140134 Ų13485%0.84880%0.798SS**  trans-144.5150.7172.7-175.40000110.2
603L35Very low30.3Very low160 Ų160130.3 Ų130.384%0.83879%0.793SS**  trans-101.7157.8-179.9-68.370.8000112.2
604A28.4Very low29.5Very low109 Ų109131.4 Ų131.490%0.90180%0.798SS**  trans-168.6166.8144.200000112.6
605D24.2Very low29.5Very low148 Ų148128.3 Ų128.379%0.79179%0.792SS**  trans-105166.5-176.3-172.4-93.1000112.9
606G28.2Very low29.5Very low67 Ų67132.8 Ų132.869%0.69180%0.801SS**  trans165.463.5171.700000121.6
607F25Very low29.6Very low180 Ų180127 Ų12779%0.78979%0.791SS**  trans26.1132144.6-88.1-110.2000124.9
608V29.3Very low29.4Very low135 Ų135127.5 Ų127.582%0.81880%0.795SS**  trans69.2111.8147.5-173.80000121
609A24.9Very low29.1Very low91 Ų91124.1 Ų124.175%0.75279%0.791SS**  -171.3146.7117.700000113.7
610S31Very low28Very low119 Ų119125.9 Ų125.983%0.83279%0.788SS**  trans-165132.8159.4-76.70000108.1
611P38.5Very low28.9Very low110 Ų110127.1 Ų127.171%0.71478%0.783SS**  -154.8151.4109.638.6-21.1000116.7
612I28.6Very low28.1Very low162 Ų162126.5 Ų126.583%0.83178%0.779SS**  trans60.7137.2130.2-61.3171.3000118
613S21.9Very low28.1Very low106 Ų106124 Ų12474%0.74177%0.773SS**  cis-155.5176.416.4-144.80000114.2
614T30.1Very low27.9Very low123 Ų123122.4 Ų122.476%0.75577%0.77SS**  trans-73.7165163.250.10000114.4
615T25.6Very low27.7Very low114 Ų114124.7 Ų124.770%0.69976%0.764SS**  trans-163.6159.5139.7-78.70000112.4
616F27.2Very low27.7Very low210 Ų210123 Ų12392%0.92176%0.759SS**  trans-65.4176.4173.4-74.4-116.2000112.3
617G24.8Very low27.8Very low63 Ų63127.9 Ų127.965%0.64976%0.764SS**  cis165.2-162.82.400000110.5
618A22.2Very low27.8Very low99 Ų99123.7 Ų123.782%0.81876%0.762SS**  trans68.1141.9-172.800000115.3
619T25.1Very low27.8Very low126 Ų126125.2 Ų125.277%0.77376%0.76SS**  cis107.31156.4-58.10000114.9
620Q24.8Very low28Very low169 Ų169126.2 Ų126.279%0.7976%0.757SS**  trans70.5167.5166.2-66.6-77.121.800117.1
621P43.6Very low27.9Very low99 Ų99129.1 Ų129.164%0.64376%0.758SS**  cis-135.6-160.9-20.824.41000114
622V23.8Very low27.3Very low126 Ų126126.5 Ų126.576%0.76475%0.751SS**  trans81.8116160.1-171.20000116.1
623A27.7Very low27.5Very low88 Ų88125.6 Ų125.673%0.72776%0.755SS**  cis94125.81100000118.4
624T30.6Very low27.8Very low127 Ų127123.9 Ų123.978%0.77976%0.755SS**  trans174133.1173.2-88.80000107.2
625M24.2Very low27.8Very low157 Ų157125.7 Ų125.777%0.77377%0.765SS**  cis-145152.6-11.7-98.8-173.4-78.700106.7
626V25.8Very low28Very low112 Ų112124 Ų12468%0.67977%0.77SS**  69.8133.253.4-178.10000111.5
627Q29.1Very low28Very low169 Ų169118 Ų11879%0.7977%0.768SS**  cis-94.2-13214.3-152.273.3-99.900114.1
628A25.6Very low28.1Very low92 Ų92119.7 Ų119.776%0.7678%0.776SS**  cis-142.1-178.313.300000112
629H29.3Very low29Very low167 Ų167120.9 Ų120.977%0.77378%0.775SS**  trans-157.7163-158-136.7-78.6000119.7
630T29.4Very low29Very low113 Ų113122.1 Ų122.169%0.69378%0.777SS**  trans81.6162.6168790000117.2
631Q27.9Very low29.3Very low179 Ų179122 Ų12284%0.83678%0.781SS**  cis-151.9-167.72.9-142.6175.9128.400112.8
632G25.6Very low28.5Very low56 Ų56121.1 Ų121.158%0.57779%0.79SS**  trans-133.7-154.9165.600000110
633P33.4Very low28.7Very low142 Ų142120.7 Ų120.792%0.92279%0.792SS**  cis-124.5-151.7-0.142.9-25.7000112.6
634G27.3Very low28.9Very low71 Ų71121.8 Ų121.873%0.73280%0.795SS**  trans-155.3-179.4179.800000116.8
635V31Very low29.2Very low160 Ų160121 Ų12197%0.9779%0.792SS**  trans-142.9153.3177.1178.50000108.2
636G29.5Very low29.5Very low78 Ų78123.1 Ų123.180%0.80479%0.791SS**  trans-142-174.5-172.400000116.6
637G27.7Very low29.7Very low85 Ų85124.4 Ų124.488%0.87680%0.802SS**  trans-161.5155.9178.200000111.7
638A27.2Very low30Very low98 Ų98120 Ų12081%0.8179%0.789SS**  trans-114.1177.5-172.800000111
639P39.3Very low30.6Very low125 Ų125122.2 Ų122.281%0.81279%0.787SS**  cis-139.7-164.45.943.4-24.7000115.4
640N26.6Very low30.9Very low151 Ų151120.9 Ų120.981%0.80779%0.785SS**  trans117.6159.7145.2-147.76.1000117.6
641L30.3Very low31.4Very low168 Ų168125.1 Ų125.188%0.8879%0.788SS**  trans-84.4138.2-163.3-65.1155.3000113.9
642G27.6Very low31.5Very low80 Ų80126 Ų12683%0.82579%0.789SS**  trans-153.680.5178.700000115.1
643S26.8Very low31.9Very low116 Ų116131.5 Ų131.581%0.81180%0.797SS**  trans-76.5143.6172.5-178.10000112.2P645S643-P645 WeakPolarHBondContact O-CD 3.33Å
644S33.3Very low31.9Very low111 Ų111130 Ų13078%0.77679%0.787SS**  trans-59.8140.2172.7-178.70000113.2
645P35.7Very low32.2Very low111 Ų111130.3 Ų130.372%0.72178%0.784SS**  trans-143.3118.614433.1-13.9000115.1S643S643-P645 WeakPolarHBondContact O-CD 3.33Å
646R31.6Very low31.9Very low201 Ų201129.1 Ų129.176%0.75878%0.777SS**  25.4117.8119.5179.6-163.6-174.71743117.3S648R646-S648 PolarHBondContact O-N 2.99Å; R646-S648 VanDerWaalsContact O-N 3.12Å
647P29.9Very low31.7Very low140 Ų140134.9 Ų134.991%0.90978%0.783SS**  trans-69.8109.5163.528.9-33.1000111.1
648S36Very low31.6Very low75 Ų75134.6 Ų134.652%0.52478%0.78SS.*  trans-161.1112.3166.2-166.80000111.6R646R646-S648 PolarHBondContact O-N 2.99Å; R646-S648 VanDerWaalsContact O-N 3.12Å
649I37Very low31.5Very low139 Ų139135.8 Ų135.871%0.71378%0.781SS**  trans-178.4127.6155.9-97.9149.4000105.5
650L35.8Very low30.8Very low139 Ų139135.2 Ų135.273%0.72877%0.774SS**  cis90.4153.522.2-161.669.6000114.1
651R39.5Very low31.2Very low203 Ų203138.8 Ų138.877%0.76678%0.777SS**  trans82.1155.3172.9-51179.8171.6123.9-3.8112.8
652K30.5Very low31.2Very low197 Ų197140.4 Ų140.486%0.85778%0.777SS**  cis-136.8156.613.8-156.6177.4-179.7-179.50111.6
653K33Very low31.2Very low171 Ų171140.7 Ų140.774%0.74377%0.772SS**  trans-80.7161167.2-142.9-158.8177.4-169.40109.6
654P35.2Very low31.2Very low110 Ų110142.1 Ų142.171%0.71477%0.769SS**  -134.5-178.3117.638.7-30.7000113.2
655A32Very low31.1Very low79 Ų79144 Ų14465%0.65377%0.769SS**  trans-147.4128.7161.500000107.7
656T25Very low31.2Very low135 Ų135144 Ų14483%0.82877%0.769SS**  trans-157.5164.4178.49.20000109.3
657E25.5Very low31Very low199 Ų199140.9 Ų140.993%0.9377%0.772SS**  trans-87.4162.9-166.9-62.3162.5117.500113.6
658G26.7Very low30.7Very low78 Ų78142.4 Ų142.480%0.80477%0.767SS**  trans176.9112.9175.100000114.5
659C25.4Very low30.9Very low123 Ų123143.9 Ų143.983%0.83178%0.775SS**  trans-71.6165.8167.2-1490000109.2
660V24.5Very low30.3Very low113 Ų113142.5 Ų142.569%0.68578%0.778SS**  cis-158.6143.729-1630000106.7
661R33Very low29.9Very low227 Ų227144.8 Ų144.886%0.85779%0.785SS**  172.6135.896.6-82.4167.5-158.6-133.2-1.8111.8
662K30.4Very low29.3Very low201 Ų201140.5 Ų140.587%0.87479%0.786SS**  trans35.1111.8153.7-57.7-174.3178.2-174.30118.4
663A27.9Very low29.1Very low87 Ų87138.7 Ų138.772%0.71979%0.786SS**  73.5140.472.600000113.8
664L26.4Very low28.8Very low146 Ų146135.6 Ų135.676%0.76479%0.786SS**  cis-147171.912.1-157.269.5000112.1
665I31.8Very low28.4Very low151 Ų151134 Ų13477%0.77479%0.789SS**  trans-114.8140.6179.1-66.2168.5000106.4
666P37.8Very low28.2Very low111 Ų111141.7 Ų141.772%0.72180%0.801SS**  -149.7-168.770.341.4-18000114.4
667T27.2Very low28.6Very low134 Ų134141.7 Ų141.782%0.82279%0.794SS**  cis-149.9176.88.8-26.70000110.6
668Q25Very low28.6Very low173 Ų173139.2 Ų139.281%0.80879%0.788SS**  trans-93.8-171.6164.4-36.7-174.5-4.100111.1
669P38.9Very low28.7Very low105 Ų105138.8 Ų138.868%0.68278%0.783SS**  cis-128.3-138.4-21.137-16.6000110.5
670S24.4Very low28.8Very low111 Ų111136.5 Ų136.578%0.77678%0.78SS**  trans92.9157.5158.6-49.90000119
671E27.4Very low29.3Very low186 Ų186137.7 Ų137.787%0.86979%0.788SS**  trans-104.5-177.7-158.1-56176.790.200114.4
672S28Very low29.2Very low113 Ų113138.7 Ų138.779%0.7979%0.792SS**  trans85.2110.1153.576.90000120.6
673N25.3Very low29.1Very low160 Ų160132.4 Ų132.486%0.85678%0.784SS**  70126.2125.1-15017.3000122.9
674S26.9Very low29.4Very low106 Ų106133.8 Ų133.874%0.74180%0.795SS**  trans63.389.6147.3-171.40000122.6
675G27.6Very low29.4Very low76 Ų76130.9 Ų130.978%0.78480%0.8SS**  90.5175.4111.700000121.9
676R27.9Very low29.5Very low241 Ų241129 Ų12991%0.90980%0.801SS**  trans103.1147.1168.5-152.2163.1-173.8165.70.7118.6
677I32.7Very low30Very low134 Ų134130 Ų13069%0.68781%0.807SS**  trans-72.3178.4-176.562.7178000113.5
678D26.3Very low30.3Very low147 Ų147133.4 Ų133.479%0.78681%0.805SS**  cis-149.11717.1-145.8-116.9000107.4
679G27.5Very low31.4Very low69 Ų69130.7 Ų130.771%0.71180%0.803SS**  115.2130.365.300000111.8
680G27.9Very low30.8Very low75 Ų75129.2 Ų129.277%0.77380%0.799SS**  trans162.5141.3178.200000115.8
681V35.5Very low31Very low139 Ų139127.2 Ų127.284%0.84280%0.796SS**  trans-149.4166.7-151.9-176.20000114.9
682R31.6Very low31.1Very low248 Ų248125.9 Ų125.994%0.93680%0.8SS**  trans95.9150.7170.1-54.1176.2-169.8-103.32.6115.1
683G28Very low31.1Very low69 Ų69129.4 Ų129.471%0.71180%0.801SS**  cis-167.3141.2-7.600000109.6
684A33.2Very low31.6Very low115 Ų115128.1 Ų128.195%0.9580%0.802SS**  82.9123.687.200000115.7
685G26.5Very low31.6Very low85 Ų85131.8 Ų131.888%0.87680%0.804SS**  trans163130.9172.800000115.2
686S33.5Very low31.6Very low113 Ų113132.7 Ų132.779%0.7980%0.804SS**  trans-166147.6176.8-169.90000108.8
687P49.2Very low31.4Very low131 Ų131129.4 Ų129.485%0.85180%0.799SS**  -147.9-169.395.938-18.8000114.7
688R33.9Very low31.3Very low205 Ų205128 Ų12877%0.77480%0.796SS**  trans-132.6159.3-168.9-155.8-138.2177.7168.11.1113A690R688-A690 PolarHBondContact NH1-O 2.83Å; R688-A690 VanDerWaalsContact NH1-O 3.09Å
689P46.8Very low31.4Very low117 Ų117125 Ų12576%0.7678%0.778SS**  -136-179.6123.240.2-30.3000112.1
690A27.7Very low31.4Very low73 Ų73126.8 Ų126.860%0.60377%0.769SS**  cis-122.3-133.9-4.600000109.4R688R688-A690 PolarHBondContact NH1-O 2.83Å; R688-A690 VanDerWaalsContact NH1-O 3.09Å
691G27.5Very low31.4Very low69 Ų69127.2 Ų127.271%0.71177%0.765SS**  cis-179.1-164.811.700000112.9
692V28.9Very low31.1Very low159 Ų159127.4 Ų127.496%0.96477%0.766SS**  trans-104.1173.1-159.9-82.30000116.9
693K28.2Very low30.8Very low187 Ų187120.1 Ų120.181%0.81376%0.759SS**  trans-156.5154.4-166-170.8-174.5-175.6-176.10109
694P36Very low31.2Very low133 Ų133122.3 Ų122.386%0.86476%0.76SS**  -147.3-164.2121.936.7-18.5000114.5
695K26.3Very low31.7Very low183 Ų183122.4 Ų122.480%0.79675%0.751SS**  trans-159.1136.3-169.6173.1-131.2176.4-159.10111.2
696A29Very low31.8Very low94 Ų94124.8 Ų124.878%0.77775%0.749SS**  trans-172.5-176.1165.800000109.3
697E23.1Very low31.6Very low172 Ų172128 Ų12880%0.80475%0.754SS**  -151.1-171.1-68.1-164.8140122.200108.3
698V30.9Very low30.7Very low104 Ų104126 Ų12663%0.6375%0.748SS**  trans-135.1140.1-160.71740000113.7
699H29.1Very low30.4Very low85 Ų85121 Ų12139%0.39475%0.751SS.*  trans161.4148.9131.3-87.1118.6000116.8P104 V105P104-H699 CarbonylContact C-O 3.59Å; P104-H699 WeakPolarHBondContact CA-O 3.45Å; V105-H699 WeakPolarHBondContact CA-O 3.1Å; V105-H699 HydrophobicContact CG2-CB 4.04Å; V105-H699 PolarHBondContact N-O 3.33Å
700M27.6Very low29.5Very low107 Ų107122.3 Ų122.353%0.52776%0.756SS.*  trans63176.1144.1-66.1-140.3174.100123.9P104 T106 L107P104-M700 CarbonylContact O-C 3.45Å; T106-M700 VanDerWaalsContact C-SD 3.53Å; L107-M700 HydrophobicContact CD2-CE 4.06Å; L107-M700 PolarHBondContact N-SD 2.74Å
701A27.1Very low29.5Very low84 Ų84125 Ų12569%0.69476%0.756SS**  trans-159.1-179.2-163.500000112.3
702V28.6Very low29.4Very low143 Ų143125.8 Ų125.887%0.86776%0.756SS**  158.3139.3128.4157.50000113
703A25.5Very low29.3Very low94 Ų94126 Ų12678%0.77775%0.751SS**  trans-163.1144153.500000114.8
704P36.9Very low29.8Very low115 Ų115121.7 Ų121.775%0.74774%0.742SS**  trans-97.2-167.9172.641.1-37.1000112.7
705P42.5Very low29.3Very low117 Ų117119 Ų11976%0.7673%0.73SS**  cis-117.9-173.6-3.444.1-30.2000113.3
706V28.9Very low29.2Very low136 Ų136118.9 Ų118.982%0.82473%0.733SS**  cis96.4111.67-175.30000118.6
707M29.5Very low28.9Very low181 Ų181116.1 Ų116.189%0.89271%0.714SS**  trans-150.4116.3162.8-82.6-74.3-91.200107.3
708A30.7Very low29Very low89 Ų89111.1 Ų111.174%0.73671%0.708SS**  89.313181.900000114
709A28.3Very low28.6Very low100 Ų100110.9 Ų110.983%0.82670%0.7SS**  cis-126.6-126.5-1.800000112.3
710V28.2Very low28.5Very low143 Ų143113.7 Ų113.787%0.86771%0.714SS**  cis-159.81776.576.30000111.8
711E26.7Very low28.5Very low129 Ų129118 Ų11860%0.60373%0.732SS**  trans-100.7172.8-177.3-98.2171.985.300113.6N26N26-E711 PolarHBondContact N-OE1 3.28Å
712A26.2Very low28.4Very low86 Ų86117.8 Ų117.871%0.71173%0.731SS**  cis-163.2-179-2.700000112.6
713L26.9Very low28.2Very low164 Ų164116 Ų11686%0.85973%0.725SS**  trans-88.5-176.5173.2-76.9170000112
714P37.8Very low28.2Very low97 Ų97118.9 Ų118.963%0.6373%0.727SS**  cis-149.3174.81946-25000121.1
715A24.6Very low28.5Very low75 Ų75118.1 Ų118.162%0.6272%0.722SS**  trans34.8138.2140.200000126.7
716Q24.2Very low28Very low181 Ų181120 Ų12085%0.84672%0.721SS**  trans53.1138.5142.1-72.9-170.6-81.300124.1
717G24.7Very low28.4Very low37 Ų37120 Ų12038%0.38171%0.712SS.*  132.782.5123.800000119.4
718G23.4Very low28.7Very low66 Ų66116.6 Ų116.668%0.6870%0.696SS**  trans70.9175.5165.800000116.3
719E24.2Very low28.6Very low99 Ų99117.9 Ų117.946%0.46370%0.695SS.*  cis-165.3173.2-22.163.3179.393.300110.9G17 A18G17-E719 WeakPolarHBondContact CA-OE1 3.39Å; G17-E719 WeakPolarHBondContact CA-OE2 3.35Å; A18-E719 PolarHBondContact N-OE1 3.04Å
720Q26.8Very low28.8Very low145 Ų145120.5 Ų120.568%0.67869%0.69SS**  trans57.1114.4163.1-63.1-171.948.900120.6
721Q27.1Very low28.8Very low196 Ų196117.6 Ų117.692%0.91668%0.681SS**  trans-39.2126150.9166.4-161.8-26.200115.4
722A24.7Very low28.7Very low81 Ų81120 Ų12067%0.66970%0.695SS**  trans-169.1157141.200000113.4
723S23.6Very low29.9Very low105 Ų105120.5 Ų120.573%0.73469%0.69SS**  trans38.2119.3148.852.30000120.2
724N25.3Very low30.1Very low154 Ų154118.2 Ų118.282%0.82468%0.683SS**  cis58.114040.6-152.154.2000113.6
725P44.7Very low29.9Very low99 Ų99121 Ų12164%0.64369%0.69SS**  cis-130-162-21.341.2-23.9000111.6
726Q31.3Very low30.3Very low158 Ų158124.2 Ų124.274%0.73870%0.696SS**  trans167.3149.4131.6-92-172.5-11.200109.5
727H36.8Very low30.6Very low136 Ų136119.1 Ų119.163%0.6369%0.685SS**  cis-155.6169.8-2.8-122.2164.6000107.9
728L36.2Very low30.6Very low109 Ų109123.7 Ų123.757%0.57171%0.706SS**  cis-130.8-45.5-3.117162.6000111Q730L728-Q730 HydrophobicContact CD2-CG 3.94Å; L728-Q730 HydrophobicContact CG-CG 4.29Å
729T28Very low31.4Very low116 Ų116126.1 Ų126.171%0.71271%0.709SS**  -138.4144.5-65-53.80000107.4
730Q33.1Very low31.3Very low154 Ų154124.9 Ų124.972%0.7272%0.724SS**  cis-160.5153.8-39.5-100.7179.6-18.700104.8L728L728-Q730 HydrophobicContact CD2-CG 3.94Å; L728-Q730 HydrophobicContact CG-CG 4.29Å
731A27.4Very low31.9Very low82 Ų82124.4 Ų124.468%0.67873%0.733SS**  cis-168.9170.8-2600000109.7
732M26.6Very low31.9Very low181 Ų181121.2 Ų121.289%0.89273%0.726SS**  trans78.9144.9151.8-83-160.4156.700120.4
733P49.8Very low33.6Very low95 Ų95122.8 Ų122.862%0.61773%0.73SS**  -145.3175.7-89.638.2-17.8000118.5
734T32.9Very low34.9Very low116 Ų116122.9 Ų122.971%0.71273%0.728SS**  trans65.7147.9154.540.60000118.3
735M32.5Very low35Very low155 Ų155121.1 Ų121.176%0.76473%0.728SS**  cis-160.4175.78.8-109.1-23-176.400107.9
736L33.8Very low34.4Very low143 Ų143125 Ų12575%0.74974%0.737SS**  cis-171.9159.6-15.6-179.655.3000110.9
737A29.3Very low35Very low75 Ų75122.5 Ų122.562%0.6274%0.735SS**  trans64.6104.2154.600000125.5
738T25.7Very low34.6Very low133 Ų133121.2 Ų121.282%0.81674%0.741SS**  70.7178.5122.5-9.10000120.5
739P39.3Very low34.3Very low116 Ų116122.4 Ų122.475%0.75375%0.753SS**  -130.6151.5-109.243.7-26.7000120.3
740G22.2Very low34.3Very low74 Ų74122.7 Ų122.776%0.76375%0.754SS**  trans65.9-174.5159.600000117.3
741P39.8Very low34Very low135 Ų135122.7 Ų122.788%0.87776%0.759SS**  cis-120.6-122-12.440.2-23000113
742V27.6Very low33.9Very low128 Ų128123.4 Ų123.478%0.77676%0.759SS**  trans-120.4-146.8-169.2-145.10000111.7
743P59.2Low34.1Very low114 Ų114122.7 Ų122.774%0.7476%0.758SS**  -83.7-148.3-103.242.5-25.2000113.1
744P51.6Low33.6Very low108 Ų108124.4 Ų124.470%0.70177%0.768SS**  cis-141.9-173.7-8.744.2-24.7000118
745S27.6Very low33.3Very low116 Ų116123.7 Ų123.781%0.81178%0.775SS**  trans88.4146.5139.8-70.40000125.3
746Q30.9Very low33.2Very low181 Ų181121 Ų12185%0.84678%0.777SS**  trans-96.3-163.9175.3-39170.8-23.900110.3
747P45.2Very low33Very low105 Ų105123.2 Ų123.268%0.68279%0.786SS**  cis-138.1160.9-1436.2-17000117.4
748S27.8Very low32.9Very low109 Ų109123.9 Ų123.976%0.76279%0.791SS**  trans54.4150140.2-60.20000125.6
749T29.5Very low33Very low134 Ų134124 Ų12482%0.82279%0.792SS**  trans72.4146.2160.817.80000117.3
750V28.3Very low32.6Very low123 Ų123124.2 Ų124.275%0.74579%0.791SS**  cis-148168.210.6-93.30000112.3
751L26.5Very low33.7Very low154 Ų154126.6 Ų126.681%0.80679%0.793SS**  trans80.1104.3145-126.864.2000123.8
752S26.9Very low33.8Very low97 Ų97125 Ų12568%0.67878%0.783SS**  39.2115.2127.1-46.30000124.5
753L29.9Very low33.9Very low166 Ų166125.4 Ų125.487%0.86979%0.785SS**  trans58.3140.8138.8-88.778.2000119.8
754P38.6Very low33Very low130 Ų130125.4 Ų125.484%0.84479%0.785SS**  -134.6-166.855.840.4-23.8000114.9
755A27.9Very low32Very low102 Ų102124.7 Ų124.784%0.84379%0.789SS**  trans-115.5139.1-172.500000113.8
756A29.9Very low32Very low99 Ų99124 Ų12482%0.81878%0.784SS**  trans-160.1137.4153.700000111.9
757M29.1Very low31.9Very low188 Ų188123.6 Ų123.693%0.92678%0.784SS**  trans3.7154.8163.4-52.2-169.475.700123.8
758A27.5Very low31.1Very low89 Ų89123.1 Ų123.174%0.73679%0.789SS**  trans98112.8147.100000120.8
759V28.1Very low31.2Very low136 Ų136125 Ų12582%0.82479%0.79SS**  trans64.6119135.5-173.60000120.5
760T31.3Very low31.2Very low120 Ų120124.7 Ų124.774%0.73679%0.788SS**  trans-32.8157.4158.550.10000116.7
761P44.4Very low31.2Very low124 Ų124124.8 Ų124.881%0.80579%0.789SS**  cis-140-121.844.230.2-1.7000117.7
762P43.2Very low31.1Very low103 Ų103122 Ų12267%0.66979%0.788SS**  -134.3166.3-112.144.7-27.3000118.6
763V29.2Very low31.1Very low136 Ų136122.8 Ų122.882%0.82479%0.793SS**  trans47.7143.5132.7173.20000120.2
764P40.7Very low31.4Very low113 Ų113120.3 Ų120.373%0.73479%0.788SS**  cis-138175.220.925.8-0.1000118.7
765A28.9Very low30.9Very low94 Ų94119.9 Ų119.978%0.77778%0.782SS**  trans41143.5143.600000122
766S28.9Very low31.1Very low102 Ų102121.7 Ų121.771%0.71377%0.774SS**  -171.3146.753.3-151.90000116.8
767M28.8Very low31.2Very low171 Ų171122.2 Ų122.284%0.84277%0.769SS**  trans70.1147.3150-73.3-66.9105.900124.8
768A27.3Very low31.1Very low95 Ų95117.2 Ų117.279%0.78576%0.757SS**  trans72.4136.4160.800000119.1
769N29.6Very low31.2Very low150 Ų150117.7 Ų117.780%0.80276%0.761SS**  cis-163.8180-11.8-162.15.3000111.5
770T30.6Very low31.1Very low126 Ų126116.6 Ų116.677%0.77376%0.759SS**  trans88.6150.1165.372.40000119.2
771V27.6Very low31Very low126 Ų126115.7 Ų115.776%0.76476%0.758SS**  trans-140.2144.1-167.7163.10000110.1
772A25.6Very low30.2Very low95 Ų95116.5 Ų116.579%0.78576%0.761SS**  trans-143.5147.3166.300000111.2
773S25.9Very low29.4Very low113 Ų113116.1 Ų116.179%0.7977%0.767SS**  trans-72.6167.1175.4-33.40000111.5
774P36.6Very low29.2Very low115 Ų115114 Ų11475%0.74776%0.763SS**  -162.1-175.169.845-23.1000119.1
775T27.5Very low28.5Very low120 Ų120115 Ų11574%0.73677%0.771SS**  trans82.4149.9147.6-51.70000121.1
776Q32.5Very low28.3Very low141 Ų141115.5 Ų115.566%0.65978%0.776SS**  trans-91.6178.8-179.9-59.7-176.7-29.900113.4
777P32.3Very low28.2Very low110 Ų110115.1 Ų115.171%0.71478%0.778SS**  -138.5-174.4104.740.1-29.6000114.2
778A27.5Very low28Very low82 Ų82112.5 Ų112.568%0.67878%0.777SS**  trans-137151.9-172.900000114.4
779A29Very low28.1Very low100 Ų100113.2 Ų113.283%0.82678%0.776SS**  trans62.9156.6163.300000117.4
780S25.8Very low27.8Very low112 Ų112112.6 Ų112.678%0.78378%0.778SS**  cis-156.8-173.75.6-153.90000112.3
781S28.2Very low27.9Very low101 Ų101111.7 Ų111.771%0.70678%0.776SS**  trans81.793.6157.6-58.20000121.1
782T27.8Very low28.4Very low141 Ų141112 Ų11287%0.86578%0.78SS**  41.8109.3116.8-47.70000120.9
783A26.1Very low28.3Very low96 Ų96114 Ų11479%0.79378%0.778SS**  -173.4148.1119.700000114.7
784A25Very low28.6Very low90 Ų90113.6 Ų113.674%0.74477%0.77SS**  trans32.6109.7152.100000123.3
785C27.6Very low28Very low135 Ų135117.3 Ų117.391%0.91277%0.774SS**  47.1112.2123.2-57.70000122.5
786A25Very low28.1Very low105 Ų105117.9 Ų117.987%0.86877%0.772SS**  trans-148.1163.3143.300000110.5
787A25.6Very low27.8Very low93 Ų93120.4 Ų120.477%0.76978%0.781SS**  trans-79.5164.6177.600000111
788S25.1Very low27.4Very low117 Ų117124.7 Ų124.782%0.81879%0.791SS**  -159.916852.6-71.60000114
789S29.1Very low27.1Very low110 Ų110128.4 Ų128.477%0.76979%0.794SS**  trans-119.8130.5172.9165.50000109.7
790T24.3Very low27.2Very low137 Ų137130 Ų13084%0.8479%0.794SS**  trans-140.4110.3171.8-6.50000111
791C32.2Very low27.2Very low107 Ų107132.4 Ų132.472%0.72379%0.792SS**  trans-94.9152.1157.5-56.80000108.4D793C791-D793 PolarHBondContact O-N 2.97Å
792P37.3Very low28Very low131 Ų131131.9 Ų131.985%0.85179%0.786SS**  trans-80.5112.4162.331.5-29.8000110.4
793D24.2Very low28Very low139 Ų139132.6 Ų132.674%0.74378%0.782SS**  trans-96.4170.1151.4-157.4-131.8000106.1C791C791-D793 PolarHBondContact O-N 2.97Å
794V32.3Very low27.9Very low103 Ų103134.1 Ų134.162%0.62478%0.777SS**  cis-156.2158.234.2-1610000109I796V794-I796 VanDerWaalsContact CG1-N 3.34Å
795K23.7Very low28Very low193 Ų193134.9 Ų134.984%0.83977%0.772SS**  trans-144.781.7132.4-133.7173.1-172.2177.50115.4
796I30.1Very low27.9Very low132 Ų132133.5 Ų133.568%0.67776%0.764SS**  trans57.5111.6139-55.5168.7000117.1V794V794-I796 VanDerWaalsContact CG1-N 3.34Å
797K26.2Very low28.1Very low195 Ų195136 Ų13685%0.84876%0.758SS**  -172.1105.997.6-172170.2-178.2176.70112.1
798Q24.2Very low28.6Very low199 Ų199137.2 Ų137.293%0.9376%0.758SS**  trans-143.1163.3159.3-171.8160.1-17.300109.4
799E21.5Very low28.5Very low161 Ų161137.4 Ų137.475%0.75275%0.75SS**  trans-129.6149.6-160.3-173.2-170.910500111
800V30.3Very low29.2Very low134 Ų134137.9 Ų137.981%0.81275%0.75SS**  trans74.6138158144.90000119.7
801E25.2Very low29.3Very low161 Ų161138 Ų13875%0.75275%0.746SS**  trans-105.2-155.1179.8-133.5-143.5119.800108.6
802P45Very low29.1Very low90 Ų90140 Ų14058%0.58475%0.754SS**  cis-131.2-174.4-13.837-17.5000114.9
803M27.6Very low28.6Very low157 Ų157140.5 Ų140.577%0.77375%0.75SS**  trans66.1152.4149.8-101.261.9-17900118.9
804D24.9Very low28.8Very low128 Ų128140.8 Ų140.868%0.68475%0.75SS**  cis-165.7-177.61.7-153.5-155.9000108.3
805T26.2Very low28.6Very low106 Ų106141.7 Ų141.765%0.6576%0.761SS**  cis-152.7158.32-310000111.7
806S26.3Very low28.7Very low106 Ų106138.1 Ų138.174%0.74176%0.761SS**  trans14.2138.8155.468.60000126.6
807Q29.5Very low28.6Very low158 Ų158136.3 Ų136.374%0.73877%0.766SS**  trans-79.3-157.1152.9-126.1-176.8-61.500110.9D809Q807-D809 PolarHBondContact NE2-OD2 3.18Å
808P35.1Very low29.3Very low117 Ų117132.8 Ų132.876%0.7676%0.763SS**  cis-138.5-168.17.236.8-11.7000118
809D22.9Very low29.5Very low122 Ų122128.4 Ų128.465%0.65276%0.76SS**  trans-64.8-159.5179.6-53.2-103.7000115.6Q807Q807-D809 PolarHBondContact NE2-OD2 3.18Å
810P44.6Very low29.7Very low119 Ų119123.9 Ų123.977%0.77376%0.757SS**  cis-146.11690.843.8-23.1000120.9
811N27.2Very low29.5Very low140 Ų140122.7 Ų122.775%0.74975%0.754SS**  trans43.2124.5138.1-171.129.3000123.4
812V27.8Very low29.8Very low150 Ų150121 Ų12191%0.90976%0.755SS**  trans-149.5165.3142.1-111.60000112.2
813N25.8Very low29Very low140 Ų140125.6 Ų125.675%0.74977%0.769SS**  trans-116.1176.4-161.8-171.517000113.8
814L28.3Very low29Very low145 Ų145122.6 Ų122.676%0.75977%0.769SS**  trans90.494.3162.5-55.7177.2000119.5
815S27.5Very low29Very low122 Ų122123.3 Ų123.385%0.85377%0.773SS**  trans6.5122.8135.2-168.60000119.7
816S27.6Very low29.3Very low119 Ų119123.7 Ų123.783%0.83278%0.775SS**  trans-153.6150.9137.857.10000111.1
817A27Very low29.3Very low94 Ų94126.4 Ų126.478%0.77778%0.78SS**  trans-163.1169.9179.700000108.7
818P41.7Very low29.2Very low121 Ų121125.5 Ų125.579%0.78678%0.781SS**  cis-127.2-161.3-7.639.9-22.7000112.4
819A26.8Very low29.2Very low106 Ų106125.3 Ų125.388%0.87678%0.779SS**  trans72.5152.4167.700000117.5
820G25.7Very low29.6Very low66 Ų66125.3 Ų125.368%0.6879%0.786SS**  cis179.1148.3-8.800000115.3
821S26.6Very low28.8Very low109 Ų109124.2 Ų124.276%0.76279%0.787SS**  trans4491.3153.856.50000120.8
822T32.7Very low28.9Very low125 Ų125122.6 Ų122.677%0.76779%0.793SS**  39.5112.8120.155.90000121.5
823Q27.8Very low29.2Very low188 Ų188120.5 Ų120.588%0.87979%0.792SS**  -169.2137.9121.8-98.3159.7108.400107.5
824A26.2Very low29.2Very low93 Ų93122.3 Ų122.377%0.76980%0.796SS**  60.4128.87400000112.6
825N26.7Very low29.2Very low143 Ų143121.7 Ų121.777%0.76579%0.793SS**  cis-156169.17.8-165.414.7000112.5
826T31.4Very low29.6Very low115 Ų115122.1 Ų122.171%0.70679%0.789SS**  trans54.3111.8158.240.50000121
827L26.6Very low30.3Very low162 Ų162122.3 Ų122.385%0.84879%0.788SS**  trans-162.9132.7130.1-108.8171.6000111.8
828N26.8Very low30.4Very low139 Ų139121.4 Ų121.474%0.74379%0.787SS**  trans24.4147.2164.1-72.610.7000124.9
829P35.7Very low30Very low113 Ų113120.5 Ų120.573%0.73479%0.79SS**  trans-80.1166.6152.137.5-34.6000111.8
830P30.8Very low30.2Very low123 Ų123120.5 Ų120.580%0.79978%0.784SS**  -128.8149.8117.436.6-32000114
831A27.8Very low31Very low96 Ų96124 Ų12479%0.79380%0.795SS**SBendtrans44.4107.6158.900000121.1
832A29.8Very low31.8Very low106 Ų106129.8 Ų129.888%0.87680%0.8SS**  trans59.397.3133.200000121.5
833A34Very low32.4Very low106 Ų106132.9 Ų132.988%0.87680%0.803SS**  trans-161.665.6146.600000113
834E25.2Very low33.5Very low177 Ų177133.9 Ų133.983%0.82780%0.804SS**  trans-69.3147170-120-172.9129.600110.5
835L29.7Very low34.2Very low133 Ų133135.4 Ų135.470%0.69681%0.806SS**  cis-158.4134.932.3-97162.9000112.8
836V34.4Very low35.5Very low130 Ų130139.8 Ų139.879%0.78881%0.812SS**  49.1143.5125175.20000122.7
837P44Very low35.9Very low124 Ų124143.3 Ų143.381%0.80582%0.818SS**  trans-114.7-177.9-167.643.8-34.1000116.4
838G27.7Very low36.6Very low74 Ų74144.5 Ų144.576%0.76382%0.819SS**  trans154.9131.6150.300000122.1
839A33.4Very low37.2Very low102 Ų102145.4 Ų145.484%0.84382%0.819SS**  trans60.4123.2134.800000125.3
840S31.7Very low37.2Very low106 Ų106148.5 Ų148.574%0.74182%0.823SS**  44.6104.5127-164.40000121.6R842S840-R842 PolarHBondContact O-N 2.78Å
841P41.6Very low37.5Very low141 Ų141148.9 Ų148.992%0.91682%0.823SS**  trans-83.190174.1-11.529.3000114.7
842R43.8Very low37.8Very low229 Ų229150.9 Ų150.986%0.86482%0.819SS**  trans-137.793.7165.4-134.6-178.1-163.3-144.88.1115.4S840S840-R842 PolarHBondContact O-N 2.78Å
843K44.9Very low38Very low191 Ų191151.1 Ų151.183%0.8381%0.814SS**  trans55.589.9155.8-63.1-173.9178.2-178.70118.7
844K51.6Low38.1Very low209 Ų209151.5 Ų151.591%0.90981%0.806SS**  trans14.792.1144.3-61.1-174.3-179.6-174.70117.4
845P40.5Very low39.1Very low125 Ų125150.6 Ų150.681%0.81280%0.801SS**PPolyproline II helixtrans-67.3150.815130.2-33000110.2
846R54.1Low39.2Very low234 Ų234152.7 Ų152.788%0.88381%0.808SS**PPolyproline II helixtrans-88.9133.5177.5179.6176.8179.4166-1.3109.4Q848R846-Q848 PolarHBondContact O-N 3.02Å; R846-Q848 VanDerWaalsContact O-N 3.1Å
847K40.9Very low39.2Very low189 Ų189151.3 Ų151.382%0.82280%0.804SS**PPolyproline II helixtrans-54.9116.5172.6-87.3-165172.1-166.30110.9
848Q40.6Very low38.7Very low188 Ų188153.3 Ų153.388%0.87980%0.802SS**  trans-136.2104137-76.7-169.5-20.900107.2R846R846-Q848 PolarHBondContact O-N 3.02Å; R846-Q848 VanDerWaalsContact O-N 3.1Å
849Q38.6Very low38.9Very low157 Ų157156.8 Ų156.873%0.73480%0.801SS**  trans-103.2122.1153.7-83.8175.4-61.400105.9
850H35.9Very low39.1Very low178 Ų178157.3 Ų157.382%0.82479%0.793SS**  trans-137.694.7136.6-108.8-86.4000105.2
851V36.3Very low39.5Very low131 Ų131158.8 Ų158.879%0.79479%0.788SS**  trans-74.6127.8161.6176.20000105.4
852I36.1Very low39.6Very low138 Ų138157.1 Ų157.171%0.70878%0.775SS**  trans-128.5114.7170.7-60.8174.6000105.4
853S33.3Very low39Very low112 Ų112153.5 Ų153.578%0.78377%0.773SS**  trans173.369.2152.1-77.40000110.3
854T36.4Very low38.4Very low114 Ų114149.7 Ų149.770%0.69977%0.77SS**  trans-137.885.5149.551.10000101.7
855E45Very low37.5Very low157 Ų157145.5 Ų145.573%0.73476%0.763SS**  81.1158.388.282.2-156.6121.800111.7
856E31.7Very low37.3Very low178 Ų178146.9 Ų146.983%0.83276%0.763SS**  trans54.7139.5179.276.1-164.5158.800121.2
857S34.1Very low36.5Very low101 Ų101144.3 Ų144.371%0.70676%0.761SS**  trans54.3159.2160-780000121
858E33.8Very low36.4Very low166 Ų166143.4 Ų143.478%0.77676%0.76SS**  cis-162.5169.9-27.9-163.7155.3157.600109.7
859M32.2Very low36.1Very low147 Ų147143.2 Ų143.272%0.72476%0.756SS**  trans-74.3177.8-164.7-42.5-178.3-158.300116.2
860V38.8Very low35.8Very low112 Ų112140.3 Ų140.368%0.67976%0.759SS**  trans62.8158.8153.3-70.30000119.9
861E38.6Very low36.2Very low137 Ų137138 Ų13864%0.6476%0.759SS**  cis-150.2-152.7-42.4-133.4160-144.800109.7R903E861-R903 IonicContact OE1-CZ 3.27Å; E861-R903 VanDerWaalsContact OE1-CZ 3.27Å; E861-R903 IonicContact OE1-NE 3.04Å; E861-R903 PolarHBondContact OE1-NE 3.24Å; E861-R903 IonicContact OE1-NH2 2.67Å; E861-R903 PolarHBondContact OE1-NH2 2.99Å
862T43.5Very low36Very low106 Ų106135.7 Ų135.765%0.6576%0.763SS**  trans-101.6176.2-162.555.90000116.5
863N32Very low35.8Very low154 Ų154139.2 Ų139.282%0.82477%0.767SS**  trans87.4159.3167.6-44.1-47.4000114.4
864S32.1Very low36.6Very low110 Ų110138.6 Ų138.677%0.76976%0.761SS**  cis-147.4163.619.7-167.70000115.5
865T33.8Very low36.6Very low121 Ų121141.2 Ų141.274%0.74277%0.768SS**  trans-33.6144.2160.2-49.60000117.3
866D34.8Very low35.9Very low155 Ų155139.5 Ų139.583%0.82977%0.774SS**  -164.2172.2116-151.211.2000114.1
867E38.5Very low35.9Very low179 Ų179134.6 Ų134.684%0.83677%0.771SS**  trans-101.5-171.2-170.8-79.5-127.974.400116.5
868E37.5Very low35.7Very low170 Ų170141.6 Ų141.679%0.79478%0.782SS**  trans77.985.9154.8-149.1168.2145.100122.6
869K35.9Very low35.7Very low185 Ų185138 Ų13880%0.80478%0.781SS**  43.375.9112.1-164.3-163.9170.7-169.20120.6
870A31.7Very low35.6Very low95 Ų95139.3 Ų139.379%0.78579%0.785SS**  trans63.9-174.9140.200000118
871P44.4Very low35.6Very low129 Ų129143.6 Ų143.684%0.83879%0.789SS**  cis-119.6152.7-28.836.2-22.9000113.1
872G32Very low36.1Very low84 Ų84146.9 Ų146.987%0.86680%0.796SS**  trans165.4150.1164.900000118.4
873R32Very low35.8Very low212 Ų212150.3 Ų150.380%0.880%0.804SS**  trans-118.1164.8163.5-106-171.4174.4-1251.7107.1
874P49.3Very low36.6Very low99 Ų99147 Ų14764%0.64379%0.794SS**  cis-128.8-165.9-36.439.9-24.2000109.6
875I36.2Very low37.3Very low168 Ų168146.7 Ų146.786%0.86279%0.789SS**  -178.6157.9129.6-94.9154.8000109.6
876S31.5Very low38.1Very low121 Ų121146.5 Ų146.585%0.84679%0.79SS**  trans-91.2135.8177.31710000111.2
877G30.7Very low38.8Very low75 Ų75149.7 Ų149.777%0.77379%0.79SS**  trans-164.9129.9171.200000112.3
878R31.3Very low39.6Very low248 Ų248146.4 Ų146.494%0.93678%0.775SS**  trans-99.7149.3167-92.3-174.8170.2-162.32.3108.9
879A33.7Very low40.4Very low92 Ų92144.4 Ų144.476%0.7676%0.761SS**  trans64.9165.316100000115.1
880E29.9Very low41.5Very low173 Ų173138.8 Ų138.881%0.80874%0.742SS**  cis-128.3-171-2.6-161.9150.5146.600112.2
881R39.3Very low43.2Very low203 Ų203135.7 Ų135.777%0.76671%0.712SS**  trans-64.1166.3-170.4-60.4170.7160.1-80.56.3115.1
882R48.6Very low44.1Very low205 Ų205137.2 Ų137.277%0.77471%0.708SS**  trans72.395.9148-68.9-114.7-168.1-151.65.9117
883E35.8Very low45.7Very low178 Ų178140.8 Ų140.883%0.83270%0.702SS**  trans-125.1132.4132.3-167.574.7-106.300105.9
884S49Very low47.1Very low86 Ų86133.1 Ų133.160%0.60169%0.689SS**  trans-15491.2-179.961.50000112.4
885P47.8Very low47.7Very low103 Ų103131.7 Ų131.767%0.66968%0.678SS**  trans-115.5159.7176.528.2-11.1000113.7
886P50.2Low49.2Very low117 Ų117130.7 Ų130.776%0.7666%0.664SS**  cis-124129.9-16.333.9-17.2000113.4
887R50.1Low50.7Low222 Ų222132.1 Ų132.184%0.83865%0.652SS**  trans42.5105.2134.4-156.7163.4-171.2152.6-3.4117.3Y889R887-Y889 PolarHBondContact O-N 3.06Å; R887-Y889 VanDerWaalsContact O-N 3.09Å
888E54.5Low52.5Low110 Ų110133.4 Ų133.451%0.51464%0.644SS.*  trans-50.6116.8144.7-68-175.4150.500107.4V890 R896E888-V890 PolarHBondContact O-N 3.29Å; E888-R896 IonicContact OE1-NH1 3.66Å; E888-R896 PolarHBondContact OE1-NH1 3Å; E888-R896 WeakPolarHBondContact OE2-CD 3.5Å; E888-R896 IonicContact OE2-CZ 3.18Å; E888-R896 IonicContact OE2-NE 3.79Å; E888-R896 IonicContact OE2-NH1 3.5Å; E888-R896 PolarHBondContact OE2-NH1 2.95Å
889Y55Low53.7Low128 Ų128127.9 Ų127.950%0.50264%0.64SS.*  trans-78.5107.7167.8-172.9-105.1000107.4R887 D891 E892R887-Y889 PolarHBondContact O-N 3.06Å; R887-Y889 VanDerWaalsContact O-N 3.09Å; Y889-D891 HydrophobicContact CD1-CB 4.49Å; Y889-D891 HydrophobicContact CE1-CB 3.83Å; Y889-E892 PolarHBondContact OH-OE1 2.72Å
890V58.9Low54.6Low67 Ų67129.9 Ų129.941%0.40664%0.643SS.*BIsolated β-bridgetrans-79129.8154.7-156.10000105.9E888 G894 V895 R896E888-V890 PolarHBondContact O-N 3.29Å; V890-G894 VanDerWaalsContact CG1-CA 3.48Å; V890-V895 WeakPolarHBondContact CA-O 3.35Å; V890-R896 HydrophobicContact CB-CG 4.24Å; V890-R896 HydrophobicContact CG1-CG 4.1Å; V890-R896 HydrophobicContact CG2-CG 3.8Å
891D66.6Low56Low30 Ų30132.6 Ų132.616%0.1665%0.646CS.*  trans-71.9170.516655.924000111.3Y889 E893 G894 V895 Y897Y889-D891 HydrophobicContact CD1-CB 4.49Å; Y889-D891 HydrophobicContact CE1-CB 3.83Å; D891-E893 PolarHBondContact O-N 3.1Å; D891-G894 PolarHBondContact O-N 3.46Å; D891-G894 PolarHBondContact OD1-N 3.5Å; D891-G894 VanDerWaalsContact OD1-N 3.09Å; D891-V895 PolarHBondContact N-O 2.72Å; D891-V895 VanDerWaalsContact N-O 3.08Å; D891-V895 WeakPolarHBondContact OD1-CA 3.33Å; D891-V895 WeakPolarHBondContact OD1-CB 3.26Å; D891-V895 PolarHBondContact OD1-N 2.86Å; D891-Y897 VanDerWaalsContact OD2-CE2 3.26Å; D891-Y897 WeakPolarHBondContact OD2-CE2 3.44Å; D891-Y897 PolarHBondContact OD2-OH 2.8Å; D891-Y897 VanDerWaalsContact OD2-OH 3.07Å
892E63.6Low56.8Low161 Ų161128.8 Ų128.875%0.75265%0.647SS**THydrogen-bonded Turntrans-62.9-24.1-176.5-38-59.2128.800111.4Y889Y889-E892 PolarHBondContact OH-OE1 2.72Å
893E66.2Low57Low159 Ų159127 Ų12774%0.74364%0.64SS**THydrogen-bonded Turntrans-81.9-8.7175-68.274.4-165.400114.8D891D891-E893 PolarHBondContact O-N 3.1Å
894G60.8Low57.8Low51 Ų51123.8 Ų123.853%0.52664%0.635SS.*SBendtrans99.37.6172.100000116.7V890 D891V890-G894 VanDerWaalsContact CG1-CA 3.48Å; D891-G894 PolarHBondContact O-N 3.46Å; D891-G894 PolarHBondContact OD1-N 3.5Å; D891-G894 VanDerWaalsContact OD1-N 3.09Å
895V61.3Low58.1Low69 Ų69125.7 Ų125.742%0.41865%0.646SS.*  trans-91.1135.9-177.4-172.20000111.2V890 D891 Y897V890-V895 WeakPolarHBondContact CA-O 3.35Å; D891-V895 PolarHBondContact N-O 2.72Å; D891-V895 VanDerWaalsContact N-O 3.08Å; D891-V895 WeakPolarHBondContact OD1-CA 3.33Å; D891-V895 WeakPolarHBondContact OD1-CB 3.26Å; D891-V895 PolarHBondContact OD1-N 2.86Å; V895-Y897 HydrophobicContact CB-CE2 4.1Å; V895-Y897 HydrophobicContact CG1-CE1 4.17Å; V895-Y897 HydrophobicContact CG1-CE2 3.95Å
896R67.6Low58.4Low147 Ų147128.4 Ų128.456%0.55565%0.653SS**BIsolated β-bridgetrans-109.2127.6179.2-73.4-171-74.81532111.9E888 V890E888-R896 IonicContact OE1-NH1 3.66Å; E888-R896 PolarHBondContact OE1-NH1 3Å; E888-R896 WeakPolarHBondContact OE2-CD 3.5Å; E888-R896 IonicContact OE2-CZ 3.18Å; E888-R896 IonicContact OE2-NE 3.79Å; E888-R896 IonicContact OE2-NH1 3.5Å; E888-R896 PolarHBondContact OE2-NH1 2.95Å; V890-R896 HydrophobicContact CB-CG 4.24Å; V890-R896 HydrophobicContact CG1-CG 4.1Å; V890-R896 HydrophobicContact CG2-CG 3.8Å
897Y63.3Low58.8Low150 Ų150127.2 Ų127.259%0.58864%0.644SS**  trans-106122.9-179.4-58.1-89.5000111.7D891 V895D891-Y897 VanDerWaalsContact OD2-CE2 3.26Å; D891-Y897 WeakPolarHBondContact OD2-CE2 3.44Å; D891-Y897 PolarHBondContact OD2-OH 2.8Å; D891-Y897 VanDerWaalsContact OD2-OH 3.07Å; V895-Y897 HydrophobicContact CB-CE2 4.1Å; V895-Y897 HydrophobicContact CG1-CE1 4.17Å; V895-Y897 HydrophobicContact CG1-CE2 3.95Å
898V68.7Low59.3Low103 Ų103123.8 Ų123.862%0.62464%0.641SS**  trans-121.7114.8178.3-179.10000109.5V900V898-V900 PolarHBondContact O-N 3.27Å
899P56.1Low59.7Low131 Ų131126.8 Ų126.885%0.85166%0.66SS**  trans-71.4112.2180-20.233.2000112.8
900V54.2Low59.5Low135 Ų135131.2 Ų131.282%0.81868%0.676SS**PPolyproline II helixtrans-91127.7178.4-177.40000111V898V898-V900 PolarHBondContact O-N 3.27Å
901R58.3Low59.3Low229 Ų229135.2 Ų135.286%0.86469%0.69SS**PPolyproline II helixtrans-101.4126-179.3-163.5172-170.4153.53.4111.8
902P55.6Low58.7Low123 Ų123141.4 Ų141.480%0.79971%0.712SS**PPolyproline II helixtrans-64.5144.4177.7-22.934000113.4
903R54.1Low58.3Low167 Ų167144.8 Ų144.863%0.6372%0.718SS**PPolyproline II helixtrans-100.8148.5177.6-88.7-176.1172161.6-3.9113.2E861E861-R903 IonicContact OE1-CZ 3.27Å; E861-R903 VanDerWaalsContact OE1-CZ 3.27Å; E861-R903 IonicContact OE1-NE 3.04Å; E861-R903 PolarHBondContact OE1-NE 3.24Å; E861-R903 IonicContact OE1-NH2 2.67Å; E861-R903 PolarHBondContact OE1-NH2 2.99Å
904P51.3Low57.8Low111 Ų111139.7 Ų139.772%0.72170%0.695SS**PPolyproline II helixtrans-69.9157177.5-18.532.7000114.4
905P55.1Low57.7Low127 Ų127141.7 Ų141.783%0.82570%0.699SS**PPolyproline II helixtrans-74.9144.7-179.830.8-35.5000113.3
906I55.2Low57.4Low160 Ų160147.4 Ų147.482%0.82171%0.713SS**PPolyproline II helixtrans-96.8135.1-177.4-58171.6000110.1
907T58.7Low57Low92 Ų92149.8 Ų149.856%0.56473%0.728SS**  trans-115.8135.7172.166.30000111.6
908L60.9Low56.9Low150 Ų150144.9 Ų144.979%0.78572%0.718SS**SBendtrans-75.7-28-171.8-64.2172.5000113.8
909L61.3Low56.4Low172 Ų172142.8 Ų142.890%0.90171%0.712SS**THydrogen-bonded Turntrans-81.8-26.2-159.3-165.362.5000115.2
910R52.7Low56.4Low222 Ų222147.1 Ų147.184%0.83871%0.713SS**THydrogen-bonded Turntrans-102.4-10.9179.6-75.2-169.6174.2-170.1-0.5114.7
911H54.3Low56.7Low151 Ų151148.7 Ų148.770%0.69971%0.711SS**THydrogen-bonded Turntrans-130.917.2-166.2-62.7-32.9000115.6R913H911-R913 PolarHBondContact O-N 3.44Å
912Y52.8Low57.2Low159 Ų159144.5 Ų144.562%0.62470%0.701SS**  trans-7362.1166.3-157-91.2000112.6N914Y912-N914 VanDerWaalsContact C-N 3.3Å; Y912-N914 HydrophobicContact CD1-CB 4.36Å; Y912-N914 HydrophobicContact CE1-CB 3.75Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.47Å; Y912-N914 PolarHBondContact O-N 3Å; Y912-N914 VanDerWaalsContact O-N 3.16Å; Y912-N914 PolarHBondContact OH-OD1 3.3Å
913R56.1Low58Low233 Ų233144.5 Ų144.588%0.87969%0.689SS**  trans-82.880.6166-170.9-176.8-166.6-178.55.9107.5H911 P915H911-R913 PolarHBondContact O-N 3.44Å; R913-P915 WeakPolarHBondContact O-CD 3.35Å
914N55.9Low58.7Low51 Ų51142.1 Ų142.127%0.27369%0.685SS.*  trans-30.9100.4-174.1-161.431.9000112.3Y912 Q924Y912-N914 VanDerWaalsContact C-N 3.3Å; Y912-N914 HydrophobicContact CD1-CB 4.36Å; Y912-N914 HydrophobicContact CE1-CB 3.75Å; Y912-N914 WeakPolarHBondContact CE1-OD1 3.47Å; Y912-N914 PolarHBondContact O-N 3Å; Y912-N914 VanDerWaalsContact O-N 3.16Å; Y912-N914 PolarHBondContact OH-OD1 3.3Å; N914-Q924 PolarHBondContact ND2-OE1 3.03Å
915P57.6Low59.9Low94 Ų94145.6 Ų145.661%0.6168%0.683SS**  trans-78-30.1-163.728.5-34.5000111.9R913 K917R913-P915 WeakPolarHBondContact O-CD 3.35Å; P915-K917 PolarHBondContact O-N 2.81Å
916W56.3Low60.2Low188 Ų188148 Ų14871%0.71268%0.677SS**SBendtrans-63.4115165.2-12.3100.4000107.7A918W916-A918 PolarHBondContact O-N 2.84Å
917K59.2Low61Low197 Ų197144.1 Ų144.186%0.85766%0.664SS**PPolyproline II helixtrans-51121163.2-67.2179.2-175.2-67.30106.7P915 A919P915-K917 PolarHBondContact O-N 2.81Å; K917-A919 PolarHBondContact O-N 3.06Å
918A61Low61.6Low47 Ų47143.1 Ų143.139%0.38866%0.655SS.*PPolyproline II helixtrans-47.9121.317400000107.9W916 H922W916-A918 PolarHBondContact O-N 2.84Å; A918-H922 HydrophobicContact CB-CB 4.21Å
919A58.4Low62Low59 Ų59140.9 Ų140.949%0.48864%0.643SS.*PPolyproline II helixtrans-53.9146.8-173.700000109.2K917 H921 H922K917-A919 PolarHBondContact O-N 3.06Å; A919-H921 PolarHBondContact O-N 3.29Å; A919-H922 WeakPolarHBondContact O-CB 3.41Å; A919-H922 PolarHBondContact O-N 2.95Å
920Y55.6Low62.7Low222 Ų222142.9 Ų142.987%0.87164%0.639SS**THydrogen-bonded Turntrans-48.1123.1175.1-75.6-91.4000108.8
921H60Low63.7Low169 Ų169138.9 Ų138.978%0.78264%0.639SS**THydrogen-bonded Turntrans846.8-172.8-37-55.7000118.4A919A919-H921 PolarHBondContact O-N 3.29Å
922H68.1Low64.7Low141 Ų141140.5 Ų140.565%0.65364%0.644SS**  trans-91126.1163.3-82.963.2000111.2A918 A919A918-H922 HydrophobicContact CB-CB 4.21Å; A919-H922 WeakPolarHBondContact O-CB 3.41Å; A919-H922 PolarHBondContact O-N 2.95Å
923F72.3Confident65.3Low123 Ų123141.3 Ų141.354%0.53965%0.653SS.*  trans-93.9129.5176.8-56.3-77.5000109.3D928 I929F923-D928 HydrophobicContact CB-CB 4.1Å; F923-D928 HydrophobicContact CD1-CB 3.73Å; F923-D928 WeakPolarHBondContact CD1-O 3.44Å; F923-D928 WeakPolarHBondContact CE1-O 3.14Å; F923-D928 HydrophobicContact CG-CB 4.41Å; F923-I929 HydrophobicContact CB-CD1 4.13Å; F923-I929 HydrophobicContact CB-CG1 3.72Å; F923-I929 HydrophobicContact CD1-CG1 3.7Å; F923-I929 HydrophobicContact CD2-CD1 3.95Å; F923-I929 HydrophobicContact CD2-CG1 3.65Å; F923-I929 HydrophobicContact CE1-CG1 4.16Å; F923-I929 HydrophobicContact CE2-CG1 4.14Å; F923-I929 HydrophobicContact CG-CD1 4.05Å; F923-I929 HydrophobicContact CG-CG1 3.4Å; F923-I929 HydrophobicContact CZ-CG1 4.37Å
924Q70.7Confident65.5Low117 Ų117138.8 Ų138.855%0.54765%0.651SS.*SBendtrans-97.8-20.8-175.2-161.877.279.900111.8N914 D928N914-Q924 PolarHBondContact ND2-OE1 3.03Å; Q924-D928 PolarHBondContact N-OD2 3.42Å
925R75.7Confident66.4Low183 Ų183143.8 Ų143.869%0.69167%0.671SS**SBendtrans-139.3155.7177.8-57.7178.4178.8-138.2-4.1110.5S927 D928R925-S927 VanDerWaalsContact CB-OG 3.26Å; R925-S927 WeakPolarHBondContact CB-OG 3.46Å; R925-S927 PolarHBondContact O-N 3.16Å; R925-D928 PolarHBondContact N-OD2 2.7Å; R925-D928 WeakPolarHBondContact O-CB 3.45Å; R925-D928 VanDerWaalsContact O-CG 3.28Å; R925-D928 PolarHBondContact O-N 3.16Å
926Y62.1Low66.9Low178 Ų178148.4 Ų148.470%0.69868%0.681SS**G310 helixtrans-57.9-29.1174.3-62.2-77.7000113.3S422 D928 I929S422-Y926 WeakPolarHBondContact O-CE1 3.27Å; Y926-D928 PolarHBondContact O-N 3.14Å; Y926-I929 PolarHBondContact O-N 3.1Å
927S71.4Confident67.5Low79 Ų79143.4 Ų143.455%0.55267%0.674SS**G310 helixtrans-60.4-26.1173.549.60000114.5R925 I929R925-S927 VanDerWaalsContact CB-OG 3.26Å; R925-S927 WeakPolarHBondContact CB-OG 3.46Å; R925-S927 PolarHBondContact O-N 3.16Å; S927-I929 VanDerWaalsContact C-N 3.3Å
928D72Confident68.8Low70 Ų70136.6 Ų136.637%0.37465%0.651SS.*G310 helixtrans-79.2-24.3-173.8-46.1-14000110.1F923 Q924 R925 Y926 R930F923-D928 HydrophobicContact CB-CB 4.1Å; F923-D928 HydrophobicContact CD1-CB 3.73Å; F923-D928 WeakPolarHBondContact CD1-O 3.44Å; F923-D928 WeakPolarHBondContact CE1-O 3.14Å; F923-D928 HydrophobicContact CG-CB 4.41Å; Q924-D928 PolarHBondContact N-OD2 3.42Å; R925-D928 PolarHBondContact N-OD2 2.7Å; R925-D928 WeakPolarHBondContact O-CB 3.45Å; R925-D928 VanDerWaalsContact O-CG 3.28Å; R925-D928 PolarHBondContact O-N 3.16Å; Y926-D928 PolarHBondContact O-N 3.14Å; D928-R930 VanDerWaalsContact C-N 3.31Å; D928-R930 PolarHBondContact O-N 3.26Å
929I68.3Low70Confident104 Ų104137.2 Ų137.253%0.53365%0.647SS.*  trans-87.270.7171.1-50177.3000108.9F923 Y926 S927F923-I929 HydrophobicContact CB-CD1 4.13Å; F923-I929 HydrophobicContact CB-CG1 3.72Å; F923-I929 HydrophobicContact CD1-CG1 3.7Å; F923-I929 HydrophobicContact CD2-CD1 3.95Å; F923-I929 HydrophobicContact CD2-CG1 3.65Å; F923-I929 HydrophobicContact CE1-CG1 4.16Å; F923-I929 HydrophobicContact CE2-CG1 4.14Å; F923-I929 HydrophobicContact CG-CD1 4.05Å; F923-I929 HydrophobicContact CG-CG1 3.4Å; F923-I929 HydrophobicContact CZ-CG1 4.37Å; Y926-I929 PolarHBondContact O-N 3.1Å; S927-I929 VanDerWaalsContact C-N 3.3Å
930R77.3Confident71.4Confident214 Ų214137.5 Ų137.581%0.80864%0.639SS**  trans-71.9135.4161-65.5-178.865.5170.5-0.4108.2D928 K932D928-R930 VanDerWaalsContact C-N 3.31Å; D928-R930 PolarHBondContact O-N 3.26Å; R930-K932 PolarHBondContact O-N 3.19Å
931V73.4Confident73Confident138 Ų138129.7 Ų129.784%0.83661%0.612SS**  trans-55114.9165.3175.40000106.7E933V931-E933 PolarHBondContact O-N 3.28Å
932K74.1Confident74.3Confident185 Ų185125.4 Ų125.480%0.80459%0.593SS**  trans-65.4104.4175.6178.5-172.2174.8-168.90106.7R930 E934R930-K932 PolarHBondContact O-N 3.19Å; K932-E934 PolarHBondContact O-N 3.44Å
933E66.9Low75.3Confident176 Ų176119.3 Ų119.382%0.82257%0.567SS**  trans-51.6120.1166.2-68.7-171.6151.300107.6V931 K935V931-E933 PolarHBondContact O-N 3.28Å; E933-K935 VanDerWaalsContact C-N 3.28Å; E933-K935 PolarHBondContact O-N 3.2Å
934E59.9Low76.1Confident180 Ų180116.9 Ų116.984%0.84156%0.56SS**  trans-63.6101163.8-77.4-150.2115.500106.7K932 K936K932-E934 PolarHBondContact O-N 3.44Å; E934-K936 PolarHBondContact O-N 3.03Å
935K73.9Confident77Confident155 Ų155115.3 Ų115.367%0.67455%0.553SS**  trans-52.596.1164.6-177.9-140.4178-155.80106.3E933 C937 D941E933-K935 VanDerWaalsContact C-N 3.28Å; E933-K935 PolarHBondContact O-N 3.2Å; K935-C937 PolarHBondContact O-N 3.46Å; K935-D941 IonicContact NZ-OD1 2.72Å; K935-D941 PolarHBondContact NZ-OD1 3.29Å; K935-D941 IonicContact NZ-OD2 2.76Å; K935-D941 PolarHBondContact NZ-OD2 3.42Å
936K68.3Low77.6Confident192 Ų192118.3 Ų118.384%0.83556%0.564SS**  trans-42.7115.5-171.9-67.2-178.6179.5179.40107.9E934 S938E934-K936 PolarHBondContact O-N 3.03Å; K936-S938 PolarHBondContact O-N 3.05Å
937C69.4Low78.9Confident83 Ų83111.7 Ų111.756%0.56155%0.55SS*.  trans-54.9105-173.4-1760000107.6K935K935-C937 PolarHBondContact O-N 3.46Å
938S85.6Confident79.8Confident53 Ų53108.9 Ų108.937%0.37153%0.53SS..  trans-64.5150.5-168179.80000108.6K936 Q940 D941 M942K936-S938 PolarHBondContact O-N 3.05Å; S938-Q940 CarbonylContact O-C 3.59Å; S938-Q940 PolarHBondContact O-N 3.49Å; S938-Q940 WeakPolarHBondContact OG-CB 3.45Å; S938-Q940 PolarHBondContact OG-N 3.32Å; S938-D941 WeakPolarHBondContact CB-OD2 3.37Å; S938-D941 PolarHBondContact N-OD2 2.88Å; S938-D941 CarbonylContact O-C 3.6Å; S938-D941 WeakPolarHBondContact O-CA 3.42Å; S938-D941 PolarHBondContact O-N 3.01Å; S938-M942 PolarHBondContact O-N 3.08Å
939L87.1Confident80.6Confident60 Ų60107.5 Ų107.531%0.31453%0.528SS..Hα-helixtrans-54.3-29.5169.5-172.658.8000110.7M942 A943 L1038 N1042L939-M942 HydrophobicContact CD1-CE 3.73Å; L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.08Å; L939-L1038 HydrophobicContact CD2-CB 4.39Å; L939-L1038 HydrophobicContact CD2-CD2 4.31Å; L939-N1042 HydrophobicContact CD2-CB 4.38Å; L939-N1042 VanDerWaalsContact CD2-OD1 3.27Å; L939-N1042 WeakPolarHBondContact CD2-OD1 3.47Å; L939-N1042 HydrophobicContact CG-CB 3.9Å
940Q88Confident81.5Confident66 Ų66106.4 Ų106.431%0.30853%0.528SS..Hα-helixtrans-64.9-45.1168.117960.691.200113.9S938 N944 N1042S938-Q940 CarbonylContact O-C 3.59Å; S938-Q940 PolarHBondContact O-N 3.49Å; S938-Q940 WeakPolarHBondContact OG-CB 3.45Å; S938-Q940 PolarHBondContact OG-N 3.32Å; Q940-N944 PolarHBondContact NE2-ND2 2.82Å; Q940-N944 PolarHBondContact NE2-OD1 2.88Å; Q940-N944 VanDerWaalsContact NE2-OD1 3.16Å; Q940-N944 WeakPolarHBondContact O-CB 3.32Å; Q940-N944 PolarHBondContact O-N 3.13Å; Q940-N944 VanDerWaalsContact O-N 3.14Å; Q940-N944 PolarHBondContact O-ND2 3.42Å; Q940-N1042 VanDerWaalsContact CD-O 3.25Å; Q940-N1042 PolarHBondContact NE2-O 3.33Å; Q940-N1042 PolarHBondContact OE1-O 3.27Å
941D88.4Confident82.2Confident58 Ų58104.2 Ų104.231%0.3152%0.52SS..Hα-helixtrans-70.3-37.7-180-64.7-41.4000110.8K935 S938 N944K935-D941 IonicContact NZ-OD1 2.72Å; K935-D941 PolarHBondContact NZ-OD1 3.29Å; K935-D941 IonicContact NZ-OD2 2.76Å; K935-D941 PolarHBondContact NZ-OD2 3.42Å; S938-D941 WeakPolarHBondContact CB-OD2 3.37Å; S938-D941 PolarHBondContact N-OD2 2.88Å; S938-D941 CarbonylContact O-C 3.6Å; S938-D941 WeakPolarHBondContact O-CA 3.42Å; S938-D941 PolarHBondContact O-N 3.01Å; D941-N944 PolarHBondContact O-N 3.5Å
942M88Confident83Confident78 Ų7898.7 Ų98.738%0.38449%0.489SS..Hα-helixtrans-68.2-45.4174.9-176.3163.261.300112.1S938 L939 N944 Q945 V948 L1039S938-M942 PolarHBondContact O-N 3.08Å; L939-M942 HydrophobicContact CD1-CE 3.73Å; M942-N944 PolarHBondContact O-N 2.77Å; M942-Q945 WeakPolarHBondContact O-CB 3.37Å; M942-Q945 WeakPolarHBondContact O-CG 3.4Å; M942-Q945 PolarHBondContact O-N 3.07Å; M942-Q945 VanDerWaalsContact O-N 3.08Å; M942-V948 HydrophobicContact CG-CG2 4.36Å; M942-L1039 HydrophobicContact CG-CD2 4.28Å
943A88.6Confident83.9Confident13 Ų1394.4 Ų94.411%0.10747%0.472CS..Hα-helixtrans-62.2-28175.100000113.3L939 Q945 L1039 N1042L939-A943 WeakPolarHBondContact O-CB 3.37Å; L939-A943 PolarHBondContact O-N 3.08Å; A943-Q945 VanDerWaalsContact C-N 3.3Å; A943-Q945 PolarHBondContact O-N 3.31Å; A943-L1039 HydrophobicContact CB-CD2 4.18Å; A943-L1039 WeakPolarHBondContact CB-O 3.42Å; A943-N1042 VanDerWaalsContact CB-C 3.44Å; A943-N1042 HydrophobicContact CB-CB 3.99Å; A943-N1042 WeakPolarHBondContact CB-O 3.2Å
944N88.9Confident85.2Confident73 Ų7386.3 Ų86.339%0.3944%0.436SS..THydrogen-bonded Turntrans-79.2-4.3175.7-70.3-21.3000114.2Q940 D941 M942 R946 T1044Q940-N944 PolarHBondContact NE2-ND2 2.82Å; Q940-N944 PolarHBondContact NE2-OD1 2.88Å; Q940-N944 VanDerWaalsContact NE2-OD1 3.16Å; Q940-N944 WeakPolarHBondContact O-CB 3.32Å; Q940-N944 PolarHBondContact O-N 3.13Å; Q940-N944 VanDerWaalsContact O-N 3.14Å; Q940-N944 PolarHBondContact O-ND2 3.42Å; D941-N944 PolarHBondContact O-N 3.5Å; M942-N944 PolarHBondContact O-N 2.77Å; N944-R946 PolarHBondContact O-N 3.38Å; N944-T1044 PolarHBondContact OD1-N 3.18Å; N944-T1044 VanDerWaalsContact OD1-N 3.16Å; N944-T1044 PolarHBondContact OD1-OG1 2.75Å
945Q90.5Very high86.8Confident83 Ų8384.2 Ų84.239%0.38842%0.42SS..SBendtrans-69.6127.2177.1-65.7-176.92700111.4M942 A943 G947 V948M942-Q945 WeakPolarHBondContact O-CB 3.37Å; M942-Q945 WeakPolarHBondContact O-CG 3.4Å; M942-Q945 PolarHBondContact O-N 3.07Å; M942-Q945 VanDerWaalsContact O-N 3.08Å; A943-Q945 VanDerWaalsContact C-N 3.3Å; A943-Q945 PolarHBondContact O-N 3.31Å; Q945-G947 PolarHBondContact O-N 3.04Å; Q945-V948 HydrophobicContact CB-CB 4.16Å; Q945-V948 WeakPolarHBondContact O-CB 3.48Å; Q945-V948 WeakPolarHBondContact O-CG1 3.18Å; Q945-V948 PolarHBondContact O-N 2.99Å
946R88.3Confident87.9Confident246 Ų24683.8 Ų83.893%0.92842%0.418SS*.THydrogen-bonded Turntrans-58.4115.2-178.4-171.7-176.7-173.3-81-0.8111.1N944N944-R946 PolarHBondContact O-N 3.38Å
947G87.6Confident89.2Confident39 Ų3976.7 Ų76.740%0.40239%0.389SS..THydrogen-bonded Turntrans83.515.7178.600000114.9Q945 A949 C950 R951Q945-G947 PolarHBondContact O-N 3.04Å; G947-A949 VanDerWaalsContact C-N 3.29Å; G947-A949 PolarHBondContact O-N 3.04Å; G947-C950 WeakPolarHBondContact O-CB 3.44Å; G947-C950 PolarHBondContact O-N 3.07Å; G947-R951 PolarHBondContact O-N 3.32Å
948V91.1Very high90.5Very high21 Ų2176.8 Ų76.813%0.12738%0.381CS..Hα-helixtrans-57.3-38.2178.168.30000113.1M942 Q945 C950 R951 A952 L1039M942-V948 HydrophobicContact CG-CG2 4.36Å; Q945-V948 HydrophobicContact CB-CB 4.16Å; Q945-V948 WeakPolarHBondContact O-CB 3.48Å; Q945-V948 WeakPolarHBondContact O-CG1 3.18Å; Q945-V948 PolarHBondContact O-N 2.99Å; V948-C950 PolarHBondContact O-N 3.02Å; V948-R951 WeakPolarHBondContact O-CB 3.45Å; V948-R951 PolarHBondContact O-N 2.86Å; V948-R951 VanDerWaalsContact O-N 3.11Å; V948-A952 PolarHBondContact O-N 3.11Å; V948-L1039 HydrophobicContact CG1-CD1 4.31Å; V948-L1039 HydrophobicContact CG1-CD2 4.09Å; V948-L1039 HydrophobicContact CG2-CD1 3.93Å; V948-L1039 HydrophobicContact CG2-CD2 3.79Å
949A88.8Confident91Very high41 Ų4178.6 Ų78.634%0.33939%0.386SS..Hα-helixtrans-60.5-41.8173.400000112.7G947 R951 A952 Q953 L1036G947-A949 VanDerWaalsContact C-N 3.29Å; G947-A949 PolarHBondContact O-N 3.04Å; A949-R951 VanDerWaalsContact C-N 3.3Å; A949-R951 PolarHBondContact O-N 3.25Å; A949-A952 PolarHBondContact O-N 3.44Å; A949-Q953 PolarHBondContact O-N 3.48Å; A949-L1036 HydrophobicContact CB-CD1 3.72Å
950C88.4Confident91.5Very high81 Ų8178 Ų7855%0.54739%0.387SS..Hα-helixtrans-68.3-27.2175175.60000112.5G947 V948 Q953G947-C950 WeakPolarHBondContact O-CB 3.44Å; G947-C950 PolarHBondContact O-N 3.07Å; V948-C950 PolarHBondContact O-N 3.02Å; C950-Q953 WeakPolarHBondContact O-CB 3.32Å
951R90.3Very high92Very high168 Ų16875.2 Ų75.263%0.63437%0.374SS*.Hα-helixtrans-73.7-41.7170.1-66.7177.1174.5-170-4.3111.7G947 V948 A949 Q953 G954G947-R951 PolarHBondContact O-N 3.32Å; V948-R951 WeakPolarHBondContact O-CB 3.45Å; V948-R951 PolarHBondContact O-N 2.86Å; V948-R951 VanDerWaalsContact O-N 3.11Å; A949-R951 VanDerWaalsContact C-N 3.3Å; A949-R951 PolarHBondContact O-N 3.25Å; R951-Q953 PolarHBondContact O-N 3.36Å; R951-G954 PolarHBondContact O-N 2.92Å
952A91.6Very high92.4Very high22 Ų2274.5 Ų74.518%0.18238%0.377CS..Hα-helixtrans-65.1-18.6175.700000113.6V948 A949 G954 V1035 L1039V948-A952 PolarHBondContact O-N 3.11Å; A949-A952 PolarHBondContact O-N 3.44Å; A952-G954 PolarHBondContact O-N 2.78Å; A952-V1035 HydrophobicContact CB-CG1 4.2Å; A952-L1039 HydrophobicContact CB-CD1 3.86Å
953Q91.8Very high92.9Very high95 Ų9576 Ų7644%0.44438%0.383SS..THydrogen-bonded Turntrans-61.6-17.9168.5-171.264.616.100113.3A949 C950 R951 W955A949-Q953 PolarHBondContact O-N 3.48Å; C950-Q953 WeakPolarHBondContact O-CB 3.32Å; R951-Q953 PolarHBondContact O-N 3.36Å; Q953-W955 PolarHBondContact O-N 3.09Å
954G94.3Very high93.4Very high6 Ų677.2 Ų77.26%0.06239%0.387CS..THydrogen-bonded Turntrans77.516.6171.600000115.8R951 A952 K956 I957 H958R951-G954 PolarHBondContact O-N 2.92Å; A952-G954 PolarHBondContact O-N 2.78Å; G954-K956 PolarHBondContact O-N 2.95Å; G954-I957 WeakPolarHBondContact O-CA 3.49Å; G954-I957 WeakPolarHBondContact O-CB 3.35Å; G954-I957 PolarHBondContact O-N 2.93Å; G954-H958 PolarHBondContact O-CD2 3.14Å; G954-H958 PolarHBondContact O-N 3.46Å
955W95Very high93.8Very high135 Ų13580.8 Ų80.851%0.51140%0.395SS..Hα-helixtrans-53.7-30.5-173.771.6-99.8000114.8Q953 L959Q953-W955 PolarHBondContact O-N 3.09Å; W955-L959 HydrophobicContact CZ3-CD2 4.34Å; W955-L959 WeakPolarHBondContact O-CB 3.46Å; W955-L959 PolarHBondContact O-N 3.23Å
956K95.2Very high94.1Very high147 Ų14782 Ų8264%0.63940%0.401SS*.Hα-helixtrans-69-37.8173.9-69.7-168.2171.5-163.20113.4G954 L959 C960G954-K956 PolarHBondContact O-N 2.95Å; K956-L959 PolarHBondContact O-N 3Å; K956-C960 WeakPolarHBondContact O-CB 3.32Å; K956-C960 PolarHBondContact O-N 3.26Å
957I96.5Very high94.6Very high42 Ų4274.1 Ų74.122%0.21538%0.377CS..Hα-helixtrans-68.1-45.1175.5-77.2161000109.2G954 L959 C960 A961 M1025 M1026 V1028 L1029G954-I957 WeakPolarHBondContact O-CA 3.49Å; G954-I957 WeakPolarHBondContact O-CB 3.35Å; G954-I957 PolarHBondContact O-N 2.93Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.96Å; I957-C960 PolarHBondContact O-N 3.45Å; I957-A961 VanDerWaalsContact O-CB 3.32Å; I957-A961 WeakPolarHBondContact O-CB 3.36Å; I957-A961 PolarHBondContact O-N 3.02Å; I957-M1025 HydrophobicContact CG1-CG 4.44Å; I957-M1025 HydrophobicContact CG2-CG 3.97Å; I957-M1026 HydrophobicContact CG2-SD 4.03Å; I957-V1028 HydrophobicContact CD1-CB 4.28Å; I957-V1028 HydrophobicContact CD1-CG1 4.03Å; I957-L1029 HydrophobicContact CB-CD1 4.18Å; I957-L1029 HydrophobicContact CB-CG 4.47Å; I957-L1029 HydrophobicContact CD1-CD2 3.84Å; I957-L1029 HydrophobicContact CD1-CG 4.35Å; I957-L1029 HydrophobicContact CG2-CD1 3.72Å; I957-L1029 HydrophobicContact CG2-CG 3.96Å
958H96.1Very high95.1Very high85 Ų8573.3 Ų73.339%0.39437%0.365SS..Hα-helixtrans-58.9-41.7173-68.2-62.8000113G954 A961 A962 L1029G954-H958 PolarHBondContact O-CD2 3.14Å; G954-H958 PolarHBondContact O-N 3.46Å; H958-A961 PolarHBondContact O-N 3.47Å; H958-A962 WeakPolarHBondContact O-CB 3.38Å; H958-A962 PolarHBondContact O-N 3.4Å; H958-L1029 WeakPolarHBondContact NE2-CD1 3.49Å
959L97Very high95.4Very high91 Ų9174.7 Ų74.748%0.47638%0.376SS..Hα-helixtrans-63.4-44.5176.3-179.961.5000111.8W955 K956 I957 A962 Q963W955-L959 HydrophobicContact CZ3-CD2 4.34Å; W955-L959 WeakPolarHBondContact O-CB 3.46Å; W955-L959 PolarHBondContact O-N 3.23Å; K956-L959 PolarHBondContact O-N 3Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.96Å; L959-A962 WeakPolarHBondContact O-CB 3.28Å; L959-A962 PolarHBondContact O-N 3.49Å; L959-Q963 WeakPolarHBondContact O-CG 3.42Å; L959-Q963 PolarHBondContact O-N 3.07Å
960C97.6Very high95.8Very high49 Ų4977.7 Ų77.733%0.33139%0.386SS..Hα-helixtrans-65.9-40.6176.4-165.80000111.8K956 I957 A962 Q963 L964 M1025K956-C960 WeakPolarHBondContact O-CB 3.32Å; K956-C960 PolarHBondContact O-N 3.26Å; I957-C960 PolarHBondContact O-N 3.45Å; C960-A962 VanDerWaalsContact C-N 3.27Å; C960-A962 PolarHBondContact O-N 3.23Å; C960-Q963 PolarHBondContact O-N 3.15Å; C960-Q963 VanDerWaalsContact O-N 3.12Å; C960-L964 PolarHBondContact O-N 2.83Å; C960-M1025 HydrophobicContact CB-CE 3.77Å; C960-M1025 HydrophobicContact CB-SD 3.73Å; C960-M1025 VanDerWaalsContact SG-SD 3.69Å
961A97.7Very high96.2Very high6 Ų675.9 Ų75.95%0.0537%0.369CS..Hα-helixtrans-63.9-29.6174.700000113I957 H958 R965 R1022 M1025 M1026I957-A961 VanDerWaalsContact O-CB 3.32Å; I957-A961 WeakPolarHBondContact O-CB 3.36Å; I957-A961 PolarHBondContact O-N 3.02Å; H958-A961 PolarHBondContact O-N 3.47Å; A961-R965 PolarHBondContact O-N 3.03Å; A961-R965 VanDerWaalsContact O-N 3.15Å; A961-R1022 HydrophobicContact CB-CG 4.02Å; A961-M1025 HydrophobicContact CB-CE 4.08Å; A961-M1026 HydrophobicContact CB-CG 3.91Å; A961-M1026 HydrophobicContact CB-SD 3.76Å
962A97.9Very high96.6Very high44 Ų4472.6 Ų72.636%0.36436%0.361SS..Hα-helixtrans-72-40.9170.900000111.9H958 L959 C960 R965 Q966H958-A962 WeakPolarHBondContact O-CB 3.38Å; H958-A962 PolarHBondContact O-N 3.4Å; L959-A962 WeakPolarHBondContact O-CB 3.28Å; L959-A962 PolarHBondContact O-N 3.49Å; C960-A962 VanDerWaalsContact C-N 3.27Å; C960-A962 PolarHBondContact O-N 3.23Å; A962-R965 WeakPolarHBondContact O-CB 3.3Å; A962-R965 PolarHBondContact O-N 3Å; A962-Q966 WeakPolarHBondContact O-CG 3.13Å; A962-Q966 PolarHBondContact O-N 3.24Å
963Q98.3Very high96.9Very high109 Ų10975.7 Ų75.751%0.50937%0.374SS..Hα-helixtrans-65.3-40.9175.7-69.8173.9-48.600112.3L959 C960 R965 Q966 L967L959-Q963 WeakPolarHBondContact O-CG 3.42Å; L959-Q963 PolarHBondContact O-N 3.07Å; C960-Q963 PolarHBondContact O-N 3.15Å; C960-Q963 VanDerWaalsContact O-N 3.12Å; Q963-R965 VanDerWaalsContact C-N 3.34Å; Q963-R965 PolarHBondContact O-N 3.45Å; Q963-Q966 WeakPolarHBondContact O-CB 3.48Å; Q963-Q966 PolarHBondContact O-N 3.45Å; Q963-Q966 VanDerWaalsContact O-N 3.17Å; Q963-L967 PolarHBondContact O-N 3.05Å
964L98.1Very high97.2Very high39 Ų3974.3 Ų74.320%0.20437%0.372CS..Hα-helixtrans-64.3-37172.4-68.1-179.1000112.1C960 Q966 L967 S968 V1018 A1021 R1022 M1025C960-L964 PolarHBondContact O-N 2.83Å; L964-Q966 VanDerWaalsContact C-N 3.3Å; L964-Q966 PolarHBondContact O-N 3.05Å; L964-L967 PolarHBondContact O-N 3.43Å; L964-S968 WeakPolarHBondContact O-CB 3.37Å; L964-S968 PolarHBondContact O-N 3.45Å; L964-V1018 HydrophobicContact CB-CG1 4.04Å; L964-V1018 HydrophobicContact CD2-CG1 4.34Å; L964-V1018 WeakPolarHBondContact O-CG1 3.42Å; L964-A1021 HydrophobicContact CD1-CB 4.45Å; L964-R1022 HydrophobicContact CB-CB 4.1Å; L964-R1022 HydrophobicContact CD1-CB 3.97Å; L964-M1025 HydrophobicContact CD1-CE 3.55Å; L964-M1025 HydrophobicContact CG-CE 4.42Å
965R97.6Very high97.4Very high147 Ų14776.2 Ų76.256%0.55538%0.378SS*.Hα-helixtrans-62.2-37.4171.9-166.1-172.170.983.6-1.6112A961 A962 Q963 S968 S969A961-R965 PolarHBondContact O-N 3.03Å; A961-R965 VanDerWaalsContact O-N 3.15Å; A962-R965 WeakPolarHBondContact O-CB 3.3Å; A962-R965 PolarHBondContact O-N 3Å; Q963-R965 VanDerWaalsContact C-N 3.34Å; Q963-R965 PolarHBondContact O-N 3.45Å; R965-S968 PolarHBondContact O-N 2.73Å; R965-S969 PolarHBondContact O-N 3.42Å; R965-S969 PolarHBondContact O-OG 2.82Å
966Q97.8Very high97.5Very high110 Ų11072.6 Ų72.651%0.51437%0.373SS..Hα-helixtrans-67-39.6175-70.2175.8-66.600112.1A962 Q963 L964 S969 L970A962-Q966 WeakPolarHBondContact O-CG 3.13Å; A962-Q966 PolarHBondContact O-N 3.24Å; Q963-Q966 WeakPolarHBondContact O-CB 3.48Å; Q963-Q966 PolarHBondContact O-N 3.45Å; Q963-Q966 VanDerWaalsContact O-N 3.17Å; L964-Q966 VanDerWaalsContact C-N 3.3Å; L964-Q966 PolarHBondContact O-N 3.05Å; Q966-S969 WeakPolarHBondContact CA-OG 3.4Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 3.2Å; Q966-L970 WeakPolarHBondContact O-CG 3.21Å; Q966-L970 PolarHBondContact O-N 3.07Å; Q966-L970 VanDerWaalsContact O-N 3.07Å
967L97.9Very high97.6Very high80 Ų8074.5 Ų74.542%0.41938%0.376SS..Hα-helixtrans-62.6-45.2173.5-178.861.4000111.6Q963 L964 S969 L970 E971 V1018Q963-L967 PolarHBondContact O-N 3.05Å; L964-L967 PolarHBondContact O-N 3.43Å; L967-S969 VanDerWaalsContact C-N 3.35Å; L967-S969 PolarHBondContact O-N 3.14Å; L967-L970 PolarHBondContact O-N 3.21Å; L967-L970 VanDerWaalsContact O-N 3.16Å; L967-E971 PolarHBondContact O-N 3.43Å; L967-V1018 HydrophobicContact CB-CG1 4.38Å; L967-V1018 HydrophobicContact CD2-CG1 4.36Å; L967-V1018 HydrophobicContact CD2-CG2 3.88Å; L967-V1018 HydrophobicContact CG-CG1 4.46Å; L967-V1018 HydrophobicContact CG-CG2 4.33Å
968S97.6Very high97.6Very high22 Ų2273.6 Ų73.615%0.15437%0.372CS..Hα-helixtrans-57.6-42.3174.4166.40000112.4L964 R965 E971 H972L964-S968 WeakPolarHBondContact O-CB 3.37Å; L964-S968 PolarHBondContact O-N 3.45Å; R965-S968 PolarHBondContact O-N 2.73Å; S968-E971 PolarHBondContact O-N 2.87Å; S968-H972 PolarHBondContact O-N 3.11Å
969S97.7Very high97.6Very high50 Ų5070.9 Ų70.935%0.3536%0.362SS..Hα-helixtrans-67-35.4174.6470000113.7R965 Q966 L967 H972 D973R965-S969 PolarHBondContact O-N 3.42Å; R965-S969 PolarHBondContact O-OG 2.82Å; Q966-S969 WeakPolarHBondContact CA-OG 3.4Å; Q966-S969 PolarHBondContact O-N 3.27Å; Q966-S969 PolarHBondContact O-OG 3.2Å; L967-S969 VanDerWaalsContact C-N 3.35Å; L967-S969 PolarHBondContact O-N 3.14Å; S969-H972 WeakPolarHBondContact O-CB 3.44Å; S969-H972 PolarHBondContact O-N 2.89Å; S969-D973 PolarHBondContact O-N 3.48Å
970L97.6Very high97.6Very high104 Ų10470.9 Ų70.955%0.54537%0.366SS..Hα-helixtrans-67.5-38.9175.5-70.3169.7000111.7Q966 L967 H972 D973 V974Q966-L970 WeakPolarHBondContact O-CG 3.21Å; Q966-L970 PolarHBondContact O-N 3.07Å; Q966-L970 VanDerWaalsContact O-N 3.07Å; L967-L970 PolarHBondContact O-N 3.21Å; L967-L970 VanDerWaalsContact O-N 3.16Å; L970-H972 VanDerWaalsContact C-N 3.27Å; L970-H972 PolarHBondContact O-N 3.07Å; L970-D973 PolarHBondContact O-N 3.09Å; L970-V974 WeakPolarHBondContact O-CG2 3.43Å; L970-V974 PolarHBondContact O-N 2.98Å
971E97.5Very high97.4Very high43 Ų4372.8 Ų72.820%0.20137%0.372CS..Hα-helixtrans-66-32.4173.6-158.565.5-156.100111.5L967 S968 V974 Y975 C1011 V1014L967-E971 PolarHBondContact O-N 3.43Å; S968-E971 PolarHBondContact O-N 2.87Å; E971-V974 PolarHBondContact O-N 3.24Å; E971-Y975 WeakPolarHBondContact O-CB 3.18Å; E971-Y975 PolarHBondContact O-N 2.83Å; E971-C1011 HydrophobicContact CG-CB 4.1Å; E971-C1011 WeakPolarHBondContact CG-O 3.36Å; E971-C1011 WeakPolarHBondContact OE1-CA 3.49Å; E971-C1011 PolarHBondContact OE1-SG 2.92Å; E971-V1014 HydrophobicContact CG-CB 4.08Å; E971-V1014 HydrophobicContact CG-CG1 3.87Å
972H97.9Very high97.1Very high99 Ų9974.6 Ų74.646%0.45838%0.38SS..Hα-helixtrans-68.8-39.6173-166.689.7000112.6S968 S969 L970 V974 Y975 S976 M1015S968-H972 PolarHBondContact O-N 3.11Å; S969-H972 WeakPolarHBondContact O-CB 3.44Å; S969-H972 PolarHBondContact O-N 2.89Å; L970-H972 VanDerWaalsContact C-N 3.27Å; L970-H972 PolarHBondContact O-N 3.07Å; H972-V974 VanDerWaalsContact C-N 3.3Å; H972-V974 PolarHBondContact O-N 3.4Å; H972-Y975 PolarHBondContact O-N 2.88Å; H972-S976 VanDerWaalsContact O-CB 3.3Å; H972-S976 WeakPolarHBondContact O-CB 3.34Å; H972-S976 PolarHBondContact O-N 3.35Å; H972-M1015 HydrophobicContact CB-CE 3.74Å; H972-M1015 HydrophobicContact CB-SD 4.1Å
973D97.9Very high96.8Very high86 Ų8678.1 Ų78.146%0.4639%0.389SS..Hα-helixtrans-62.6-37.6172.6-69.8-27.2000111.7S969 L970 R977S969-D973 PolarHBondContact O-N 3.48Å; L970-D973 PolarHBondContact O-N 3.09Å; D973-R977 VanDerWaalsContact O-CD 3.31Å; D973-R977 WeakPolarHBondContact O-CD 3.34Å; D973-R977 WeakPolarHBondContact O-CG 3.46Å; D973-R977 PolarHBondContact O-N 3.41Å; D973-R977 VanDerWaalsContact O-N 3.11Å
974V97.8Very high96.2Very high66 Ų6676 Ų7640%0.440%0.397SS..Hα-helixtrans-67.7-46.9173.9173.80000111L970 E971 H972 S976 R977 L978L970-V974 WeakPolarHBondContact O-CG2 3.43Å; L970-V974 PolarHBondContact O-N 2.98Å; E971-V974 PolarHBondContact O-N 3.24Å; H972-V974 VanDerWaalsContact C-N 3.3Å; H972-V974 PolarHBondContact O-N 3.4Å; V974-S976 VanDerWaalsContact C-N 3.33Å; V974-S976 PolarHBondContact O-N 3.26Å; V974-R977 PolarHBondContact O-N 2.95Å; V974-L978 HydrophobicContact CG1-CD1 4.04Å; V974-L978 WeakPolarHBondContact O-CG 2.98Å; V974-L978 PolarHBondContact O-N 3.48Å
975Y97.9Very high95.5Very high47 Ų4776.8 Ų76.818%0.18440%0.4CS..Hα-helixtrans-57.4-44.8175.1178-86.1000112E971 H972 L978 S979 M1008 C1011 K1012E971-Y975 WeakPolarHBondContact O-CB 3.18Å; E971-Y975 PolarHBondContact O-N 2.83Å; H972-Y975 PolarHBondContact O-N 2.88Å; Y975-L978 PolarHBondContact O-N 2.87Å; Y975-S979 PolarHBondContact O-N 3.12Å; Y975-M1008 HydrophobicContact CD2-CB 4.06Å; Y975-M1008 HydrophobicContact CD2-CG 4.26Å; Y975-M1008 HydrophobicContact CE1-CE 4.34Å; Y975-M1008 HydrophobicContact CE2-CB 3.77Å; Y975-M1008 HydrophobicContact CE2-CE 3.87Å; Y975-M1008 HydrophobicContact CE2-CG 4.14Å; Y975-C1011 HydrophobicContact CD2-CB 4.17Å; Y975-K1012 HydrophobicContact CD2-CG 4.11Å; Y975-K1012 HydrophobicContact CE2-CD 3.89Å; Y975-K1012 HydrophobicContact CE2-CG 3.8Å; Y975-K1012 VanDerWaalsContact OH-CE 3.23Å; Y975-K1012 WeakPolarHBondContact OH-CE 3.43Å; Y975-K1012 PolarHBondContact OH-NZ 3.42Å
976S98Very high94.4Very high58 Ų5874.9 Ų74.941%0.40640%0.4SS..Hα-helixtrans-60.4-47.7178.3179.40000111.6H972 V974 L978 S979 T980H972-S976 VanDerWaalsContact O-CB 3.3Å; H972-S976 WeakPolarHBondContact O-CB 3.34Å; H972-S976 PolarHBondContact O-N 3.35Å; V974-S976 VanDerWaalsContact C-N 3.33Å; V974-S976 PolarHBondContact O-N 3.26Å; S976-L978 VanDerWaalsContact C-N 3.3Å; S976-L978 PolarHBondContact O-N 3.41Å; S976-S979 WeakPolarHBondContact O-CB 3.37Å; S976-S979 PolarHBondContact O-N 3.04Å; S976-S979 VanDerWaalsContact O-N 3.12Å; S976-T980 PolarHBondContact O-N 3.27Å; S976-T980 PolarHBondContact O-OG1 3.42Å
977R97.3Very high92.7Very high188 Ų18873.1 Ų73.171%0.70940%0.398SS*.Hα-helixtrans-60.1-37.3174.7-70.4162.8-175.1-103.20.2112.8D973 V974 L981D973-R977 VanDerWaalsContact O-CD 3.31Å; D973-R977 WeakPolarHBondContact O-CD 3.34Å; D973-R977 WeakPolarHBondContact O-CG 3.46Å; D973-R977 PolarHBondContact O-N 3.41Å; D973-R977 VanDerWaalsContact O-N 3.11Å; V974-R977 PolarHBondContact O-N 2.95Å; R977-L981 WeakPolarHBondContact O-CB 3.42Å; R977-L981 PolarHBondContact O-N 2.95Å
978L96.8Very high90.9Very high23 Ų2379.1 Ų79.112%0.1242%0.421CS..Hα-helixtrans-68.9-37.5175.3-71.6167.1000112.1V974 Y975 S976 L981 Q982 I1004 N1007 M1008V974-L978 HydrophobicContact CG1-CD1 4.04Å; V974-L978 WeakPolarHBondContact O-CG 2.98Å; V974-L978 PolarHBondContact O-N 3.48Å; Y975-L978 PolarHBondContact O-N 2.87Å; S976-L978 VanDerWaalsContact C-N 3.3Å; S976-L978 PolarHBondContact O-N 3.41Å; L978-L981 PolarHBondContact O-N 3.42Å; L978-Q982 WeakPolarHBondContact O-CB 3.48Å; L978-Q982 PolarHBondContact O-N 3.01Å; L978-I1004 HydrophobicContact CB-CG2 4.39Å; L978-I1004 HydrophobicContact CD2-CG2 4.4Å; L978-N1007 HydrophobicContact CD1-CB 3.71Å; L978-N1007 HydrophobicContact CD2-CB 4.19Å; L978-M1008 HydrophobicContact CB-CG 3.5Å; L978-M1008 VanDerWaalsContact CB-CG 3.5Å; L978-M1008 HydrophobicContact CB-SD 4.09Å; L978-M1008 HydrophobicContact CD1-CG 4.12Å; L978-M1008 HydrophobicContact CG-CG 4.42Å
979S96.1Very high89Confident28 Ų2887 Ų8720%0.19645%0.453CS..Hα-helixtrans-60.7-51.8172.7-160.50000111Y975 S976 L981 Q982 E983Y975-S979 PolarHBondContact O-N 3.12Å; S976-S979 WeakPolarHBondContact O-CB 3.37Å; S976-S979 PolarHBondContact O-N 3.04Å; S976-S979 VanDerWaalsContact O-N 3.12Å; S979-L981 VanDerWaalsContact C-N 3.26Å; S979-L981 PolarHBondContact O-N 2.98Å; S979-Q982 WeakPolarHBondContact O-CA 3.4Å; S979-Q982 WeakPolarHBondContact O-CB 3.49Å; S979-Q982 PolarHBondContact O-N 2.83Å; S979-E983 VanDerWaalsContact C-OE1 3.23Å; S979-E983 WeakPolarHBondContact CB-OE1 3.42Å; S979-E983 WeakPolarHBondContact O-CB 3.32Å; S979-E983 VanDerWaalsContact O-CG 3.28Å; S979-E983 WeakPolarHBondContact O-CG 3.34Å; S979-E983 PolarHBondContact O-N 3.49Å; S979-E983 PolarHBondContact OG-OE1 3.1Å
980T96.1Very high86.9Confident90 Ų9095.9 Ų95.955%0.55248%0.479SS*.Hα-helixtrans-60.7-35.7177.5-50.10000112.4S976 G984S976-T980 PolarHBondContact O-N 3.27Å; S976-T980 PolarHBondContact O-OG1 3.42Å; T980-G984 PolarHBondContact O-N 3.31Å
981L93.6Very high85.2Confident90 Ų9095.3 Ų95.347%0.47149%0.489SS..Hα-helixtrans-67.4-40.6173.5-177.263.1000111.8R977 L978 S979 G984 L985 I1004R977-L981 WeakPolarHBondContact O-CB 3.42Å; R977-L981 PolarHBondContact O-N 2.95Å; L978-L981 PolarHBondContact O-N 3.42Å; S979-L981 VanDerWaalsContact C-N 3.26Å; S979-L981 PolarHBondContact O-N 2.98Å; L981-G984 PolarHBondContact O-N 2.87Å; L981-L985 HydrophobicContact CD1-CD1 3.94Å; L981-L985 HydrophobicContact CD1-CG 4.37Å; L981-L985 HydrophobicContact CG-CD1 3.93Å; L981-L985 WeakPolarHBondContact O-CB 3.41Å; L981-L985 WeakPolarHBondContact O-CD1 3.27Å; L981-L985 VanDerWaalsContact O-CG 3.23Å; L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.47Å; L981-I1004 HydrophobicContact CD2-CD1 3.8Å; L981-I1004 HydrophobicContact CD2-CG1 4.21Å; L981-I1004 HydrophobicContact CG-CD1 3.82Å
982Q92.6Very high83.5Confident43 Ų4397 Ų9720%0.20152%0.518CS..Hα-helixtrans-62.2-51175.1-161.8-177.621.500110.9L978 S979 G984 L985 I986 N1001 I1004 M1008L978-Q982 WeakPolarHBondContact O-CB 3.48Å; L978-Q982 PolarHBondContact O-N 3.01Å; S979-Q982 WeakPolarHBondContact O-CA 3.4Å; S979-Q982 WeakPolarHBondContact O-CB 3.49Å; S979-Q982 PolarHBondContact O-N 2.83Å; Q982-G984 VanDerWaalsContact C-N 3.26Å; Q982-G984 PolarHBondContact O-N 3.08Å; Q982-L985 PolarHBondContact O-N 2.94Å; Q982-I986 PolarHBondContact O-N 3.12Å; Q982-N1001 WeakPolarHBondContact CG-OD1 3.34Å; Q982-N1001 PolarHBondContact NE2-OD1 2.91Å; Q982-I1004 HydrophobicContact CB-CG2 3.87Å; Q982-I1004 HydrophobicContact CG-CG2 4.22Å; Q982-M1008 HydrophobicContact CB-SD 4.39Å
983E90.7Very high81.7Confident118 Ų11897.3 Ų97.355%0.55153%0.531SS*.Hα-helixtrans-58-37.1178.8-68.9157.9-132.700112.3S979 L985S979-E983 VanDerWaalsContact C-OE1 3.23Å; S979-E983 WeakPolarHBondContact CB-OE1 3.42Å; S979-E983 WeakPolarHBondContact O-CB 3.32Å; S979-E983 VanDerWaalsContact O-CG 3.28Å; S979-E983 WeakPolarHBondContact O-CG 3.34Å; S979-E983 PolarHBondContact O-N 3.49Å; S979-E983 PolarHBondContact OG-OE1 3.1Å; E983-L985 VanDerWaalsContact C-N 3.34Å
984G86.1Confident80.6Confident66 Ų6697 Ų9768%0.6853%0.529SS*.Hα-helixtrans-74.8-17175.300000115.2T980 L981 Q982T980-G984 PolarHBondContact O-N 3.31Å; L981-G984 PolarHBondContact O-N 2.87Å; Q982-G984 VanDerWaalsContact C-N 3.26Å; Q982-G984 PolarHBondContact O-N 3.08Å
985L82.9Confident80.1Confident54 Ų54100.3 Ų100.328%0.28355%0.545SS..Hα-helixtrans-101.5-7.7-178.8-72.6171.5000113.9L981 Q982 E983 P987 L997 I1000 I1004L981-L985 HydrophobicContact CD1-CD1 3.94Å; L981-L985 HydrophobicContact CD1-CG 4.37Å; L981-L985 HydrophobicContact CG-CD1 3.93Å; L981-L985 WeakPolarHBondContact O-CB 3.41Å; L981-L985 WeakPolarHBondContact O-CD1 3.27Å; L981-L985 VanDerWaalsContact O-CG 3.23Å; L981-L985 WeakPolarHBondContact O-CG 3.31Å; L981-L985 PolarHBondContact O-N 3.47Å; Q982-L985 PolarHBondContact O-N 2.94Å; E983-L985 VanDerWaalsContact C-N 3.34Å; L985-P987 VanDerWaalsContact O-CD 3.28Å; L985-P987 WeakPolarHBondContact O-CD 3.22Å; L985-L997 HydrophobicContact CB-CD1 4.08Å; L985-L997 HydrophobicContact CD2-CD1 3.82Å; L985-L997 HydrophobicContact CG-CD1 4.45Å; L985-I1000 HydrophobicContact CD1-CG2 3.76Å; L985-I1004 HydrophobicContact CD1-CD1 3.46Å; L985-I1004 VanDerWaalsContact CD1-CD1 3.46Å
986I73.6Confident79.6Confident107 Ų107103.3 Ų103.355%0.54956%0.564SS.*SBendtrans-63.8115172.3-65.8167.1000108.9Q982 K988Q982-I986 PolarHBondContact O-N 3.12Å; I986-K988 PolarHBondContact O-N 3.16Å
987P63.6Low79.1Confident73 Ų73102.8 Ų102.847%0.47456%0.556SS.*  trans-72.3101.8-168.426.5-33.4000112L985 K989 L997L985-P987 VanDerWaalsContact O-CD 3.28Å; L985-P987 WeakPolarHBondContact O-CD 3.22Å; P987-K989 PolarHBondContact O-N 2.99Å; P987-K989 VanDerWaalsContact O-N 3.13Å; P987-L997 HydrophobicContact CB-CD2 3.83Å; P987-L997 HydrophobicContact CG-CD2 3.94Å
988K60.5Low78.7Confident207 Ų20798.8 Ų98.890%0.955%0.546SS*.SBendtrans-63.6-17.4-176.3-93.3-177.4175.6174.20115.7I986I986-K988 PolarHBondContact O-N 3.16Å
989K56.2Low78.5Confident188 Ų188105.4 Ų105.482%0.81757%0.569SS**SBendtrans-152.6137.7167.8-78-162.5176179.80113.4P987P987-K989 PolarHBondContact O-N 2.99Å; P987-K989 VanDerWaalsContact O-N 3.13Å
990R54.4Low78.3Confident236 Ų236107.8 Ų107.889%0.89158%0.579SS**  trans49.694.9154.3-72.8-70.1-162.9-165.13118.4
991A62.1Low78.1Confident92 Ų92105.5 Ų105.576%0.7656%0.563SS**  22.3126.1124.300000119.4
992G61.3Low78.2Confident79 Ų79105.8 Ų105.881%0.81456%0.562SS**SBendtrans173.3-33.5164.800000114.2
993S59.8Low78.3Confident104 Ų104108.4 Ų108.473%0.72758%0.577SS**SBendtrans-150.654.6-177.361.30000110.6
994D76Confident78.6Confident80 Ų80103.2 Ų103.243%0.42855%0.553SS.*Hα-helixtrans-83-19.3-166.2-154.528.4000113.2D996 L997 H998D994-D996 PolarHBondContact O-N 3.42Å; D994-L997 PolarHBondContact O-N 3.49Å; D994-L997 VanDerWaalsContact O-N 3.12Å; D994-H998 VanDerWaalsContact O-CB 3.29Å; D994-H998 WeakPolarHBondContact O-CB 3.43Å; D994-H998 PolarHBondContact O-N 3.17Å
995D85.8Confident79.1Confident136 Ų136103.7 Ų103.773%0.72754%0.537SS*.Hα-helixtrans-60.5-43.6-173.1-59.4-69.4000113.7R999D995-R999 WeakPolarHBondContact O-CB 3.45Å; D995-R999 PolarHBondContact O-N 3Å
996D88.3Confident79.8Confident110 Ų110102.4 Ų102.459%0.58854%0.538SS*.Hα-helixtrans-70.7-35175.8-89.5-42000112D994 R999 I1000D994-D996 PolarHBondContact O-N 3.42Å; D996-R999 PolarHBondContact O-N 2.98Å; D996-I1000 WeakPolarHBondContact O-CB 3.32Å; D996-I1000 WeakPolarHBondContact O-CD1 3.35Å; D996-I1000 WeakPolarHBondContact O-CG1 3.23Å; D996-I1000 PolarHBondContact O-N 3.26Å
997L87.4Confident81Confident46 Ų4699.7 Ų99.724%0.24152%0.524CS..Hα-helixtrans-68.7-43.9177.6-176.260.6000111.1L985 P987 D994 I1000 N1001L985-L997 HydrophobicContact CB-CD1 4.08Å; L985-L997 HydrophobicContact CD2-CD1 3.82Å; L985-L997 HydrophobicContact CG-CD1 4.45Å; P987-L997 HydrophobicContact CB-CD2 3.83Å; P987-L997 HydrophobicContact CG-CD2 3.94Å; D994-L997 PolarHBondContact O-N 3.49Å; D994-L997 VanDerWaalsContact O-N 3.12Å; L997-I1000 PolarHBondContact O-N 3.43Å; L997-N1001 WeakPolarHBondContact O-CB 3.45Å; L997-N1001 PolarHBondContact O-N 3.38Å
998H88.9Confident82.6Confident105 Ų10596.8 Ų96.849%0.48650%0.504SS..Hα-helixtrans-60.1-47171.5178.758.7000110.9D994 I1000 N1001 E1002D994-H998 VanDerWaalsContact O-CB 3.29Å; D994-H998 WeakPolarHBondContact O-CB 3.43Å; D994-H998 PolarHBondContact O-N 3.17Å; H998-I1000 VanDerWaalsContact C-N 3.32Å; H998-I1000 PolarHBondContact O-N 3.26Å; H998-N1001 CarbonylContact O-C 3.06Å; H998-N1001 WeakPolarHBondContact O-CA 3.47Å; H998-N1001 WeakPolarHBondContact O-CB 3.46Å; H998-N1001 PolarHBondContact O-N 2.7Å; H998-E1002 IonicContact CE1-OE1 3.77Å; H998-E1002 WeakPolarHBondContact O-CG 3.45Å; H998-E1002 PolarHBondContact O-N 3.15Å
999R92.4Very high84.4Confident161 Ų16193.8 Ų93.861%0.60849%0.494SS*.Hα-helixtrans-61.9-35.5176.2-176.3170.1177.2-100.5-4.4113.1D995 D996 L1003D995-R999 WeakPolarHBondContact O-CB 3.45Å; D995-R999 PolarHBondContact O-N 3Å; D996-R999 PolarHBondContact O-N 2.98Å; R999-L1003 VanDerWaalsContact O-CG 3.31Å; R999-L1003 WeakPolarHBondContact O-CG 3.47Å; R999-L1003 PolarHBondContact O-N 3.16Å; R999-L1003 VanDerWaalsContact O-N 3.17Å
1000I92Very high86.4Confident78 Ų7892.4 Ų92.440%0.448%0.483SS..Hα-helixtrans-67.8-42171.7-70.9162.9000110.7L985 D996 L997 H998 L1003 I1004L985-I1000 HydrophobicContact CD1-CG2 3.76Å; D996-I1000 WeakPolarHBondContact O-CB 3.32Å; D996-I1000 WeakPolarHBondContact O-CD1 3.35Å; D996-I1000 WeakPolarHBondContact O-CG1 3.23Å; D996-I1000 PolarHBondContact O-N 3.26Å; L997-I1000 PolarHBondContact O-N 3.43Å; H998-I1000 VanDerWaalsContact C-N 3.32Å; H998-I1000 PolarHBondContact O-N 3.26Å; I1000-L1003 PolarHBondContact O-N 3.36Å; I1000-I1004 HydrophobicContact CG2-CD1 3.76Å; I1000-I1004 HydrophobicContact CG2-CG1 4.48Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.18Å; I1000-I1004 PolarHBondContact O-N 2.89Å
1001N92.4Very high88.5Confident43 Ų4381.5 Ų81.523%0.2344%0.443CS..Hα-helixtrans-62.2-42.8176-173.914.3000112.1Q982 L997 H998 L1003 I1004 Q1005Q982-N1001 WeakPolarHBondContact CG-OD1 3.34Å; Q982-N1001 PolarHBondContact NE2-OD1 2.91Å; L997-N1001 WeakPolarHBondContact O-CB 3.45Å; L997-N1001 PolarHBondContact O-N 3.38Å; H998-N1001 CarbonylContact O-C 3.06Å; H998-N1001 WeakPolarHBondContact O-CA 3.47Å; H998-N1001 WeakPolarHBondContact O-CB 3.46Å; H998-N1001 PolarHBondContact O-N 2.7Å; N1001-L1003 PolarHBondContact O-N 2.87Å; N1001-I1004 PolarHBondContact O-N 3.29Å; N1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; N1001-Q1005 PolarHBondContact O-N 3.03Å; N1001-Q1005 PolarHBondContact O-NE2 3.11Å; N1001-Q1005 PolarHBondContact OD1-NE2 3.47Å
1002E94.4Very high90.1Very high95 Ų9582 Ų8244%0.44443%0.428SS..Hα-helixtrans-60.6-41.8173.7-70.3-57.8110.800112.2H998 I1004 Q1005 G1006H998-E1002 IonicContact CE1-OE1 3.77Å; H998-E1002 WeakPolarHBondContact O-CG 3.45Å; H998-E1002 PolarHBondContact O-N 3.15Å; E1002-I1004 VanDerWaalsContact C-N 3.35Å; E1002-I1004 PolarHBondContact O-N 3.28Å; E1002-Q1005 PolarHBondContact O-N 3.48Å; E1002-Q1005 PolarHBondContact OE1-NE2 3.1Å; E1002-G1006 PolarHBondContact O-N 3.46Å
1003L96.4Very high91.9Very high99 Ų9982.7 Ų82.752%0.51841%0.413SS..Hα-helixtrans-64.6-37.7174.1-71.5169.8000112.2R999 I1000 N1001 N1007R999-L1003 VanDerWaalsContact O-CG 3.31Å; R999-L1003 WeakPolarHBondContact O-CG 3.47Å; R999-L1003 PolarHBondContact O-N 3.16Å; R999-L1003 VanDerWaalsContact O-N 3.17Å; I1000-L1003 PolarHBondContact O-N 3.36Å; N1001-L1003 PolarHBondContact O-N 2.87Å; L1003-N1007 WeakPolarHBondContact O-CB 3.34Å; L1003-N1007 PolarHBondContact O-N 3.49Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å; L1003-N1007 VanDerWaalsContact O-ND2 3.13Å; L1003-N1007 PolarHBondContact O-OD1 3.16Å
1004I96.2Very high93.7Very high8 Ų880.2 Ų80.24%0.04139%0.393CS..Hα-helixtrans-67.7-45175.8-69.9163.3000110.9L978 L981 Q982 L985 I1000 N1001 E1002 G1006 N1007 M1008L978-I1004 HydrophobicContact CB-CG2 4.39Å; L978-I1004 HydrophobicContact CD2-CG2 4.4Å; L981-I1004 HydrophobicContact CD2-CD1 3.8Å; L981-I1004 HydrophobicContact CD2-CG1 4.21Å; L981-I1004 HydrophobicContact CG-CD1 3.82Å; Q982-I1004 HydrophobicContact CB-CG2 3.87Å; Q982-I1004 HydrophobicContact CG-CG2 4.22Å; L985-I1004 HydrophobicContact CD1-CD1 3.46Å; L985-I1004 VanDerWaalsContact CD1-CD1 3.46Å; I1000-I1004 HydrophobicContact CG2-CD1 3.76Å; I1000-I1004 HydrophobicContact CG2-CG1 4.48Å; I1000-I1004 VanDerWaalsContact O-CG1 3.31Å; I1000-I1004 WeakPolarHBondContact O-CG1 3.18Å; I1000-I1004 PolarHBondContact O-N 2.89Å; N1001-I1004 PolarHBondContact O-N 3.29Å; E1002-I1004 VanDerWaalsContact C-N 3.35Å; E1002-I1004 PolarHBondContact O-N 3.28Å; I1004-G1006 PolarHBondContact O-N 3.05Å; I1004-N1007 WeakPolarHBondContact O-CB 3.28Å; I1004-N1007 PolarHBondContact O-N 2.95Å; I1004-N1007 VanDerWaalsContact O-N 3.14Å; I1004-M1008 HydrophobicContact CG2-CG 4.35Å; I1004-M1008 HydrophobicContact CG2-SD 3.74Å; I1004-M1008 WeakPolarHBondContact O-CB 3.44Å; I1004-M1008 WeakPolarHBondContact O-CG 3.39Å; I1004-M1008 PolarHBondContact O-N 3.45Å
1005Q96.4Very high94.7Very high76 Ų7677.9 Ų77.936%0.35538%0.38SS..Hα-helixtrans-58.8-47.2174.5-73.5173.785.400111.7N1001 E1002 N1007 M1008 Q1009N1001-Q1005 WeakPolarHBondContact O-CG 3.44Å; N1001-Q1005 PolarHBondContact O-N 3.03Å; N1001-Q1005 PolarHBondContact O-NE2 3.11Å; N1001-Q1005 PolarHBondContact OD1-NE2 3.47Å; E1002-Q1005 PolarHBondContact O-N 3.48Å; E1002-Q1005 PolarHBondContact OE1-NE2 3.1Å; Q1005-N1007 VanDerWaalsContact C-N 3.29Å; Q1005-N1007 PolarHBondContact O-N 2.9Å; Q1005-M1008 PolarHBondContact O-N 3.06Å; Q1005-Q1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Q1009 PolarHBondContact O-N 3.07Å
1006G97.6Very high95.3Very high28 Ų2876.4 Ų76.429%0.28937%0.372SS..Hα-helixtrans-61.3-35174.900000113E1002 I1004 R1010E1002-G1006 PolarHBondContact O-N 3.46Å; I1004-G1006 PolarHBondContact O-N 3.05Å; G1006-R1010 WeakPolarHBondContact O-CG 3.36Å; G1006-R1010 PolarHBondContact O-N 2.8Å; G1006-R1010 VanDerWaalsContact O-N 3.16Å
1007N98Very high95.8Very high50 Ų5076.3 Ų76.327%0.26737%0.368SS..Hα-helixtrans-67.9-47.6172.2-66.5-22.3000111.5L978 L1003 I1004 Q1005 Q1009 R1010 C1011L978-N1007 HydrophobicContact CD1-CB 3.71Å; L978-N1007 HydrophobicContact CD2-CB 4.19Å; L1003-N1007 WeakPolarHBondContact O-CB 3.34Å; L1003-N1007 PolarHBondContact O-N 3.49Å; L1003-N1007 PolarHBondContact O-ND2 3.47Å; L1003-N1007 VanDerWaalsContact O-ND2 3.13Å; L1003-N1007 PolarHBondContact O-OD1 3.16Å; I1004-N1007 WeakPolarHBondContact O-CB 3.28Å; I1004-N1007 PolarHBondContact O-N 2.95Å; I1004-N1007 VanDerWaalsContact O-N 3.14Å; Q1005-N1007 VanDerWaalsContact C-N 3.29Å; Q1005-N1007 PolarHBondContact O-N 2.9Å; N1007-Q1009 VanDerWaalsContact C-N 3.3Å; N1007-Q1009 PolarHBondContact O-N 3.06Å; N1007-R1010 PolarHBondContact O-N 3.22Å; N1007-R1010 VanDerWaalsContact O-N 3.1Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å; N1007-C1011 PolarHBondContact O-N 2.73Å; N1007-C1011 PolarHBondContact O-SG 3.13Å
1008M97.8Very high96.3Very high12 Ų1275.1 Ų75.16%0.05936%0.362CS..Hα-helixtrans-61-36.2178.3-73171.87600112.5Y975 L978 Q982 I1004 Q1005 K1012Y975-M1008 HydrophobicContact CD2-CB 4.06Å; Y975-M1008 HydrophobicContact CD2-CG 4.26Å; Y975-M1008 HydrophobicContact CE1-CE 4.34Å; Y975-M1008 HydrophobicContact CE2-CB 3.77Å; Y975-M1008 HydrophobicContact CE2-CE 3.87Å; Y975-M1008 HydrophobicContact CE2-CG 4.14Å; L978-M1008 HydrophobicContact CB-CG 3.5Å; L978-M1008 VanDerWaalsContact CB-CG 3.5Å; L978-M1008 HydrophobicContact CB-SD 4.09Å; L978-M1008 HydrophobicContact CD1-CG 4.12Å; L978-M1008 HydrophobicContact CG-CG 4.42Å; Q982-M1008 HydrophobicContact CB-SD 4.39Å; I1004-M1008 HydrophobicContact CG2-CG 4.35Å; I1004-M1008 HydrophobicContact CG2-SD 3.74Å; I1004-M1008 WeakPolarHBondContact O-CB 3.44Å; I1004-M1008 WeakPolarHBondContact O-CG 3.39Å; I1004-M1008 PolarHBondContact O-N 3.45Å; Q1005-M1008 PolarHBondContact O-N 3.06Å; M1008-K1012 PolarHBondContact O-N 3.28Å
1009Q98.2Very high96.7Very high144 Ų14472.6 Ų72.667%0.67336%0.355SS*.Hα-helixtrans-66.8-41.4173.3-167.8-177.729.700111.7Q1005 N1007 K1012 L1013Q1005-Q1009 WeakPolarHBondContact O-CB 3.48Å; Q1005-Q1009 PolarHBondContact O-N 3.07Å; N1007-Q1009 VanDerWaalsContact C-N 3.3Å; N1007-Q1009 PolarHBondContact O-N 3.06Å; Q1009-K1012 PolarHBondContact O-N 2.88Å; Q1009-L1013 PolarHBondContact O-N 3.24Å
1010R98.1Very high97Very high158 Ų15871.3 Ų71.360%0.59636%0.356SS*.Hα-helixtrans-64.9-42.1174.1-71-172.7-57.9131.1-6.9112G1006 N1007 K1012 L1013 V1014G1006-R1010 WeakPolarHBondContact O-CG 3.36Å; G1006-R1010 PolarHBondContact O-N 2.8Å; G1006-R1010 VanDerWaalsContact O-N 3.16Å; N1007-R1010 PolarHBondContact O-N 3.22Å; N1007-R1010 VanDerWaalsContact O-N 3.1Å; N1007-R1010 PolarHBondContact OD1-NH2 3.3Å; R1010-K1012 PolarHBondContact O-N 3.33Å; R1010-L1013 PolarHBondContact O-N 3Å; R1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; R1010-V1014 PolarHBondContact O-N 3.41Å
1011C98Very high97.2Very high7 Ų769.8 Ų69.85%0.04735%0.354CS..Hα-helixtrans-62.1-41.6176.6-64.20000112.2E971 Y975 N1007 V1014 M1015E971-C1011 HydrophobicContact CG-CB 4.1Å; E971-C1011 WeakPolarHBondContact CG-O 3.36Å; E971-C1011 WeakPolarHBondContact OE1-CA 3.49Å; E971-C1011 PolarHBondContact OE1-SG 2.92Å; Y975-C1011 HydrophobicContact CD2-CB 4.17Å; N1007-C1011 PolarHBondContact O-N 2.73Å; N1007-C1011 PolarHBondContact O-SG 3.13Å; C1011-V1014 PolarHBondContact O-N 2.92Å; C1011-M1015 VanDerWaalsContact O-CB 3.28Å; C1011-M1015 WeakPolarHBondContact O-CB 3.38Å; C1011-M1015 PolarHBondContact O-N 3.37Å
1012K97.7Very high97.5Very high103 Ų10371.6 Ų71.645%0.44836%0.358SS..Hα-helixtrans-57-55.1170.9-80.3169.4170.3158.70111.5Y975 M1008 Q1009 R1010 V1014 M1015 D1016Y975-K1012 HydrophobicContact CD2-CG 4.11Å; Y975-K1012 HydrophobicContact CE2-CD 3.89Å; Y975-K1012 HydrophobicContact CE2-CG 3.8Å; Y975-K1012 VanDerWaalsContact OH-CE 3.23Å; Y975-K1012 WeakPolarHBondContact OH-CE 3.43Å; Y975-K1012 PolarHBondContact OH-NZ 3.42Å; M1008-K1012 PolarHBondContact O-N 3.28Å; Q1009-K1012 PolarHBondContact O-N 2.88Å; R1010-K1012 PolarHBondContact O-N 3.33Å; K1012-V1014 VanDerWaalsContact C-N 3.31Å; K1012-V1014 PolarHBondContact O-N 3.05Å; K1012-M1015 WeakPolarHBondContact O-CB 3.31Å; K1012-M1015 PolarHBondContact O-N 2.86Å; K1012-D1016 PolarHBondContact O-N 2.92Å
1013L98Very high97.6Very high94 Ų9470.1 Ų70.149%0.49235%0.353SS..Hα-helixtrans-58.3-39.8-179-178.264.1000112.8Q1009 R1010 Q1017Q1009-L1013 PolarHBondContact O-N 3.24Å; R1010-L1013 PolarHBondContact O-N 3Å; L1013-Q1017 HydrophobicContact CD1-CG 4.39Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.43Å; L1013-Q1017 VanDerWaalsContact O-CG 3.23Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.36Å; L1013-Q1017 PolarHBondContact O-N 3.48Å
1014V98.1Very high97.6Very high52 Ų5268.3 Ų68.332%0.31535%0.346SS..Hα-helixtrans-67.3-42.8175.3170.50000111.1E971 R1010 C1011 K1012 D1016 Q1017 V1018E971-V1014 HydrophobicContact CG-CB 4.08Å; E971-V1014 HydrophobicContact CG-CG1 3.87Å; R1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; R1010-V1014 PolarHBondContact O-N 3.41Å; C1011-V1014 PolarHBondContact O-N 2.92Å; K1012-V1014 VanDerWaalsContact C-N 3.31Å; K1012-V1014 PolarHBondContact O-N 3.05Å; V1014-D1016 VanDerWaalsContact C-N 3.35Å; V1014-D1016 PolarHBondContact O-N 3.17Å; V1014-Q1017 PolarHBondContact O-N 3.27Å; V1014-V1018 HydrophobicContact CG1-CG2 4.21Å; V1014-V1018 VanDerWaalsContact O-CB 3.31Å; V1014-V1018 WeakPolarHBondContact O-CB 3.41Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.18Å; V1014-V1018 PolarHBondContact O-N 3.46Å
1015M97.6Very high97.7Very high30 Ų3070 Ų7015%0.14835%0.354CS..Hα-helixtrans-62.6-41.3178.1-162.9-176.1-44.600111.8H972 C1011 K1012 T1019H972-M1015 HydrophobicContact CB-CE 3.74Å; H972-M1015 HydrophobicContact CB-SD 4.1Å; C1011-M1015 VanDerWaalsContact O-CB 3.28Å; C1011-M1015 WeakPolarHBondContact O-CB 3.38Å; C1011-M1015 PolarHBondContact O-N 3.37Å; K1012-M1015 WeakPolarHBondContact O-CB 3.31Å; K1012-M1015 PolarHBondContact O-N 2.86Å; M1015-T1019 WeakPolarHBondContact O-CB 3.37Å; M1015-T1019 PolarHBondContact O-N 3.49Å; M1015-T1019 VanDerWaalsContact O-N 3.08Å; M1015-T1019 PolarHBondContact O-OG1 2.96Å
1016D98Very high97.7Very high106 Ų10668.9 Ų68.957%0.56735%0.35SS*.Hα-helixtrans-65.1-50.5175.1-66-30.1000111.1K1012 V1014 V1018 T1019 E1020K1012-D1016 PolarHBondContact O-N 2.92Å; V1014-D1016 VanDerWaalsContact C-N 3.35Å; V1014-D1016 PolarHBondContact O-N 3.17Å; D1016-V1018 PolarHBondContact O-N 3.42Å; D1016-T1019 CarbonylContact O-C 3.59Å; D1016-T1019 WeakPolarHBondContact O-CB 3.44Å; D1016-T1019 PolarHBondContact O-N 3.19Å; D1016-T1019 VanDerWaalsContact O-N 3.1Å; D1016-E1020 PolarHBondContact O-N 3.33Å
1017Q98.1Very high97.7Very high108 Ų10873.6 Ų73.651%0.50536%0.362SS..Hα-helixtrans-62.4-39.1178.9-74.9176.65.500113L1013 V1014 T1019 E1020 A1021L1013-Q1017 HydrophobicContact CD1-CG 4.39Å; L1013-Q1017 WeakPolarHBondContact O-CB 3.43Å; L1013-Q1017 VanDerWaalsContact O-CG 3.23Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.36Å; L1013-Q1017 PolarHBondContact O-N 3.48Å; V1014-Q1017 PolarHBondContact O-N 3.27Å; Q1017-T1019 VanDerWaalsContact C-N 3.29Å; Q1017-T1019 PolarHBondContact O-N 2.92Å; Q1017-E1020 PolarHBondContact O-N 2.86Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.49Å; Q1017-A1021 PolarHBondContact O-N 2.83Å
1018V98.3Very high97.4Very high20 Ų2074.9 Ų74.912%0.12137%0.372CS..Hα-helixtrans-66.6-34175.2168.60000111L964 L967 V1014 D1016 R1022L964-V1018 HydrophobicContact CB-CG1 4.04Å; L964-V1018 HydrophobicContact CD2-CG1 4.34Å; L964-V1018 WeakPolarHBondContact O-CG1 3.42Å; L967-V1018 HydrophobicContact CB-CG1 4.38Å; L967-V1018 HydrophobicContact CD2-CG1 4.36Å; L967-V1018 HydrophobicContact CD2-CG2 3.88Å; L967-V1018 HydrophobicContact CG-CG1 4.46Å; L967-V1018 HydrophobicContact CG-CG2 4.33Å; V1014-V1018 HydrophobicContact CG1-CG2 4.21Å; V1014-V1018 VanDerWaalsContact O-CB 3.31Å; V1014-V1018 WeakPolarHBondContact O-CB 3.41Å; V1014-V1018 WeakPolarHBondContact O-CG2 3.18Å; V1014-V1018 PolarHBondContact O-N 3.46Å; D1016-V1018 PolarHBondContact O-N 3.42Å; V1018-R1022 VanDerWaalsContact O-CB 3.27Å; V1018-R1022 WeakPolarHBondContact O-CB 3.43Å; V1018-R1022 PolarHBondContact O-N 2.85Å
1019T97.3Very high97.3Very high53 Ų5375.5 Ų75.533%0.32538%0.376SS..Hα-helixtrans-72.1-44.1175.5-56.70000111.4M1015 D1016 Q1017 R1022 D1023M1015-T1019 WeakPolarHBondContact O-CB 3.37Å; M1015-T1019 PolarHBondContact O-N 3.49Å; M1015-T1019 VanDerWaalsContact O-N 3.08Å; M1015-T1019 PolarHBondContact O-OG1 2.96Å; D1016-T1019 CarbonylContact O-C 3.59Å; D1016-T1019 WeakPolarHBondContact O-CB 3.44Å; D1016-T1019 PolarHBondContact O-N 3.19Å; D1016-T1019 VanDerWaalsContact O-N 3.1Å; Q1017-T1019 VanDerWaalsContact C-N 3.29Å; Q1017-T1019 PolarHBondContact O-N 2.92Å; T1019-R1022 WeakPolarHBondContact O-CB 3.47Å; T1019-R1022 PolarHBondContact O-N 2.74Å; T1019-D1023 WeakPolarHBondContact O-CB 3.31Å; T1019-D1023 PolarHBondContact O-N 3.4Å
1020E97.6Very high97.1Very high134 Ų13474.6 Ų74.663%0.62638%0.375SS*.Hα-helixtrans-62.6-44.3174-169.1-171177.400111.7D1016 Q1017 R1022 D1023 T1024D1016-E1020 PolarHBondContact O-N 3.33Å; Q1017-E1020 PolarHBondContact O-N 2.86Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 2.99Å; E1020-D1023 PolarHBondContact O-N 3.2Å; E1020-T1024 HydrophobicContact CG-CG2 4.15Å; E1020-T1024 WeakPolarHBondContact O-CB 3.42Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.19Å; E1020-T1024 PolarHBondContact O-N 3.42Å; E1020-T1024 PolarHBondContact O-OG1 3.21Å
1021A98Very high96.9Very high45 Ų4571.7 Ų71.737%0.37237%0.368SS..Hα-helixtrans-62.3-38176.800000112.3L964 Q1017 T1024 M1025L964-A1021 HydrophobicContact CD1-CB 4.45Å; Q1017-A1021 WeakPolarHBondContact O-CB 3.49Å; Q1017-A1021 PolarHBondContact O-N 2.83Å; A1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; A1021-T1024 PolarHBondContact O-OG1 3.37Å; A1021-M1025 WeakPolarHBondContact O-CB 3.44Å; A1021-M1025 PolarHBondContact O-N 3.14Å; A1021-M1025 VanDerWaalsContact O-N 3.14Å
1022R97.7Very high96.7Very high82 Ų8273.6 Ų73.631%0.30938%0.376SS..Hα-helixtrans-62.4-47.7172172.3-172.9173-96.29.3111.4A961 L964 V1018 T1019 E1020 M1025 M1026A961-R1022 HydrophobicContact CB-CG 4.02Å; L964-R1022 HydrophobicContact CB-CB 4.1Å; L964-R1022 HydrophobicContact CD1-CB 3.97Å; V1018-R1022 VanDerWaalsContact O-CB 3.27Å; V1018-R1022 WeakPolarHBondContact O-CB 3.43Å; V1018-R1022 PolarHBondContact O-N 2.85Å; T1019-R1022 WeakPolarHBondContact O-CB 3.47Å; T1019-R1022 PolarHBondContact O-N 2.74Å; E1020-R1022 VanDerWaalsContact C-N 3.32Å; E1020-R1022 PolarHBondContact O-N 2.99Å; R1022-M1025 PolarHBondContact O-N 2.98Å; R1022-M1026 WeakPolarHBondContact O-CB 3.23Å; R1022-M1026 WeakPolarHBondContact O-CG 3.35Å; R1022-M1026 PolarHBondContact O-N 3.33Å
1023D97.3Very high96.5Very high63 Ų6372.8 Ų72.834%0.33737%0.373SS..Hα-helixtrans-79.1-34.8-170.7-71.65000112.1T1019 E1020 M1026 K1027T1019-D1023 WeakPolarHBondContact O-CB 3.31Å; T1019-D1023 PolarHBondContact O-N 3.4Å; E1020-D1023 PolarHBondContact O-N 3.2Å; D1023-M1026 PolarHBondContact O-N 3.11Å; D1023-K1027 WeakPolarHBondContact O-CG 3.21Å; D1023-K1027 PolarHBondContact O-N 2.84Å
1024T96.4Very high96.3Very high62 Ų6275.5 Ų75.538%0.3838%0.381SS..Hα-helixtrans-63.9-41168.751.80000112.2E1020 A1021 M1026 K1027E1020-T1024 HydrophobicContact CG-CG2 4.15Å; E1020-T1024 WeakPolarHBondContact O-CB 3.42Å; E1020-T1024 WeakPolarHBondContact O-CG2 3.19Å; E1020-T1024 PolarHBondContact O-N 3.42Å; E1020-T1024 PolarHBondContact O-OG1 3.21Å; A1021-T1024 WeakPolarHBondContact CA-OG1 3.33Å; A1021-T1024 PolarHBondContact O-OG1 3.37Å; T1024-M1026 VanDerWaalsContact C-N 3.32Å; T1024-M1026 PolarHBondContact O-N 2.88Å; T1024-K1027 PolarHBondContact O-N 3.35Å
1025M96.9Very high96.1Very high42 Ų4275.2 Ų75.221%0.20738%0.379CS..Hα-helixtrans-64.1-35.8171.5175.6176.552.600112.3I957 C960 A961 L964 A1021 R1022 V1028I957-M1025 HydrophobicContact CG1-CG 4.44Å; I957-M1025 HydrophobicContact CG2-CG 3.97Å; C960-M1025 HydrophobicContact CB-CE 3.77Å; C960-M1025 HydrophobicContact CB-SD 3.73Å; C960-M1025 VanDerWaalsContact SG-SD 3.69Å; A961-M1025 HydrophobicContact CB-CE 4.08Å; L964-M1025 HydrophobicContact CD1-CE 3.55Å; L964-M1025 HydrophobicContact CG-CE 4.42Å; A1021-M1025 WeakPolarHBondContact O-CB 3.44Å; A1021-M1025 PolarHBondContact O-N 3.14Å; A1021-M1025 VanDerWaalsContact O-N 3.14Å; R1022-M1025 PolarHBondContact O-N 2.98Å; M1025-V1028 VanDerWaalsContact O-CB 3.32Å; M1025-V1028 WeakPolarHBondContact O-CB 3.38Å; M1025-V1028 WeakPolarHBondContact O-CG2 3.31Å; M1025-V1028 PolarHBondContact O-N 3Å
1026M96.8Very high95.8Very high54 Ų5475.4 Ų75.427%0.26638%0.381SS..Hα-helixtrans-69.4-35.9176.8-80.4-65.1-52.900113.2I957 A961 R1022 D1023 T1024 V1028 L1029I957-M1026 HydrophobicContact CG2-SD 4.03Å; A961-M1026 HydrophobicContact CB-CG 3.91Å; A961-M1026 HydrophobicContact CB-SD 3.76Å; R1022-M1026 WeakPolarHBondContact O-CB 3.23Å; R1022-M1026 WeakPolarHBondContact O-CG 3.35Å; R1022-M1026 PolarHBondContact O-N 3.33Å; D1023-M1026 PolarHBondContact O-N 3.11Å; T1024-M1026 VanDerWaalsContact C-N 3.32Å; T1024-M1026 PolarHBondContact O-N 2.88Å; M1026-V1028 PolarHBondContact O-N 2.89Å; M1026-L1029 HydrophobicContact CE-CD1 4.35Å; M1026-L1029 WeakPolarHBondContact O-CB 3.48Å; M1026-L1029 PolarHBondContact O-N 3.42Å
1027K96.8Very high95.6Very high126 Ų12676.4 Ų76.455%0.54838%0.38SS..Hα-helixtrans-56.8-22174.8-71.8166.6-167.9170.50113.5D1023 T1024 L1029 D1030D1023-K1027 WeakPolarHBondContact O-CG 3.21Å; D1023-K1027 PolarHBondContact O-N 2.84Å; T1024-K1027 PolarHBondContact O-N 3.35Å; K1027-L1029 PolarHBondContact O-N 2.91Å; K1027-L1029 VanDerWaalsContact O-N 3.09Å; K1027-D1030 WeakPolarHBondContact CA-OD2 3.3Å; K1027-D1030 WeakPolarHBondContact O-CB 3.29Å; K1027-D1030 VanDerWaalsContact O-CG 3.23Å; K1027-D1030 PolarHBondContact O-N 3.45Å; K1027-D1030 VanDerWaalsContact O-N 3.07Å
1028V93.4Very high95.3Very high77 Ų7775.1 Ų75.147%0.46738%0.377SS..THydrogen-bonded Turntrans-59-20.1171.2-175.50000111.9I957 M1025 M1026 H1031I957-V1028 HydrophobicContact CD1-CB 4.28Å; I957-V1028 HydrophobicContact CD1-CG1 4.03Å; M1025-V1028 VanDerWaalsContact O-CB 3.32Å; M1025-V1028 WeakPolarHBondContact O-CB 3.38Å; M1025-V1028 WeakPolarHBondContact O-CG2 3.31Å; M1025-V1028 PolarHBondContact O-N 3Å; M1026-V1028 PolarHBondContact O-N 2.89Å; V1028-H1031 PolarHBondContact O-CE1 3.36Å; V1028-H1031 PolarHBondContact O-ND1 2.91Å
1029L94.9Very high95Very high26 Ų2674.6 Ų74.614%0.13637%0.373CS..THydrogen-bonded Turntrans-93.8-6.2177.1-57.3-177.1000114.5I957 H958 M1026 K1027 H1031 K1032I957-L1029 HydrophobicContact CB-CD1 4.18Å; I957-L1029 HydrophobicContact CB-CG 4.47Å; I957-L1029 HydrophobicContact CD1-CD2 3.84Å; I957-L1029 HydrophobicContact CD1-CG 4.35Å; I957-L1029 HydrophobicContact CG2-CD1 3.72Å; I957-L1029 HydrophobicContact CG2-CG 3.96Å; H958-L1029 WeakPolarHBondContact NE2-CD1 3.49Å; M1026-L1029 HydrophobicContact CE-CD1 4.35Å; M1026-L1029 WeakPolarHBondContact O-CB 3.48Å; M1026-L1029 PolarHBondContact O-N 3.42Å; K1027-L1029 PolarHBondContact O-N 2.91Å; K1027-L1029 VanDerWaalsContact O-N 3.09Å; L1029-H1031 PolarHBondContact O-N 3.12Å; L1029-H1031 VanDerWaalsContact O-N 3.11Å; L1029-K1032 WeakPolarHBondContact O-CB 3.48Å; L1029-K1032 PolarHBondContact O-N 2.78Å
1030D94.8Very high94.7Very high125 Ų12577.2 Ų77.267%0.66839%0.385SS*.THydrogen-bonded Turntrans-60.4-29-178.3-61.8-12.2000112.7K1027K1027-D1030 WeakPolarHBondContact CA-OD2 3.3Å; K1027-D1030 WeakPolarHBondContact O-CB 3.29Å; K1027-D1030 VanDerWaalsContact O-CG 3.23Å; K1027-D1030 PolarHBondContact O-N 3.45Å; K1027-D1030 VanDerWaalsContact O-N 3.07Å
1031H93.8Very high94.4Very high96 Ų9678.8 Ų78.844%0.44439%0.39SS..THydrogen-bonded Turntrans-92.14.2177.671.2-69000113.9V1028 L1029 E1033 K1034 V1035V1028-H1031 PolarHBondContact O-CE1 3.36Å; V1028-H1031 PolarHBondContact O-ND1 2.91Å; L1029-H1031 PolarHBondContact O-N 3.12Å; L1029-H1031 VanDerWaalsContact O-N 3.11Å; H1031-E1033 VanDerWaalsContact C-N 3.32Å; H1031-E1033 PolarHBondContact O-N 3.37Å; H1031-K1034 HydrophobicContact CB-CD 4.48Å; H1031-K1034 WeakPolarHBondContact O-CA 3.44Å; H1031-K1034 WeakPolarHBondContact O-CB 3.45Å; H1031-K1034 PolarHBondContact O-N 3.07Å; H1031-V1035 WeakPolarHBondContact CD2-CG2 3.37Å; H1031-V1035 PolarHBondContact O-N 2.88Å
1032K93.7Very high93.9Very high47 Ų4779 Ų7920%0.20439%0.385CS..Hα-helixtrans-46.5-49.5178.3167.2176.1166.6-77.70113L1029 K1034 V1035 L1036L1029-K1032 WeakPolarHBondContact O-CB 3.48Å; L1029-K1032 PolarHBondContact O-N 2.78Å; K1032-K1034 VanDerWaalsContact C-N 3.31Å; K1032-K1034 PolarHBondContact O-N 3.32Å; K1032-V1035 PolarHBondContact O-N 3.39Å; K1032-L1036 VanDerWaalsContact O-CB 3.32Å; K1032-L1036 WeakPolarHBondContact O-CB 3.44Å; K1032-L1036 PolarHBondContact O-N 3.47Å
1033E93.8Very high93.2Very high86 Ų8676 Ų7640%0.40238%0.38SS..Hα-helixtrans-68.8-29.8-178.5-66.9-51.2125.600113H1031 K1037H1031-E1033 VanDerWaalsContact C-N 3.32Å; H1031-E1033 PolarHBondContact O-N 3.37Å; E1033-K1037 VanDerWaalsContact O-CB 3.28Å; E1033-K1037 WeakPolarHBondContact O-CB 3.28Å; E1033-K1037 VanDerWaalsContact O-CD 3.3Å; E1033-K1037 WeakPolarHBondContact O-CD 3.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.46Å; E1033-K1037 PolarHBondContact O-N 3.24Å
1034K93.8Very high91.6Very high152 Ų15276 Ų7666%0.66138%0.381SS*.Hα-helixtrans-70.4-44.4173.7-58.8173.2-176.9170.90109.8H1031 K1032 K1037 L1038H1031-K1034 HydrophobicContact CB-CD 4.48Å; H1031-K1034 WeakPolarHBondContact O-CA 3.44Å; H1031-K1034 WeakPolarHBondContact O-CB 3.45Å; H1031-K1034 PolarHBondContact O-N 3.07Å; K1032-K1034 VanDerWaalsContact C-N 3.31Å; K1032-K1034 PolarHBondContact O-N 3.32Å; K1034-K1037 PolarHBondContact O-N 3Å; K1034-L1038 WeakPolarHBondContact O-CG 3.48Å; K1034-L1038 PolarHBondContact O-N 3.12Å
1035V93Very high89.7Confident45 Ų4579 Ų7927%0.27340%0.4SS..Hα-helixtrans-63.2-47.1175.7173.90000111.5A952 H1031 K1032 K1037 L1038 L1039A952-V1035 HydrophobicContact CB-CG1 4.2Å; H1031-V1035 WeakPolarHBondContact CD2-CG2 3.37Å; H1031-V1035 PolarHBondContact O-N 2.88Å; K1032-V1035 PolarHBondContact O-N 3.39Å; V1035-K1037 PolarHBondContact O-N 2.86Å; V1035-L1038 WeakPolarHBondContact O-CB 3.23Å; V1035-L1038 PolarHBondContact O-N 3.19Å; V1035-L1038 VanDerWaalsContact O-N 3.14Å; V1035-L1039 HydrophobicContact CG1-CD1 3.76Å; V1035-L1039 HydrophobicContact CG1-CG 4.19Å; V1035-L1039 WeakPolarHBondContact O-CG 3.28Å; V1035-L1039 PolarHBondContact O-N 2.99Å
1036L92.2Very high87.7Confident35 Ų3585 Ų8518%0.18342%0.424CS..Hα-helixtrans-64.3-39.8179.9-174.159.5000111.5A949 K1032 L1038 L1039 N1040A949-L1036 HydrophobicContact CB-CD1 3.72Å; K1032-L1036 VanDerWaalsContact O-CB 3.32Å; K1032-L1036 WeakPolarHBondContact O-CB 3.44Å; K1032-L1036 PolarHBondContact O-N 3.47Å; L1036-L1038 VanDerWaalsContact C-N 3.35Å; L1036-L1038 PolarHBondContact O-N 3.27Å; L1036-L1039 PolarHBondContact O-N 3.3Å; L1036-N1040 WeakPolarHBondContact O-CB 3.38Å; L1036-N1040 VanDerWaalsContact O-CG 3.23Å; L1036-N1040 PolarHBondContact O-N 3.36Å; L1036-N1040 PolarHBondContact O-ND2 3.03Å
1037K92.8Very high85.4Confident127 Ų12792.3 Ų92.355%0.55246%0.455SS*.Hα-helixtrans-62.9-37.7172.1-73.7167.9-172176.80112.3E1033 K1034 V1035 K1041E1033-K1037 VanDerWaalsContact O-CB 3.28Å; E1033-K1037 WeakPolarHBondContact O-CB 3.28Å; E1033-K1037 VanDerWaalsContact O-CD 3.3Å; E1033-K1037 WeakPolarHBondContact O-CD 3.42Å; E1033-K1037 WeakPolarHBondContact O-CG 3.46Å; E1033-K1037 PolarHBondContact O-N 3.24Å; K1034-K1037 PolarHBondContact O-N 3Å; V1035-K1037 PolarHBondContact O-N 2.86Å; K1037-K1041 WeakPolarHBondContact O-CB 3.49Å; K1037-K1041 WeakPolarHBondContact O-CD 3.34Å; K1037-K1041 WeakPolarHBondContact O-CG 3.44Å; K1037-K1041 PolarHBondContact O-N 3.02Å
1038L92.7Very high83Confident81 Ų8190.5 Ų90.542%0.42446%0.458SS..Hα-helixtrans-68.7-48.1173.5-72.2169.6000112.1L939 K1034 V1035 L1036 N1040 K1041 N1042L939-L1038 HydrophobicContact CD2-CB 4.39Å; L939-L1038 HydrophobicContact CD2-CD2 4.31Å; K1034-L1038 WeakPolarHBondContact O-CG 3.48Å; K1034-L1038 PolarHBondContact O-N 3.12Å; V1035-L1038 WeakPolarHBondContact O-CB 3.23Å; V1035-L1038 PolarHBondContact O-N 3.19Å; V1035-L1038 VanDerWaalsContact O-N 3.14Å; L1036-L1038 VanDerWaalsContact C-N 3.35Å; L1036-L1038 PolarHBondContact O-N 3.27Å; L1038-N1040 VanDerWaalsContact C-N 3.27Å; L1038-N1040 PolarHBondContact O-N 3.21Å; L1038-K1041 PolarHBondContact O-N 2.65Å; L1038-N1042 WeakPolarHBondContact O-CB 3.4Å; L1038-N1042 PolarHBondContact O-N 2.85Å; L1038-N1042 PolarHBondContact O-OD1 3.48Å; L1038-N1042 VanDerWaalsContact O-OD1 3.1Å
1039L92.1Very high80.5Confident8 Ų891.8 Ų91.84%0.04247%0.471CS..Hα-helixtrans-58.8-38.1177.3-68.6170.2000112M942 A943 V948 A952 V1035 L1036 G1043M942-L1039 HydrophobicContact CG-CD2 4.28Å; A943-L1039 HydrophobicContact CB-CD2 4.18Å; A943-L1039 WeakPolarHBondContact CB-O 3.42Å; V948-L1039 HydrophobicContact CG1-CD1 4.31Å; V948-L1039 HydrophobicContact CG1-CD2 4.09Å; V948-L1039 HydrophobicContact CG2-CD1 3.93Å; V948-L1039 HydrophobicContact CG2-CD2 3.79Å; A952-L1039 HydrophobicContact CB-CD1 3.86Å; V1035-L1039 HydrophobicContact CG1-CD1 3.76Å; V1035-L1039 HydrophobicContact CG1-CG 4.19Å; V1035-L1039 WeakPolarHBondContact O-CG 3.28Å; V1035-L1039 PolarHBondContact O-N 2.99Å; L1036-L1039 PolarHBondContact O-N 3.3Å; L1039-G1043 PolarHBondContact O-N 2.99Å
1040N89.8Confident77.9Confident108 Ų108100.1 Ų100.158%0.57851%0.506SS*.Hα-helixtrans-73-38.1176.5-70.7-18.7000112.7L1036 L1038 N1042L1036-N1040 WeakPolarHBondContact O-CB 3.38Å; L1036-N1040 VanDerWaalsContact O-CG 3.23Å; L1036-N1040 PolarHBondContact O-N 3.36Å; L1036-N1040 PolarHBondContact O-ND2 3.03Å; L1038-N1040 VanDerWaalsContact C-N 3.27Å; L1038-N1040 PolarHBondContact O-N 3.21Å; N1040-N1042 VanDerWaalsContact C-N 3.33Å
1041K91Very high75.5Confident167 Ų167101.7 Ų101.773%0.72651%0.513SS*.Hα-helixtrans-65.9-34.9174-76.4171.5-179.6-1720112.8K1037 L1038K1037-K1041 WeakPolarHBondContact O-CB 3.49Å; K1037-K1041 WeakPolarHBondContact O-CD 3.34Å; K1037-K1041 WeakPolarHBondContact O-CG 3.44Å; K1037-K1041 PolarHBondContact O-N 3.02Å; L1038-K1041 PolarHBondContact O-N 2.65Å
1042N87.5Confident72.9Confident50 Ų50105.7 Ų105.727%0.26753%0.529SS..Hα-helixtrans-99.4-4.5-175.8-70.890.4000113.9L939 Q940 A943 L1038 N1040L939-N1042 HydrophobicContact CD2-CB 4.38Å; L939-N1042 VanDerWaalsContact CD2-OD1 3.27Å; L939-N1042 WeakPolarHBondContact CD2-OD1 3.47Å; L939-N1042 HydrophobicContact CG-CB 3.9Å; Q940-N1042 VanDerWaalsContact CD-O 3.25Å; Q940-N1042 PolarHBondContact NE2-O 3.33Å; Q940-N1042 PolarHBondContact OE1-O 3.27Å; A943-N1042 VanDerWaalsContact CB-C 3.44Å; A943-N1042 HydrophobicContact CB-CB 3.99Å; A943-N1042 WeakPolarHBondContact CB-O 3.2Å; L1038-N1042 WeakPolarHBondContact O-CB 3.4Å; L1038-N1042 PolarHBondContact O-N 2.85Å; L1038-N1042 PolarHBondContact O-OD1 3.48Å; L1038-N1042 VanDerWaalsContact O-OD1 3.1Å; N1040-N1042 VanDerWaalsContact C-N 3.33Å
1043G83.4Confident70.8Confident20 Ų20114.8 Ų114.821%0.20656%0.563CS.*SBendtrans-71138.2171.600000110.6L1039 V1045L1039-G1043 PolarHBondContact O-N 2.99Å; G1043-V1045 PolarHBondContact O-N 3.32Å; G1043-V1045 VanDerWaalsContact O-N 3.08Å
1044T64Low68.6Low61 Ų61120 Ų12037%0.37458%0.584SS.*  trans-64.1118.6-179.356.20000111.7N944 K1046N944-T1044 PolarHBondContact OD1-N 3.18Å; N944-T1044 VanDerWaalsContact OD1-N 3.16Å; N944-T1044 PolarHBondContact OD1-OG1 2.75Å; T1044-K1046 HydrophobicContact CG2-CD 4.22Å; T1044-K1046 PolarHBondContact O-N 3.13Å
1045V56.3Low66.2Low127 Ų127120.5 Ų120.577%0.7759%0.588SS**  trans-71.965.4168-170.70000109.8G1043G1043-V1045 PolarHBondContact O-N 3.32Å; G1043-V1045 VanDerWaalsContact O-N 3.08Å
1046K54.4Low63.9Low166 Ų166130.4 Ų130.472%0.72262%0.621SS**  trans-125.953.1-172.3-76.1-174.6177.5177.10112.5T1044T1044-K1046 HydrophobicContact CG2-CD 4.22Å; T1044-K1046 PolarHBondContact O-N 3.13Å
1047K50Low61.4Low209 Ų209136.6 Ų136.691%0.90968%0.677SS**SBendtrans-170.465.7157.4-103.4151.9-173.3-175.90113.3
1048S45.2Very low59.9Low87 Ų87137.1 Ų137.161%0.60868%0.683SS**SBendtrans-144.6-53.9162.6560000110.5K1050 L1051S1048-K1050 PolarHBondContact O-N 3.48Å; S1048-L1051 PolarHBondContact O-N 3.11Å; S1048-L1051 VanDerWaalsContact O-N 3.13Å
1049S40.7Very low58.1Low105 Ų105140 Ų14073%0.73470%0.697SS**G310 helixtrans-49.7-31177.1168.30000115.2L1051 K1052S1049-L1051 VanDerWaalsContact C-N 3.31Å; S1049-L1051 PolarHBondContact O-N 3.44Å; S1049-K1052 PolarHBondContact O-N 3.1Å
1050K41.9Very low56.3Low201 Ų201147.3 Ų147.387%0.87473%0.733SS**G310 helixtrans-74.8-6.7-178.4-91-155.5172.8-165.60116S1048S1048-K1050 PolarHBondContact O-N 3.48Å
1051L43.8Very low54.3Low158 Ų158149.6 Ų149.683%0.82774%0.742SS**G310 helixtrans-82.8-29.7174.1-152.172.9000112.4S1048 S1049 R1053S1048-L1051 PolarHBondContact O-N 3.11Å; S1048-L1051 VanDerWaalsContact O-N 3.13Å; S1049-L1051 VanDerWaalsContact C-N 3.31Å; S1049-L1051 PolarHBondContact O-N 3.44Å; L1051-R1053 PolarHBondContact O-N 2.73Å
1052K40Very low52Low180 Ų180148.6 Ų148.678%0.78374%0.743SS**THydrogen-bonded Turntrans-8531.9-172.5-145.6-178.9-174.7178.90115.2S1049S1049-K1052 PolarHBondContact O-N 3.1Å
1053R48.5Very low49.6Very low238 Ų238155.1 Ų155.190%0.89878%0.775SS**THydrogen-bonded Turntrans-136.626174.1-151.6176.8-179.7158.81113.7L1051L1051-R1053 PolarHBondContact O-N 2.73Å
1054K48.3Very low47.2Very low196 Ų196164.8 Ų164.885%0.85282%0.816SS**SBendtrans-132.446.8164.4-157.2-161.2174.5-168.60111.3
1055E42.8Very low45.9Very low161 Ų161172.8 Ų172.875%0.75285%0.849SS**SBendtrans-146.637.5176.6-160.6-161.214500109.1
1056R44.5Very low45.1Very low254 Ų254176.6 Ų176.696%0.95886%0.856SS**  trans-175.560.4177.2-110.2173.4-171.4-111.30.4108.8
1057A40.7Very low44.2Very low164 Ų164177.5 Ų177.5100%1.35587%0.868SS**  trans-159.60171.900000106.4

Retrieved 1,057 of 1,057 residues in 202.2 ms (Link to these results)