A0A093H3K7_STRCA Loading...

Disks large-associated protein 1

AlphaFold DB , UniProt , Accession A0A093H3K7, Species STRCA (Struthio camelus australis), Gene n/a, Length 975 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
1M32Very low31.7Very low245 Ų245153.9 Ų153.9100%1.20784%0.835SS**  0171.10-84.9155.756.400109.5
2K35Very low31.5Very low214 Ų214157.4 Ų157.493%0.9384%0.841SS**  trans-43.4152.4176.6-48165.5-175.6177.20113.3
3G35.5Very low31.3Very low71 Ų71150.1 Ų150.173%0.73283%0.825SS**  cis140139-8.400000115.1
4L36.7Very low31.2Very low175 Ų175149.1 Ų149.192%0.91683%0.825SS**  trans77.5157.6159.8-58.5176.2000122.3
5S30.6Very low31.1Very low113 Ų113147.5 Ų147.579%0.7982%0.821SS**  trans69.2130.2166.2-57.10000118.7
6S30.8Very low30.9Very low120 Ų120145.5 Ų145.584%0.83982%0.819SS**  cis83.1102.32.9-1570000120.1
7S29.6Very low30.8Very low109 Ų109146.4 Ų146.476%0.76282%0.821SS**  trans-174.3119.9153.752.60000110
8R32.4Very low32.1Very low234 Ų234144.9 Ų144.988%0.88382%0.819SS**  48.7121.198.6-67.8-173.2173.6-146.8-1.5114.9
9S26.2Very low32.5Very low90 Ų90143.9 Ų143.963%0.62982%0.819SS**  80.8109.951.1-177.10000114.5
10H30.2Very low32.3Very low168 Ų168142.6 Ų142.678%0.77882%0.817SS**  -173.7-175.5120.4-104.6-70.3000113.5
11H29.8Very low32.2Very low154 Ų154142.3 Ų142.371%0.71381%0.813SS**  trans-110.3-176.5-160.8-73.6-99.7000114.8
12H28.8Very low32Very low196 Ų196136.5 Ų136.591%0.90780%0.797SS**  trans82.4146.1174.4-47.3-75.1000114.9
13G29.4Very low32.2Very low62 Ų62133.7 Ų133.764%0.63979%0.791SS**  cis156172.9-200000111.2
14V29.4Very low32.6Very low136 Ų136135.8 Ų135.882%0.82479%0.792SS**  trans73.5123.5-175.1-167.50000111.7
15T30.1Very low32.2Very low125 Ų125139.4 Ų139.477%0.76779%0.793SS**  cis97.2142.731.6-52.20000113.4
16C27.9Very low32.3Very low116 Ų116141.8 Ų141.878%0.78479%0.792SS**  trans91140.9175.8-60.90000118.8
17D29.6Very low33Very low161 Ų161141.4 Ų141.486%0.86179%0.787SS**  trans-94.9-150.7-179.9-51.5-90000112
18P53.2Low33.5Very low119 Ų119142.4 Ų142.477%0.77378%0.783SS**  -117.4178.8-127.238.5-19.4000115.3
19P41Very low33.3Very low127 Ų127142.5 Ų142.583%0.82578%0.783SS**  trans-131.2161.2154.137.5-24.7000114.5
20C28.7Very low33.7Very low116 Ų116146.7 Ų146.778%0.78479%0.791SS**  trans-104.4167.8177.7-67.90000113.6
21D30.5Very low34.4Very low138 Ų138143.3 Ų143.374%0.73878%0.783SS**  trans61.6124.6151.4-74.8-52.9000121.8
22S27.6Very low34.4Very low122 Ų122146 Ų14685%0.85379%0.789SS**  -162.3149.599.818.90000114.3
23L38.2Very low34.5Very low155 Ų155143.4 Ų143.481%0.81278%0.781SS**  trans-80.9-172.8176.9-72.3164.8000110.9
24P44Very low34.6Very low116 Ų116148.2 Ų148.275%0.75379%0.791SS**  cis-145.71679.542.9-24000119
25R29.4Very low34.4Very low250 Ų250148.4 Ų148.494%0.94379%0.787SS**  -162.4122.1121.1-114.3177.8-177.9-170.3-0.3114.4
26H32.1Very low35.4Very low163 Ų163147.3 Ų147.376%0.75578%0.782SS**  trans-82.1177.1159.8-130.4-114.7000108.6
27P44.6Very low35.4Very low113 Ų113147.9 Ų147.973%0.73478%0.782SS**  cis-138.5163.110.941.6-23.8000118.9
28D40.1Very low35.6Very low129 Ų129147.2 Ų147.269%0.6978%0.778SS**  trans-109.2145.5157179.615.9000109.8
29R28.7Very low35Very low236 Ų236146.6 Ų146.689%0.89177%0.774SS**  trans-168102.1172.1-116.6179.6-173-157.30.8115.2
30K34Very low34.8Very low179 Ų179148.9 Ų148.978%0.77877%0.774SS**  11.8154.5117.6-53.1-172.9-176.9-1760117.4
31P45.8Very low35.6Very low96 Ų96149.7 Ų149.762%0.62378%0.777SS**  cis-165.8-17645.948.1-26.4000121.6
32Y28.8Very low35.6Very low211 Ų211147.1 Ų147.183%0.82778%0.776SS**  trans62.4159.4150.1-63.9-43.8000119.7
33L30.8Very low35.7Very low142 Ų142148.9 Ų148.974%0.74378%0.775SS**  cis-153156.4-5.9-116.8161.5000106.5
34L32Very low35.7Very low162 Ų162150.3 Ų150.385%0.84878%0.778SS**  -179.3173.183.7-121142.7000112.2
35N25.7Very low36Very low141 Ų141149.9 Ų149.975%0.75478%0.775SS**  trans-113-167.7-177.2-135.43.1000109
36P50.5Low36.2Very low101 Ų101147.6 Ų147.666%0.65677%0.767SS**  cis-136.9-152.6-21.233.7-10.3000113.2
37V27.5Very low36.2Very low128 Ų128148.7 Ų148.778%0.77677%0.766SS**  trans109.499.4153.2-1730000118.8
38D33.9Very low35.5Very low148 Ų148148.1 Ų148.179%0.79176%0.761SS**  -88.1161.6125-110.4-48.4000107.7
39P40.3Very low35.3Very low106 Ų106149.5 Ų149.569%0.68876%0.763SS**  cis-140.1-171.724.242.5-23000116.7
40H37.6Very low35.4Very low175 Ų175148.6 Ų148.681%0.8176%0.76SS**  trans-55.8156.4168.1-61.7-72000114.7
41P45.3Very low35.1Very low132 Ų132146 Ų14686%0.85775%0.754SS**  -141.2-172.9100.938.7-24.2000115.4
42A31.6Very low34.4Very low85 Ų85145.5 Ų145.570%0.70275%0.753SS**  trans-88.4168.8-164.800000116.5
43D28.2Very low34.5Very low159 Ų159143.3 Ų143.385%0.8575%0.748SS**  -176.4155.6113.2-94.5-19.3000115
44H38.9Very low34.3Very low185 Ų185144.5 Ų144.586%0.85675%0.75SS**  trans-146.6150.9171.4-86.4-37.7000108.7
45P50.3Low34.2Very low107 Ų107140.6 Ų140.670%0.69574%0.741SS**  -158.1169.4112.938.3-18.9000118.5
46Y33.9Very low34.3Very low201 Ų201142 Ų14279%0.78874%0.743SS**  trans66.7137.3166.5-64.2-70.9000118.3
47Y31.9Very low33.2Very low187 Ų187141.8 Ų141.873%0.73374%0.743SS**  cis-161.8-176.3-6-138.1172.6000107.7
48T30Very low33.3Very low101 Ų101144 Ų14462%0.6275%0.747SS**  cis-150.6129.24.425.90000107.6
49Q34.9Very low33.3Very low157 Ų157143.3 Ų143.373%0.73475%0.748SS**  73.7101.190.9-162.7-166.519.700119.1
50R32.6Very low33.3Very low217 Ų217143.7 Ų143.782%0.81975%0.75SS**  -175.9138.3116.5-112.3-169.5162.4155.4-1.5115
51N27.6Very low32.9Very low125 Ų125145.5 Ų145.567%0.66875%0.751SS**  trans45.1126.2157.3-55.810.5000119.7
52S30.7Very low32Very low85 Ų85144.5 Ų144.559%0.59475%0.748SS**  cis71.2137.326.885.20000115.3
53F29.8Very low31.9Very low165 Ų165147.7 Ų147.772%0.72475%0.753SS**  cis-149.2154.241.8-80.1-92.9000116.9
54Q26.7Very low32Very low168 Ų168148.6 Ų148.679%0.78575%0.752SS**  trans42.4140.4140.9-65.8175.5-6300121.8
55A29.5Very low31.7Very low80 Ų80147.3 Ų147.366%0.66175%0.75SS**  cis76.6145.64100000113.3
56E29.1Very low30.7Very low169 Ų169146.2 Ų146.279%0.7975%0.75SS**  cis-163.1178.510-143.8174.7-124.100112.2
57C26.4Very low30.4Very low98 Ų98142.4 Ų142.466%0.66275%0.752SS**  trans48.6121.9154-71.30000122.9
58M29.5Very low30.3Very low175 Ų175138.5 Ų138.586%0.86275%0.753SS**  168.8155114.8-93.1-6616700114.1
59V33.8Very low30.3Very low132 Ų132139.4 Ų139.480%0.876%0.758SS**  trans-136.6129170.6170.10000108.7
60P40.3Very low30.3Very low114 Ų114141.3 Ų141.374%0.7476%0.764SS**  -147.1156.8129.136.2-20.3000116.5
61Y30.1Very low30.7Very low213 Ų213136.4 Ų136.484%0.83576%0.76SS**  trans-17.8141.1158.2-80.6-103.3000119.1
62S26.2Very low30.8Very low112 Ų112140.7 Ų140.778%0.78377%0.767SS**  -177.9147.5108.1-76.70000113.4
63D30Very low30.6Very low152 Ų152147.2 Ų147.281%0.81378%0.779SS**  trans-77.6143.3165.6-77.4-67.7000112.2
64Q31Very low30.5Very low177 Ų177147 Ų14783%0.82778%0.78SS**  trans-162.597153.9-120.2152.4102.900115.4
65I31.6Very low30.4Very low159 Ų159149.4 Ų149.482%0.81578%0.783SS**  40.9124.8120.6-60.2171.4000119.7
66A28.7Very low30.4Very low84 Ų84152.5 Ų152.569%0.69479%0.789SS**  trans80.3121.814900000122.2
67S28.2Very low30.4Very low120 Ų120150 Ų15084%0.83979%0.79SS**  33.9125.2124.1-50.10000121.1
68S29.3Very low30.6Very low106 Ų106154.2 Ų154.274%0.74180%0.799SS**  163.7130.1113.7-171.80000113.6
69T30.6Very low30.5Very low119 Ų119154 Ų15473%0.7380%0.796SS**  trans44127.3139.8-39.70000122.3
70F33.9Very low30.4Very low197 Ų197156.4 Ų156.486%0.86480%0.798SS**  trans-27.5148.9161.9-63.1-86.5000117.8
71P42.1Very low30Very low114 Ų114157.3 Ų157.374%0.7480%0.796SS**  -146.8171.9102.639.5-25.9000116.8
72R28.9Very low30Very low216 Ų216155.1 Ų155.182%0.81579%0.791SS**  trans68.9115.1167.7-108.8163174.4152.9-0.9115.6
73R27Very low30.2Very low221 Ų221155.4 Ų155.483%0.83478%0.784SS**  50.8118.768.8-65.1-174.9177.1-173-0.6113.1
74H27.7Very low30.3Very low162 Ų162156.1 Ų156.175%0.7578%0.782SS**  -162.8-169.599.7-99-71.8000110.8
75Y25.1Very low30.3Very low218 Ų218152.2 Ų152.286%0.85577%0.773SS**  trans-104.7171.2-154.5-124.1-113.1000114.5
76N28.9Very low30.2Very low145 Ų145150 Ų15078%0.77577%0.768SS**  trans-50.8152.5166.1-52.6-13.4000112.7
77S28.8Very low30.3Very low115 Ų115153 Ų15380%0.80477%0.771SS**  -147.4127.3127.951.20000110.9
78H30.1Very low30.2Very low188 Ų188153.2 Ų153.287%0.8777%0.767SS**  trans-69.8149.6149.9-118.1-114.3000107.2
79H27.6Very low30.9Very low169 Ų169153.2 Ų153.278%0.78277%0.765SS**  trans-101.1119.1176.8-168.639.8000109.3
80E32.4Very low30.8Very low183 Ų183156.7 Ų156.786%0.85577%0.772SS**  trans-146.1149.3167.7-150.5157.7-146.400109.2
81L32.6Very low30.5Very low134 Ų134150.3 Ų150.370%0.70276%0.762SS**  trans-89.1167.8-175.4-60.1158.2000108.5
82K30.1Very low29.8Very low167 Ų167152 Ų15273%0.72677%0.77SS**  cis-164.5151.424.6-159162.7179.9-172.80112.3
83D30.2Very low29.8Very low118 Ų118145.9 Ų145.963%0.63177%0.766SS**  trans7.6146.6148-35.5-27.7000119.7
84E32.5Very low29.9Very low166 Ų166142.3 Ų142.378%0.77676%0.764SS**  cis-168.3161.3-4.7-125.7-164.9115.900111.9
85C30.5Very low30.1Very low95 Ų95143 Ų14364%0.64277%0.765SS**  trans48.4148.5143.2-72.20000123.2
86T30.1Very low30.4Very low113 Ų113138.3 Ų138.369%0.69376%0.758SS**  cis-1661627.720000114.1
87L30.5Very low30.5Very low148 Ų148138.3 Ų138.378%0.77576%0.759SS**  trans64.9125.9152.2-62.3159.3000119.4
88V26.3Very low30.8Very low124 Ų124143.4 Ų143.475%0.75276%0.76SS**  cis73.5134.633.5-176.30000112.6
89P43.1Very low31.1Very low106 Ų106142 Ų14269%0.68876%0.757SS**  cis-137.6-170.120.523.94.1000118.6
90H27.5Very low31.1Very low192 Ų192142.6 Ų142.689%0.88976%0.76SS**  trans1157.1155.6-47.9-61.2000122.5
91G28.1Very low31.1Very low62 Ų62137.4 Ų137.464%0.63975%0.748SS**  cis161.8169-3.200000115.3
92T27.5Very low31.2Very low149 Ų149138.6 Ų138.691%0.91476%0.755SS**  trans67.6123.4163.155.40000124.3
93A29.9Very low31.4Very low89 Ų89137.7 Ų137.774%0.73676%0.758SS**  trans86.7117.1132.300000125.2
94N28.4Very low31.8Very low146 Ų146140.7 Ų140.778%0.78177%0.773SS**  trans83.9119133.6-77.2-30.2000125
95K31.4Very low32Very low177 Ų177139.7 Ų139.777%0.7777%0.773SS**  trans8199.2138.4-67-177.3179.9-179.60122.8
96T32.2Very low32.1Very low118 Ų118142.9 Ų142.972%0.72478%0.778SS**  56.7104.3129.860.20000121.4
97N31.2Very low32.1Very low146 Ų146147.6 Ų147.678%0.78179%0.789SS**  170151.4100-94.6-61.3000115.3
98R33.7Very low32.1Very low222 Ų222147.6 Ų147.684%0.83879%0.785SS**  trans58.391.8156.6-68179.2178.1171.8-0.9121.2
99I36.3Very low32.3Very low157 Ų157151 Ų15181%0.80579%0.785SS**  37.6114.7120.2-53.2161000118.6
100H28.1Very low31.8Very low183 Ų183153.3 Ų153.385%0.84779%0.787SS**  -154.2166.7108.5-139.7-94.9000113.6
101A32.7Very low32.4Very low73 Ų73151 Ų15160%0.60378%0.78SS**  trans-47.7123.6-164.700000118.4
102N35Very low33Very low160 Ų160153.3 Ų153.386%0.85678%0.783SS**  -165.9129112.5-101.2-21.2000110.4
103L33.2Very low33.2Very low147 Ų147152.8 Ų152.877%0.7777%0.774SS**  trans-148.384.4173.9-103.8174.6000110.4
104L38.6Very low33.2Very low182 Ų182155.6 Ų155.695%0.95378%0.777SS**SBendtrans-137.743.6162.9-161.980.2000110.8
105D38.7Very low33.4Very low145 Ų145160.6 Ų160.678%0.77579%0.785SS**SBendtrans-166.5102.2150.4-177.327.3000110.1
106Q32.5Very low33.4Very low162 Ų162159.8 Ų159.876%0.75779%0.789SS**  trans176.986.4152.6-108-171.65.300110
107F28.3Very low33.5Very low211 Ų211157.6 Ų157.693%0.92579%0.79SS**  trans-162.550.7156-110.5-57.4000114.9
108E30.9Very low33.6Very low148 Ų148161 Ų16169%0.69279%0.794SS**  trans-148.3144.3151.1-116.4-158.199.600112.6
109R31.8Very low33.7Very low195 Ų195159.5 Ų159.574%0.73680%0.795SS**  trans75.1131.6165.9-65.7158.1-158.3-141.50.2115.2
110Q32.7Very low33.6Very low156 Ų156157.7 Ų157.773%0.72979%0.792SS**  cis-158.3139.214-113.5160.222.600114.8
111L39.8Very low33.9Very low144 Ų144157.3 Ų157.375%0.75480%0.795SS**  trans66.1171.1140.1-67.1169.7000119.4
112P39.6Very low34.2Very low109 Ų109162.6 Ų162.671%0.70881%0.807SS**  cis-134.4158.36.839-20.3000119.9
113L32.3Very low34Very low138 Ų138166.1 Ų166.172%0.72381%0.81SS**  trans46.9132.1149-78.386.2000125.2
114N30.1Very low34Very low148 Ų148169.2 Ų169.279%0.79182%0.818SS**  trans71.6112141.5-74.3-15.6000123.1
115R31.8Very low33.8Very low252 Ų252171.6 Ų171.695%0.95181%0.814SS**  -162.2138.8126.4-131.9178.1-176.6179.30.8113.5
116D32.5Very low33.6Very low160 Ų160171.2 Ų171.286%0.85682%0.817SS**  trans-82.8149.6160.9-85.8-55.5000110.9
117G33.2Very low33.6Very low72 Ų72167.6 Ų167.674%0.74282%0.815SS**  trans165.8103.9172.900000114.7
118Y33.9Very low33.7Very low218 Ų218164.5 Ų164.586%0.85581%0.805SS**  trans-72.2150.9173.1-67.5-104.7000111.8
119H36.4Very low33.9Very low189 Ų189164.9 Ų164.988%0.87581%0.807SS**  trans-153.2145137.5-109.967.3000112
120T33.1Very low34.2Very low119 Ų119161.7 Ų161.773%0.7380%0.8SS**PPolyproline II helixtrans-55.1139.5-165.551.60000118.1
121L35.8Very low35.1Very low175 Ų175166.4 Ų166.492%0.91681%0.811SS**PPolyproline II helixtrans-87.4134.5153.1-78.7170.9000110.6
122Q39Very low35.1Very low184 Ų184162.3 Ų162.386%0.8679%0.794SS**PPolyproline II helixtrans-95.9143.1167.6-70.4-174.1-6.900110.8
123Y30.6Very low35.9Very low235 Ų235164.1 Ų164.192%0.92280%0.798SS**PPolyproline II helixtrans-72.7135.7177.9-84-97.7000112.6
124K31.4Very low36.9Very low212 Ų212160.6 Ų160.692%0.92279%0.785SS**  trans-120146.9150.1-120.4-178.9-179.5-179.20109.1
125R35.6Very low38.1Very low232 Ų232157.9 Ų157.988%0.87578%0.775SS**  trans-131.4118-162.7-178.9-159.4-66.3-169.9-0.6112.7
126T33.4Very low39.9Very low136 Ų136146.8 Ų146.883%0.83474%0.74SS**  trans-153.9113.2157.943.20000105.1
127A32.9Very low41.7Very low87 Ų87147.4 Ų147.472%0.71973%0.73SS**  57128.66200000111.4
128M31.9Very low43.4Very low145 Ų145149.1 Ų149.171%0.71472%0.721SS**  cis-146.4175.29.8-141.2134.1146.100107.5
129E33.8Very low45.3Very low157 Ų157146 Ų14673%0.73471%0.708SS**  cis-152.1121.122.9-178136.1-138.500113.9
130H38.7Very low47.1Very low128 Ų128143.6 Ų143.659%0.59370%0.697SS**  trans20.9105.8154.1-62.1-68.8000122.7
131R50.6Low49.4Very low255 Ų255143.5 Ų143.596%0.96269%0.691SS**  -65.6135.6124.6-70.7-174.3174.8-145.6-0.8108.9
132S40.4Very low51.3Low57 Ų57136.9 Ų136.940%0.39966%0.658SS.*  trans-15384.6179.450.40000113.6S134S132-S134 PolarHBondContact O-N 2.91Å
133D57.5Low52.8Low147 Ų147133.6 Ų133.679%0.78664%0.642SS**  trans-76.267.7155.5-89.1-47.4000109.9
134S52.8Low55.1Low64 Ų64125.9 Ų125.945%0.44862%0.623SS.*  trans-76.6139.7173.8-65.50000110.3S132 G136 R137S132-S134 PolarHBondContact O-N 2.91Å; S134-G136 PolarHBondContact O-N 2.59Å; S134-R137 WeakPolarHBondContact O-CB 3.45Å; S134-R137 PolarHBondContact O-N 3.23Å
135P55.6Low57.4Low91 Ų91117.4 Ų117.459%0.59159%0.588SS**Hα-helixtrans-58-4.5175.6-27.935.8000116.1R139P135-R139 WeakPolarHBondContact O-CG 3.39Å; P135-R139 PolarHBondContact O-N 3.11Å; P135-R139 PolarHBondContact O-NE 3.38Å
136G68.7Low59.2Low20 Ų20109.3 Ų109.321%0.20656%0.561CS.*Hα-helixtrans-68-39.9164.300000113S134 I138 R139 H140S134-G136 PolarHBondContact O-N 2.59Å; G136-I138 PolarHBondContact O-N 2.93Å; G136-R139 PolarHBondContact O-N 3.16Å; G136-H140 PolarHBondContact O-CD2 2.88Å; G136-H140 PolarHBondContact O-N 2.96Å
137R70.6Confident61Low173 Ų173109.6 Ų109.665%0.65355%0.55SS**Hα-helixtrans-64.8-43.1-175.9-140.2175.5-169.6-179.52.8111.7S134 H140 L141S134-R137 WeakPolarHBondContact O-CB 3.45Å; S134-R137 PolarHBondContact O-N 3.23Å; R137-H140 PolarHBondContact O-N 3.26Å; R137-L141 PolarHBondContact O-N 3.21Å
138I69.6Low62.7Low107 Ų107109.3 Ų109.355%0.54954%0.536SS..Hα-helixtrans-61.4-45.7173-59.7171.9000110.7G136 H140 L141 V142G136-I138 PolarHBondContact O-N 2.93Å; I138-H140 PolarHBondContact O-N 3.42Å; I138-L141 WeakPolarHBondContact O-CB 3.24Å; I138-L141 PolarHBondContact O-N 3.34Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.41Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.99Å
139R73.4Confident64Low154 Ų154106.8 Ų106.858%0.58152%0.521SS*.Hα-helixtrans-63.9-38.6177.2-76.1-179.5-69.9166.40.4113P135 G136 H143P135-R139 WeakPolarHBondContact O-CG 3.39Å; P135-R139 PolarHBondContact O-N 3.11Å; P135-R139 PolarHBondContact O-NE 3.38Å; G136-R139 PolarHBondContact O-N 3.16Å; R139-H143 VanDerWaalsContact O-CB 3.28Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.03Å
140H73.9Confident64.8Low137 Ų137104.5 Ų104.563%0.63452%0.519SS*.Hα-helixtrans-67.9-38.3174.4-75-62.9000112.7G136 R137 I138 S144G136-H140 PolarHBondContact O-CD2 2.88Å; G136-H140 PolarHBondContact O-N 2.96Å; R137-H140 PolarHBondContact O-N 3.26Å; I138-H140 PolarHBondContact O-N 3.42Å; H140-S144 WeakPolarHBondContact O-CB 3.34Å; H140-S144 PolarHBondContact O-N 3.39Å; H140-S144 PolarHBondContact O-OG 3.31Å
141L81.8Confident65.1Low118 Ų118106.8 Ų106.862%0.61853%0.527SS*.Hα-helixtrans-59.7-57172.2-174.267.6000110R137 I138 H143 S144 V145R137-L141 PolarHBondContact O-N 3.21Å; I138-L141 WeakPolarHBondContact O-CB 3.24Å; I138-L141 PolarHBondContact O-N 3.34Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.94Å; L141-S144 PolarHBondContact O-N 3.02Å; L141-S144 VanDerWaalsContact O-N 3.16Å; L141-V145 HydrophobicContact CD1-CG2 4.37Å; L141-V145 HydrophobicContact CG-CG2 4.46Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.31Å
142V75.6Confident64.8Low35 Ų3598.7 Ų98.721%0.21251%0.509CS..Hα-helixtrans-55.3-45.1179.6170.20000112.1I138 V145 Q146 E237 A238I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.41Å; I138-V142 WeakPolarHBondContact O-CG2 3.37Å; I138-V142 PolarHBondContact O-N 2.99Å; V142-V145 PolarHBondContact O-N 3.28Å; V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; V142-E237 HydrophobicContact CG1-CB 4.24Å; V142-E237 HydrophobicContact CG1-CG 3.92Å; V142-A238 VanDerWaalsContact CG1-N 3.35Å
143H71Confident65Low115 Ų115104.5 Ų104.553%0.53253%0.53SS..Hα-helixtrans-72.1-30.4-179-163.5-22.6000113.2R139 L141 K147R139-H143 VanDerWaalsContact O-CB 3.28Å; R139-H143 WeakPolarHBondContact O-CB 3.38Å; R139-H143 PolarHBondContact O-N 3.03Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 2.94Å; H143-K147 PolarHBondContact O-N 3.44Å
144S77.5Confident64.6Low74 Ų74102.2 Ų102.252%0.51753%0.525SS..Hα-helixtrans-70-41.8173.7-55.80000110.9H140 L141 K147 L148H140-S144 WeakPolarHBondContact O-CB 3.34Å; H140-S144 PolarHBondContact O-N 3.39Å; H140-S144 PolarHBondContact O-OG 3.31Å; L141-S144 PolarHBondContact O-N 3.02Å; L141-S144 VanDerWaalsContact O-N 3.16Å; S144-K147 WeakPolarHBondContact O-CB 3.47Å; S144-K147 PolarHBondContact O-N 2.96Å; S144-K147 VanDerWaalsContact O-N 3.15Å; S144-L148 PolarHBondContact O-N 3.43Å
145V79.8Confident64.2Low33 Ų33106.6 Ų106.620%0.254%0.543CS..Hα-helixtrans-66.1-38.5177.2170.40000110.8L141 V142 K147 L148 Y239 N240L141-V145 HydrophobicContact CD1-CG2 4.37Å; L141-V145 HydrophobicContact CG-CG2 4.46Å; L141-V145 VanDerWaalsContact O-CB 3.28Å; L141-V145 WeakPolarHBondContact O-CB 3.5Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 3.31Å; V142-V145 PolarHBondContact O-N 3.28Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.46Å; V145-L148 PolarHBondContact O-N 3.13Å; V145-Y239 CarbonylContact O-C 3.52Å; V145-N240 PolarHBondContact O-N 2.98Å; V145-N240 VanDerWaalsContact O-N 3.11Å; V145-N240 VanDerWaalsContact O-O 3.1Å
146Q74.8Confident63.2Low63 Ų63110.7 Ų110.729%0.29455%0.554SS.*Hα-helixtrans-63.7-28171.4-164.314934.400113.8V142 T150 E237 A238V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; Q146-T150 PolarHBondContact O-N 3.22Å; Q146-T150 PolarHBondContact O-OG1 3.04Å; Q146-E237 VanDerWaalsContact NE2-C 3.29Å; Q146-E237 PolarHBondContact NE2-O 3.09Å; Q146-E237 VanDerWaalsContact OE1-C 3.24Å; Q146-A238 VanDerWaalsContact CA-O 3.3Å; Q146-A238 WeakPolarHBondContact CA-O 3.44Å; Q146-A238 WeakPolarHBondContact CB-O 3.31Å; Q146-A238 WeakPolarHBondContact CG-O 3.34Å; Q146-A238 PolarHBondContact NE2-O 2.62Å
147K69.9Low61.5Low141 Ų141113 Ų11361%0.61358%0.578SS**Hα-helixtrans-77.7-18.4175.3-94.3-175.8173.1-1800114.4H143 S144 V145 T150H143-K147 PolarHBondContact O-N 3.44Å; S144-K147 WeakPolarHBondContact O-CB 3.47Å; S144-K147 PolarHBondContact O-N 2.96Å; S144-K147 VanDerWaalsContact O-N 3.15Å; V145-K147 VanDerWaalsContact C-N 3.27Å; V145-K147 PolarHBondContact O-N 3.46Å; K147-T150 WeakPolarHBondContact CA-OG1 3.28Å
148L69.3Low59.9Low81 Ų81110.9 Ų110.942%0.42459%0.587SS.*Hα-helixtrans-75.7-43.3172-77.7160000110.5S144 V145 K151 S152 N240S144-L148 PolarHBondContact O-N 3.43Å; V145-L148 PolarHBondContact O-N 3.13Å; L148-K151 PolarHBondContact O-N 3.39Å; L148-K151 VanDerWaalsContact O-N 3.14Å; L148-S152 PolarHBondContact O-N 3.3Å; L148-N240 VanDerWaalsContact CB-O 3.31Å; L148-N240 WeakPolarHBondContact CB-O 3.2Å
149F58.8Low58.4Low92 Ų92111.3 Ų111.340%0.40460%0.599SS.*Hα-helixtrans-75-26.1-177.1-96.3-128.7000115K151 S152 Y239 N240 T241F149-K151 PolarHBondContact O-N 3.01Å; F149-S152 PolarHBondContact O-OG 3.49Å; F149-Y239 WeakPolarHBondContact CB-O 3.38Å; F149-N240 HydrophobicContact CD1-CB 3.86Å; F149-N240 HydrophobicContact CD2-CB 3.56Å; F149-N240 WeakPolarHBondContact CD2-O 3.24Å; F149-N240 HydrophobicContact CE1-CB 3.61Å; F149-N240 VanDerWaalsContact CE2-C 3.47Å; F149-N240 HydrophobicContact CE2-CB 3.35Å; F149-N240 HydrophobicContact CG-CB 3.85Å; F149-N240 VanDerWaalsContact CG-N 3.34Å; F149-N240 HydrophobicContact CZ-CB 3.37Å; F149-T241 VanDerWaalsContact CE2-OG1 3.22Å; F149-T241 WeakPolarHBondContact CE2-OG1 3.3Å
150T50.2Low56.5Low110 Ų110114.1 Ų114.168%0.67562%0.616SS**THydrogen-bonded Turntrans-77.6-6.4170.841.20000113.3Q146 K147Q146-T150 PolarHBondContact O-N 3.22Å; Q146-T150 PolarHBondContact O-OG1 3.04Å; K147-T150 WeakPolarHBondContact CA-OG1 3.28Å
151K44.7Very low54.4Low175 Ų175111 Ų11176%0.76162%0.621SS**THydrogen-bonded Turntrans-112-19-178.4-154-177.4-179.1-167.60114.2L148 F149L148-K151 PolarHBondContact O-N 3.39Å; L148-K151 VanDerWaalsContact O-N 3.14Å; F149-K151 PolarHBondContact O-N 3.01Å
152S44.9Very low51.8Low86 Ų86111 Ų11160%0.60163%0.631SS**THydrogen-bonded Turntrans-78.2-14.7178.353.70000114.6L148 F149 S154L148-S152 PolarHBondContact O-N 3.3Å; F149-S152 PolarHBondContact O-OG 3.49Å; S152-S154 PolarHBondContact O-N 3.17Å
153H44.5Very low49.9Very low179 Ų179116.1 Ų116.183%0.82966%0.662SS**THydrogen-bonded Turntrans-9213.2-171.6-133.9-49000115.3
154S48.8Very low47.8Very low99 Ų99118.3 Ų118.369%0.69268%0.678SS**  trans-14572.7-170.6174.90000113.6S152S152-S154 PolarHBondContact O-N 3.17Å
155L44.5Very low45.4Very low155 Ų155118.8 Ų118.881%0.81269%0.694SS**  trans-160.6165.4154.4-108.4163.8000109.8
156E34Very low43.1Very low177 Ų177122.8 Ų122.883%0.82772%0.723SS**  trans54.8111-167.7-91.951.6-115.100114.9
157G33.5Very low40.9Very low69 Ų69130 Ų13071%0.71175%0.753SS**  cis-170.8-147.62.900000109.4
158P36.8Very low38.8Very low128 Ų128128.2 Ų128.283%0.83177%0.765SS**  cis-124163.23.841-27.9000114.7
159S38.1Very low36.6Very low117 Ų117129.8 Ų129.882%0.81878%0.783SS**  trans-91.3149.4164.758.40000111.9
160K33.8Very low35.8Very low212 Ų212130.4 Ų130.492%0.92280%0.797SS**  trans-159140.9170-109.3-175-176.6179.60112.3
161G31Very low34.6Very low73 Ų73133.6 Ų133.675%0.75380%0.804SS**  trans93.291.6178.100000112.1
162S27.2Very low33.6Very low118 Ų118132.9 Ų132.983%0.82580%0.803SS**  cis73.1103.643.9-165.90000114.8
163V33.8Very low32.7Very low141 Ų141131.9 Ų131.986%0.85580%0.796SS**  trans-163.8148.5135.2130.70000110
164N28.5Very low31.9Very low162 Ų162131.2 Ų131.287%0.86679%0.793SS**  trans-81.9159.8-179.8-61.2-33.2000112.3
165G27.5Very low30.9Very low83 Ų83131.2 Ų131.286%0.85679%0.789SS**  trans176.880.916800000115.9
166S29.6Very low30.2Very low117 Ų117130.2 Ų130.282%0.81878%0.782SS**  trans-96.3151.2163.8-56.70000110.9
167K29.2Very low29.9Very low214 Ų214131 Ų13193%0.9378%0.778SS**  trans83.4122.7-178.4-55-178.9176.5-174.20116.1
168A25.2Very low29.9Very low104 Ų104138.6 Ų138.686%0.8679%0.786SS**  trans-155.9119.6155.100000109.5
169S23.7Very low29.5Very low115 Ų115135.9 Ų135.980%0.80478%0.782SS**  trans175.1138.2162.6-175.80000109.4
170P42Very low29.4Very low105 Ų105140.2 Ų140.268%0.68279%0.786SS**  cis-120.9-144.1-32.138.5-22.1000109.1
171E24.8Very low29.3Very low176 Ų176141.2 Ų141.282%0.82278%0.784SS**  trans72.8132.2162.4-133.5145.3-129.600115.4
172E25Very low29.3Very low160 Ų160143.4 Ų143.475%0.74879%0.788SS**  cis-159176.8-10.7-145.5-154.9-159.800111.4
173S26.3Very low29.4Very low65 Ų65147.5 Ų147.546%0.45579%0.79SS.*  trans63111144.9-86.70000123.6
174Q27.4Very low29.3Very low165 Ų165146.6 Ų146.677%0.77179%0.791SS**  76.9147.9128.8-59.1175.955.200120.5
175T27.2Very low29.4Very low100 Ų100146.9 Ų146.961%0.61378%0.784SS**  cis-162.4171.3-19.736.90000111.1
176M29.1Very low29.5Very low134 Ų134150.1 Ų150.166%0.6678%0.777SS**  trans78.7141.1160.5-49.5-52.3171.700118.2
177R29Very low29.8Very low194 Ų194155.7 Ų155.773%0.73278%0.78SS**  cis-161.6173.6-11.4-122.1177.3-155.3-163.67.8112.2
178Y32.1Very low29.9Very low227 Ų227156.9 Ų156.989%0.8978%0.779SS**  trans75.5130.2174.3-60-89.7000116.8
179G29.4Very low30.1Very low71 Ų71158 Ų15873%0.73278%0.78SS**  cis175146.4-14.600000117.5
180K35.4Very low30.3Very low208 Ų208159.8 Ų159.890%0.90478%0.776SS**  trans72.5110.3154.1-63.8179.8178.6175.20122.1
181R32.5Very low29.7Very low234 Ų234158.5 Ų158.588%0.88378%0.782SS**  83.2107.6118.9-169.6-168.3-165.4177.36.7121.2
182S29.8Very low30.2Very low119 Ų119158.1 Ų158.183%0.83278%0.777SS**  -175.6171.9109-117.40000114.6
183K30.4Very low31.4Very low203 Ų203155.4 Ų155.488%0.88377%0.774SS**  trans-114.5144.5-175.4-67.7-179.1177-178.30113.7
184S30.6Very low31.7Very low123 Ų123164 Ų16486%0.8680%0.796SS**  173.4169.7127.963.20000108.9
185K31.1Very low31.9Very low168 Ų168160.8 Ų160.873%0.7379%0.792SS**  cis-168.7101.7-45.1172174.1174.6175.10105.2
186E29.1Very low32.1Very low150 Ų150163.3 Ų163.370%0.70180%0.802SS**  trans46.6119.5133.7-179.9-176.4-113.600120.5
187R36.9Very low32Very low235 Ų235161.3 Ų161.389%0.88781%0.806SS**  -165.3142.3124-103.1170.8-162.3117.3-6.9111.8
188R30.2Very low32.2Very low239 Ų239157.9 Ų157.990%0.90281%0.812SS**  trans-92.7160.9157.8-66.7-79.6-169.5158.71.6107.6
189S31.1Very low32Very low127 Ų127150.6 Ų150.689%0.88881%0.806SS**  -158.8-179.689.850.50000113.2
190E26.5Very low32.1Very low152 Ų152158.5 Ų158.571%0.7181%0.814SS**  trans-113.6154.7-165.1179.8179.917000112.7K192E190-K192 VanDerWaalsContact OE1-CD 3.23Å; E190-K192 WeakPolarHBondContact OE1-CD 3.01Å; E190-K192 WeakPolarHBondContact OE1-CE 3.48Å; E190-K192 IonicContact OE1-NZ 2.64Å; E190-K192 PolarHBondContact OE1-NZ 3.24Å
191G29.3Very low32Very low79 Ų79159.6 Ų159.681%0.81481%0.813SS**  trans-155.8106174.900000113.7
192K36.4Very low31.7Very low167 Ų167153.2 Ų153.273%0.72680%0.804SS**  trans-86.1-176.5177.6-109.5115.1170.1-177.20111.3E190E190-K192 VanDerWaalsContact OE1-CD 3.23Å; E190-K192 WeakPolarHBondContact OE1-CD 3.01Å; E190-K192 WeakPolarHBondContact OE1-CE 3.48Å; E190-K192 IonicContact OE1-NZ 2.64Å; E190-K192 PolarHBondContact OE1-NZ 3.24Å
193P50.2Low31.7Very low104 Ų104152.1 Ų152.168%0.67580%0.797SS**  cis-141.4170.6-40.935.3-18000114.5
194R31.2Very low31.6Very low245 Ų245149.1 Ų149.193%0.92579%0.79SS**  168.7170.1121.3-96.2175.2173.7167.8-1.2113.3
195S32.9Very low31.7Very low97 Ų97149.8 Ų149.868%0.67878%0.784SS**  trans-155.5170.8-171.765.60000113.3
196N30.6Very low31.6Very low153 Ų153147.1 Ų147.182%0.81878%0.778SS**  trans89.3153.8162.1-55.64000119.4
197A27.9Very low32.1Very low92 Ų92147.2 Ų147.276%0.7678%0.782SS**  trans66.6123.7171.800000117.2
198S33.5Very low31.7Very low122 Ų122142.1 Ų142.185%0.85377%0.772SS**  cis93.9119.523.880.50000115.6
199G27.8Very low31.7Very low75 Ų75136.9 Ų136.977%0.77376%0.762SS**  trans163.9146.1167.600000114.5
200W31.5Very low31.9Very low236 Ų236137.7 Ų137.789%0.89476%0.757SS**  trans-62.2169165.3-62.2-71.3000111.2
201W32.5Very low32.1Very low232 Ų232136 Ų13688%0.87976%0.756SS**  cis-143.6148.832.1-71.171.9000109.3
202S26.3Very low32.3Very low99 Ų99136.9 Ų136.969%0.69275%0.75SS**  71.8140.373.1-152.30000116.3
203S28.8Very low32Very low97 Ų97135.4 Ų135.468%0.67875%0.748SS**  trans81.3118.7161.7-82.40000121.8
204D29Very low31.1Very low140 Ų140139.6 Ų139.675%0.74975%0.752SS**  74.7108.7124.9-64.5-67.2000123.1
205D32.1Very low31.1Very low137 Ų137136 Ų13673%0.73375%0.745SS**  86.6152.1117.9-139.313000122.8
206N30.4Very low30.9Very low112 Ų112134.6 Ų134.660%0.59975%0.746SS**  trans61.6108.5166.2-72.1-69.6000123
207L38.1Very low32Very low151 Ų151133.6 Ų133.679%0.79175%0.747SS**  59.8166.9114.4-65.8-178.3000122.8
208D30.4Very low32.5Very low128 Ų128135 Ų13568%0.68475%0.752SS**  trans59.6114.5-176.3-78.6-99.9000116.1
209N28.9Very low32.6Very low129 Ų129132.4 Ų132.469%0.6974%0.744SS**  81.3146.763.3-74-35.2000113.5
210D34.7Very low33Very low144 Ų144135.4 Ų135.477%0.7775%0.747SS**  trans65.2138.8153.5-77.72.6000120.7
211V32.5Very low33Very low116 Ų116131.8 Ų131.870%0.70374%0.742SS**  cis-164.2-171.3-22.490.40000109.1
212C32.8Very low33Very low99 Ų99127.7 Ų127.767%0.66974%0.743SS**  trans86.1123.8152.7-960000121.7
213I30Very low33.4Very low136 Ų136130.8 Ų130.870%0.69775%0.749SS**  103.688.2127.1-67.7166.3000120.7
214Y30.9Very low33.5Very low192 Ų192129.6 Ų129.675%0.75375%0.751SS**  84.5147.4125-86.3-94.5000126.3
215H31.3Very low33.6Very low170 Ų170134.6 Ų134.679%0.78776%0.76SS**  trans71.8119.5153.9-70.6-59000122.4
216G28.8Very low33.5Very low67 Ų67133.9 Ų133.969%0.69176%0.764SS**  trans-99-142.2149.100000110.7
217P54.5Low34.1Very low131 Ų131134.7 Ų134.785%0.85178%0.775SS**  cis-146.2-158.68.944.7-24.1000115.8
218S37.3Very low33.5Very low122 Ų122133.2 Ų133.285%0.85377%0.769SS**  trans95.4150.1156-152.50000119.7
219G36.7Very low33.6Very low67 Ų67137 Ų13769%0.69177%0.773SS**  trans-175.8-23.7-17400000121.2
220V36.3Very low33.6Very low139 Ų139135.8 Ų135.884%0.84278%0.775SS**  trans72.4165.2169.5-1570000117.7
221M30.5Very low33.3Very low160 Ų160134 Ų13479%0.78877%0.774SS**  trans-134.5171.6-167.8-48.3166.173.800112.4
222T33.5Very low33Very low146 Ų146133.2 Ų133.290%0.89677%0.773SS**  trans-163.3164.1154.1-77.30000111.1
223M33.9Very low32.8Very low164 Ų164135.8 Ų135.881%0.80878%0.776SS**  trans-144.1154.1-154.9-78-92.6-74.800117.3
224G29.9Very low32.6Very low71 Ų71138.1 Ų138.173%0.73278%0.777SS**  trans94.7163.3151.100000119
225R31.3Very low32.5Very low245 Ų245135.8 Ų135.893%0.92577%0.771SS**  cis-161.1168.3-16.5-91.9-165.2-174.2-123.13.7110.3
226C30.1Very low32.2Very low123 Ų123134.2 Ų134.283%0.83177%0.766SS**  trans-96.9-175.4173.9-40.40000112.2
227P43.3Very low32.3Very low128 Ų128136.5 Ų136.583%0.83176%0.758SS**  cis-135-147.243.638.3-14.1000112.8
228D26.7Very low31.1Very low121 Ų121131.9 Ų131.965%0.64773%0.731SS**  cis-156.1170.2-2.3-169.817.8000110.5
229R31.5Very low30.7Very low206 Ų206133.4 Ų133.478%0.77772%0.719SS**  trans65.8123.6162.6-51-148.9172.1-156-8.2119.2
230S30.2Very low30.5Very low104 Ų104133.1 Ų133.173%0.72770%0.702SS**  cis76.9131.347.985.70000113.9
231S27.6Very low30.3Very low107 Ų107129.9 Ų129.975%0.74868%0.683SS**  cis-161.9173.425.262.90000114.3
232S26.8Very low30.4Very low99 Ų99128.8 Ų128.869%0.69268%0.679SS**  trans69.1147.8164.3-83.90000120
233Q27.7Very low30.2Very low154 Ų154127.1 Ų127.172%0.7267%0.673SS**  cis-166.8149.8-16-122.4178.32.700112.2
234Y26.4Very low30.2Very low185 Ų185127.1 Ų127.173%0.72567%0.671SS**  trans58.4127166.2-72.1-89.1000119.5
235F27.8Very low30.2Very low143 Ų143131.7 Ų131.763%0.62767%0.673SS**  69.3136.983.7-112.4-77.9000112.5
236M26.2Very low30.4Very low137 Ų137125.8 Ų125.868%0.67566%0.664SS**  cis-152126.527.3-161.1161-7400107.8
237E29.6Very low30.4Very low114 Ų114127 Ų12753%0.53367%0.667SS.*  78.6140.5105.8-171.6167.5-113.800117.9V142 Q146V142-E237 HydrophobicContact CG1-CB 4.24Å; V142-E237 HydrophobicContact CG1-CG 3.92Å; Q146-E237 VanDerWaalsContact NE2-C 3.29Å; Q146-E237 PolarHBondContact NE2-O 3.09Å; Q146-E237 VanDerWaalsContact OE1-C 3.24Å
238A29.5Very low29.7Very low35 Ų35130.3 Ų130.329%0.28967%0.669SS.*  trans139119.8143.300000115.5V142 Q146V142-A238 VanDerWaalsContact CG1-N 3.35Å; Q146-A238 VanDerWaalsContact CA-O 3.3Å; Q146-A238 WeakPolarHBondContact CA-O 3.44Å; Q146-A238 WeakPolarHBondContact CB-O 3.31Å; Q146-A238 WeakPolarHBondContact CG-O 3.34Å; Q146-A238 PolarHBondContact NE2-O 2.62Å
239Y29.3Very low29.6Very low153 Ų153130.3 Ų130.360%0.668%0.678SS**  trans42.4141.1132.7-56.8-69000121.1V145 F149V145-Y239 CarbonylContact O-C 3.52Å; F149-Y239 WeakPolarHBondContact CB-O 3.38Å
240N32.4Very low29.5Very low61 Ų61125.9 Ų125.933%0.32668%0.679SS.*  cis-159-17615.6-123.5-24.5000114.4V145 L148 F149V145-N240 PolarHBondContact O-N 2.98Å; V145-N240 VanDerWaalsContact O-N 3.11Å; V145-N240 VanDerWaalsContact O-O 3.1Å; L148-N240 VanDerWaalsContact CB-O 3.31Å; L148-N240 WeakPolarHBondContact CB-O 3.2Å; F149-N240 HydrophobicContact CD1-CB 3.86Å; F149-N240 HydrophobicContact CD2-CB 3.56Å; F149-N240 WeakPolarHBondContact CD2-O 3.24Å; F149-N240 HydrophobicContact CE1-CB 3.61Å; F149-N240 VanDerWaalsContact CE2-C 3.47Å; F149-N240 HydrophobicContact CE2-CB 3.35Å; F149-N240 HydrophobicContact CG-CB 3.85Å; F149-N240 VanDerWaalsContact CG-N 3.34Å; F149-N240 HydrophobicContact CZ-CB 3.37Å
241T31.3Very low29.4Very low71 Ų71132.2 Ų132.244%0.43669%0.687SS.*  trans-3.5162.4163.268.20000126.1F149F149-T241 VanDerWaalsContact CE2-OG1 3.22Å; F149-T241 WeakPolarHBondContact CE2-OG1 3.3Å
242I32.9Very low29.5Very low138 Ų138133 Ų13371%0.70869%0.692SS**  trans86113.6149.2-72.6153.3000119.9
243S29.1Very low29.8Very low110 Ų110134 Ų13477%0.76969%0.69SS**  158.2131.9114.7-167.40000110.5
244E34.4Very low29.9Very low164 Ų164134.1 Ų134.177%0.76670%0.695SS**  trans-76.6151.8166.2-64.4167.6108.100110.3
245H30.9Very low30.2Very low167 Ų167131 Ų13177%0.77369%0.691SS**  179116.6115.5-96.9-66.2000112.5
246T33.8Very low30.5Very low121 Ų121130.7 Ų130.774%0.74270%0.7SS**  trans-1.2122.5148.351.90000119.7
247V31.6Very low30.5Very low149 Ų149132.9 Ų132.990%0.90371%0.706SS**  -149.2161.2129-101.90000110
248K28.6Very low30.4Very low198 Ų198132.5 Ų132.586%0.86172%0.715SS**  trans-107.2175.7-167.7-60.8177.1-177.11760112.4
249S23.5Very low30.4Very low120 Ų120135.9 Ų135.984%0.83974%0.736SS**  trans78.2151.2174.4-57.60000115.8
250S29.1Very low30.4Very low113 Ų113134.8 Ų134.879%0.7975%0.746SS**  cis-132.4151.85.6-156.50000113.2
251R29.9Very low30.3Very low238 Ų238137.7 Ų137.790%0.89877%0.77SS**  trans-90.9131.8164.4-62170.691.41735.8107.7
252S28Very low30.3Very low122 Ų122138.7 Ų138.785%0.85379%0.785SS**  trans-124.7136.615454.60000107.8
253N33.8Very low30Very low122 Ų122140.1 Ų140.165%0.65279%0.794SS**  trans-156.3137.2-173.6-165.666.5000108.6D255N253-D255 PolarHBondContact ND2-OD2 3.46Å
254N29.4Very low30.3Very low155 Ų155142 Ų14283%0.82980%0.795SS**  trans176.4120.7154.3-88.4-25.5000106
255D32.8Very low30.5Very low120 Ų120139.7 Ų139.764%0.64279%0.794SS**  cis93.1116.736.2-82.7-65.2000116.3N253N253-D255 PolarHBondContact ND2-OD2 3.46Å
256V34.4Very low30.5Very low136 Ų136137.4 Ų137.482%0.82479%0.792SS**  trans-161.3139.9154.5-114.40000105.7
257K25.1Very low30.2Very low183 Ų183138.4 Ų138.480%0.79679%0.792SS**  cis-165.9144.516.7-168.9171.7-179.3179.30111.4
258C27.6Very low30.1Very low106 Ų106137.7 Ų137.772%0.71678%0.783SS**  trans37.7134.9161.7-66.70000121.1
259S29.4Very low30Very low106 Ų106134.7 Ų134.774%0.74178%0.776SS**  cis69.1143.548.4-500000114.1
260T30.5Very low30.2Very low131 Ų131134.3 Ų134.380%0.80477%0.774SS**  cis-130.7-153.41.1-21.10000108.9
261C30.4Very low30.3Very low122 Ų122137.4 Ų137.482%0.82478%0.775SS**  cis-139.3-164.417.5-60.20000110.6
262A30.5Very low30.4Very low91 Ų91132.6 Ų132.675%0.75277%0.767SS**  trans-146.9168.3178.200000113.2
263N26.8Very low30.4Very low168 Ų168134.7 Ų134.790%0.89877%0.765SS**  trans-163.8154.2153.8-98.1-45.5000111.2
264L34.8Very low30.2Very low150 Ų150137.3 Ų137.379%0.78577%0.771SS**  trans-136153.5-176.4-90.5167.7000109.6
265P38.9Very low30.3Very low115 Ų115138.9 Ų138.975%0.74777%0.77SS**  -136.9167.17824.7-0.7000113.2
266V31.9Very low30.1Very low120 Ų120137.5 Ų137.573%0.72777%0.77SS**  cis71.612344.7-179.40000111
267N26.5Very low29.9Very low141 Ų141136.7 Ų136.775%0.75477%0.77SS**  cis-156.7176.515.1-156.7-3.4000113.4
268L30.4Very low30.2Very low134 Ų134140.1 Ų140.170%0.70278%0.779SS**  trans101.3111.7137.4-139.470.6000123.1
269D26.3Very low30.3Very low136 Ų136140.6 Ų140.673%0.72778%0.783SS**  trans58.2143.1141.3-76-44.2000128.2
270S28.7Very low30.2Very low112 Ų112140.6 Ų140.678%0.78378%0.783SS**  trans99141139.772.90000121.5
271Q29.6Very low30.2Very low177 Ų177139.9 Ų139.983%0.82778%0.779SS**  trans-25.5158.1169.1-62.3169-1600116.9
272L31.7Very low30.3Very low137 Ų137141.9 Ų141.972%0.71778%0.78SS**  -174.4133.554.7-170.371.8000113.9
273M28.5Very low30.7Very low167 Ų167143.8 Ų143.882%0.82378%0.783SS**  trans55151.7148.9-68.8-74.117000124.6
274K30.5Very low30.8Very low176 Ų176142 Ų14277%0.76578%0.778SS**  trans98.8110.7135.6-138.8169.9-175.3176.80119.1
275K31.2Very low30.5Very low188 Ų188140.6 Ų140.682%0.81778%0.78SS**  trans49.5142.2136.6-61.7-172.1-179.5-167.30119.3
276S29.3Very low30.2Very low91 Ų91146.8 Ų146.864%0.63679%0.789SS**  cis-168.7164.24.135.10000111.8
277S29.1Very low30Very low119 Ų119146 Ų14683%0.83280%0.795SS**  trans18.1113.5152-48.30000119.2
278W31.8Very low30.2Very low256 Ų256150.9 Ų150.997%0.9780%0.803SS**  trans-104109.9157.9-78.731.7000109.1
279S29.3Very low30.3Very low115 Ų115152.9 Ų152.980%0.80481%0.808SS**  trans-88139.1165.4-175.60000109.3
280S27.1Very low30.5Very low107 Ų107152.8 Ų152.875%0.74881%0.812SS**  trans-143.797.5177.8-163.10000111.6
281T31.3Very low30.3Very low116 Ų116157.5 Ų157.571%0.71282%0.815SS**  trans-75.2131.9173-53.80000110.3
282L32Very low30.2Very low163 Ų163157.2 Ų157.285%0.85381%0.813SS**  trans-118.4103.3171.2-72.9178.9000111.3
283T39.4Very low29.9Very low131 Ų131160.1 Ų160.180%0.80482%0.82SS**  trans-85.6140.5178.4-45.80000111.4
284V28.6Very low29.9Very low132 Ų132156.4 Ų156.480%0.882%0.816SS**  trans-79.6131.4179.3175.80000111.5
285S27.7Very low29.7Very low119 Ų119152.5 Ų152.583%0.83281%0.811SS**  trans-168.9156.3140.5-95.30000116.4
286R32.7Very low29.6Very low246 Ų246150 Ų15093%0.92881%0.811SS**  trans-56138.8-176.7-69169.2158.684.4-1.9114.3
287A27.9Very low29.5Very low104 Ų104152.7 Ų152.786%0.8682%0.818SS**  trans-74.1152152.300000110.7
288R30.7Very low29.5Very low242 Ų242154.1 Ų154.191%0.91381%0.814SS**  trans-111.6162.3176.3-137-175.6-170.3-172.34.5110.7
289E32.4Very low29.2Very low176 Ų176147.4 Ų147.482%0.82280%0.797SS**  trans-73.8130.3-174.9-66.8144123.400113.6
290V30.5Very low29.2Very low134 Ų134149.3 Ų149.381%0.81279%0.793SS**  44.6105.7127.1-175.20000117.7
291Y25.4Very low29.4Very low212 Ų212150.4 Ų150.483%0.83180%0.795SS**  trans-50.8150.3152.2-87.3-107000110.5
292Q26.9Very low29.2Very low170 Ų170151.1 Ų151.179%0.79480%0.799SS**  -171.4155.457.6-140.215433.400111.7
293K26.1Very low29.1Very low198 Ų198149.4 Ų149.486%0.86180%0.795SS**  trans-79.3175154.7-61.4179.6176177.60108.1
294A28.1Very low28.5Very low90 Ų90152.6 Ų152.674%0.74480%0.798SS**  cis-166.4-169.522.700000107.8
295S27.3Very low28.5Very low94 Ų94149.9 Ų149.966%0.65779%0.789SS**  cis-176.1154.2-6.538.40000109.5
296V28.8Very low28.4Very low135 Ų135152.5 Ų152.582%0.81879%0.789SS**  trans59.3158.9161.5-62.10000117.2
297N26.9Very low28Very low148 Ų148146.8 Ų146.879%0.79178%0.781SS**  cis-144.4-174.914.7-151.7-10.8000112.8
298M28.2Very low27.9Very low149 Ų149147.3 Ų147.373%0.73478%0.777SS**  trans-65.5169.5170.5-68-15570.400112.4
299D27.1Very low27.6Very low115 Ų115144.1 Ų144.162%0.61577%0.773SS**  cis-155.3-167.430.6-143.4-45.2000114.2
300Q28.5Very low27.2Very low154 Ų154142.8 Ų142.872%0.7277%0.766SS**  trans-51.1146.3-178.1-64.3150.36300116
301T30Very low27Very low130 Ų130142.3 Ų142.380%0.79876%0.755SS**  176.2128.1105.131.60000115.3
302V27.7Very low27.3Very low132 Ų132142.3 Ų142.380%0.875%0.754SS**  trans18.8145.1143.9-143.30000123.5
303V29.3Very low27.2Very low126 Ų126138.6 Ų138.676%0.76475%0.746SS**  trans113.1137.3148.5-172.60000118.8
304K28.5Very low27.3Very low198 Ų198134.4 Ų134.486%0.86174%0.741SS**  trans-33.2172.9160.5-66.2178.3178.1-176.20117.8
305A28.2Very low27.3Very low75 Ų75137.7 Ų137.762%0.6274%0.741SS**  cis179.1167.4-27.400000109.2
306E25.4Very low27.3Very low175 Ų175141.4 Ų141.482%0.81874%0.742SS**  trans60.4141.2149.8-74.7-179.9135.200124.1
307T24.5Very low27.4Very low125 Ų125141.8 Ų141.877%0.76774%0.739SS**  trans63.7108.5147.950.90000123.6
308C25.9Very low27.4Very low115 Ų115142 Ų14278%0.77773%0.734SS**  66149.4109.8-143.20000122.8
309Q24.3Very low27.7Very low176 Ų176140.5 Ų140.582%0.82273%0.734SS**  trans65.3172.5170-61.3-1720.200117.2
310Q24.6Very low28.2Very low148 Ų148140.9 Ų140.969%0.69274%0.742SS**  -169.2140.2-56.5171.5167.7-21.300108.8
311E26.4Very low28.4Very low124 Ų124140.2 Ų140.258%0.57974%0.739SS**  trans68.7153.2162.9-91.8-174.3-167.200122.2
312R30.5Very low28.6Very low212 Ų212141.5 Ų141.580%0.874%0.741SS**  trans69.3152.8156.3-70.2163.4-148.3-130.50118.5
313S25.8Very low29.1Very low91 Ų91140.5 Ų140.564%0.63673%0.728SS**  cis-170.2130.3-2151.10000114.1
314C26.8Very low29.5Very low110 Ų110144.6 Ų144.674%0.74373%0.73SS**  trans60.8177133.3-510000122.9
315Q29.4Very low29.9Very low160 Ų160140.8 Ų140.875%0.74872%0.723SS**  trans71.1139.7173.3-9044.55100117.5
316Y25.7Very low29.9Very low171 Ų171140.6 Ų140.667%0.67173%0.728SS**  cis-166.1-176.6-12.5-156.5-121.3000114.1
317L31.3Very low30.2Very low144 Ų144141.8 Ų141.875%0.75473%0.727SS**  trans82.4141.9167.7-55.9168.6000118.4
318Q26.9Very low30.7Very low151 Ų151141.2 Ų141.271%0.70672%0.723SS**  cis-155.6160.1-37.4-168.8140.9-42.900109.8
319V34.8Very low31.5Very low119 Ų119142.2 Ų142.272%0.72173%0.728SS**  trans-82163.2-173.9-135.90000113.7
320P38.3Very low31.8Very low122 Ų122144.1 Ų144.179%0.79273%0.728SS**  -145.1-176.686.740-24000115
321Q33.1Very low32.2Very low141 Ų141140.4 Ų140.466%0.65973%0.73SS**  -160.4129.1-64.8177.3167.5-8.700111E323Q321-E323 PolarHBondContact NE2-OE1 2.95Å
322D33.5Very low32.5Very low157 Ų157142.1 Ų142.184%0.8474%0.735SS**  trans-174.2143.5165.7-89.6-35.3000106.8
323E37.5Very low32.6Very low110 Ų110137.1 Ų137.151%0.51472%0.724SS.*  cis78.5122.92.1-58.3-174.2-115.100116.4Q321Q321-E323 PolarHBondContact NE2-OE1 2.95Å
324W39Very low32.9Very low212 Ų212139.7 Ų139.780%0.80373%0.731SS**  cis-143.9-170.9-10.2-84.1115.6000108.5
325T35.4Very low33.2Very low119 Ų119143.2 Ų143.273%0.7374%0.736SS**  cis-155-168.312.4-27.80000108.7Y327T325-Y327 HydrophobicContact CG2-CD2 4.41Å; T325-Y327 HydrophobicContact CG2-CE2 4.29Å
326G29.3Very low33.7Very low70 Ų70142.6 Ų142.672%0.72274%0.737SS**  trans171.4-24.5161.900000123.3
327Y31.5Very low34.6Very low201 Ų201140.1 Ų140.179%0.78874%0.742SS**  trans56.3103.8171.5-81.1-85.3000122.6T325T325-Y327 HydrophobicContact CG2-CD2 4.41Å; T325-Y327 HydrophobicContact CG2-CE2 4.29Å
328T34.2Very low35Very low112 Ų112138.6 Ų138.669%0.68774%0.742SS**  56.7148.7125.364.20000123.2
329P44.1Very low35.4Very low137 Ų137143.2 Ų143.289%0.8975%0.753SS**  -125.5-174.188.738.7-33.3000114.6
330R30.8Very low35.6Very low215 Ų215148.7 Ų148.781%0.81176%0.761SS**  trans-143.4106.2-156.6174.5-170.4169.9-97.411.2115.8
331G32.5Very low35.2Very low71 Ų71150 Ų15073%0.73276%0.758SS**  trans64.3174.9137.900000122.2
332K33.1Very low35.4Very low159 Ų159153.6 Ų153.669%0.69177%0.766SS**  trans78.5141.3173.4-59.3-165.7145.7-680116.8
333D31.5Very low35.4Very low107 Ų107151.6 Ų151.657%0.57276%0.764SS**  cis-159.7174.3-9.6-99.2-17.4000110.3
334D32.4Very low35.2Very low145 Ų145150.2 Ų150.278%0.77578%0.78SS**  trans72.4108.3153.5-57.7-22.8000124.7
335E32Very low35.4Very low184 Ų184145.7 Ų145.786%0.8678%0.78SS**  75.6138.6126.9-157161.4-137.100123.1
336I41.3Very low35.2Very low147 Ų147149.6 Ų149.675%0.75478%0.783SS**  trans-120.8132.1177.9-55.6163.8000108.6
337P44.7Very low35.7Very low119 Ų119151.9 Ų151.977%0.77378%0.778SS**  trans-140.5126.5135.733.4-19.2000114.5
338C39.3Very low36.2Very low113 Ų113150 Ų15076%0.76477%0.774SS**  trans-70.4132.1163.4-50.70000110.6
339R35.6Very low36.5Very low248 Ų248149.7 Ų149.794%0.93678%0.782SS**  trans-174.5162.5148.3-110.9158.1-178.1-173.40.2115.7
340R38Very low36.6Very low233 Ų233148.9 Ų148.988%0.87977%0.768SS**  trans64.797.9167.1-112170.1175.4-127.91.5114.8
341M30Very low37.3Very low151 Ų151142.3 Ų142.374%0.74477%0.767SS**  57.3134.758.2-60-173.769.400116.2
342R37.4Very low37.5Very low215 Ų215144.3 Ų144.381%0.81176%0.761SS**  trans70.2102.3154.9-82.4-179.4169.4146.5-2.8118.7
343S34.6Very low37.9Very low115 Ų115143.4 Ų143.480%0.80476%0.764SS**  41119.111962.20000119.4
344G33.6Very low38.4Very low82 Ų82145.2 Ų145.285%0.84577%0.773SS**  trans173.4113.516100000112.9
345S41.9Very low38.6Very low117 Ų117143.2 Ų143.282%0.81877%0.771SS**  trans-93.9126.6175.8-53.80000111.4
346Y30.9Very low39Very low201 Ų201137.6 Ų137.679%0.78876%0.762SS**  trans-162.4109.1151.9-146.7-101.7000108.4
347I40.1Very low38.7Very low118 Ų118138.4 Ų138.461%0.60577%0.768SS**  88.4136.162.2-73171.1000113.5
348K41.6Very low38.2Very low162 Ų162138.1 Ų138.170%0.70477%0.769SS**  trans69.3107.9168.4-89.5178.7172.9-178.90119.7M350K348-M350 HydrophobicContact CD-SD 3.94Å; K348-M350 VanDerWaalsContact CE-SD 3.59Å; K348-M350 HydrophobicContact CG-SD 4.21Å
349A41.5Very low37.8Very low104 Ų104139.6 Ų139.686%0.8677%0.769SS**SBend-131.1107.7109.600000109.8
350M46.2Very low37.5Very low120 Ų120133.3 Ų133.359%0.59176%0.759SS**  trans2.9131.4166.6-51.9-53.1-62.800120.1K348 D352K348-M350 HydrophobicContact CD-SD 3.94Å; K348-M350 VanDerWaalsContact CE-SD 3.59Å; K348-M350 HydrophobicContact CG-SD 4.21Å; M350-D352 WeakPolarHBondContact CE-OD1 3.3Å; M350-D352 VanDerWaalsContact CE-OD2 3.24Å; M350-D352 WeakPolarHBondContact CE-OD2 3.47Å
351G44.5Very low37.6Very low78 Ų78127.1 Ų127.180%0.80475%0.751SS**  trans-173.649.7178.600000111.9
352D37.1Very low38Very low112 Ų112125.8 Ų125.860%0.59975%0.753SS**  trans-61.7152.9-174-48.5-25.8000111.8M350M350-D352 WeakPolarHBondContact CE-OD1 3.3Å; M350-D352 VanDerWaalsContact CE-OD2 3.24Å; M350-D352 WeakPolarHBondContact CE-OD2 3.47Å
353D42.3Very low38.2Very low141 Ų141124.7 Ų124.775%0.75476%0.755SS**  cis-158.3157.23.9-125.2-25.3000111.3
354D40.8Very low38.4Very low144 Ų144124.8 Ų124.877%0.7775%0.753SS**  trans49.2146161-93.7-11.8000122.1
355S37.5Very low38.2Very low103 Ų103126.1 Ų126.172%0.7275%0.749SS**  cis-173.5137-21.4-123.30000110.5
356G39.8Very low38.1Very low66 Ų66126.7 Ų126.768%0.6875%0.75SS**  trans62134159.900000119.5
357D35.8Very low38.2Very low164 Ų164126.3 Ų126.388%0.87775%0.752SS**  cis-147.8142.7-5.1-78.4-50.2000110.1
358S34.1Very low37.8Very low113 Ų113129 Ų12979%0.7977%0.766SS**  trans-116.2162.8155.8-48.80000106.3
359D31.5Very low37.2Very low144 Ų144125.6 Ų125.677%0.7777%0.768SS**  cis-164.9-16017.1-153.6-34.1000109
360T29.2Very low36.7Very low117 Ų117125.3 Ų125.372%0.71877%0.766SS**  trans76.396.1158.763.70000118.9
361S40.3Very low36.2Very low102 Ų102131.2 Ų131.271%0.71378%0.782SS**  trans-57.9152.9142.11750000111.1
362P36.9Very low35.8Very low123 Ų123138.3 Ų138.380%0.79978%0.784SS**  -127157.511735.5-30.1000115.1
363K41.9Very low35.6Very low193 Ų193141.2 Ų141.284%0.83979%0.794SS**  trans-69.6159.7176.1-68.1166.3-176.1170.90110.5
364P39.1Very low35.1Very low117 Ų117140.1 Ų140.176%0.7680%0.798SS**  cis-153.6173.548.243.2-21.8000120.6
365S29.5Very low34.9Very low110 Ų110141.9 Ų141.977%0.76979%0.794SS**  trans1.7145.9138.6-550000119.1
366P38.8Very low34.8Very low128 Ų128144.4 Ų144.483%0.83180%0.799SS**  -142.2175.952.540.4-22000118.8
367K34.2Very low34.4Very low193 Ų193151.3 Ų151.384%0.83981%0.81SS**  trans-80.6155174.9-46.7159.9-176.7172.50110.2
368I30.7Very low34.4Very low174 Ų174148.1 Ų148.189%0.89281%0.807SS**  -170.2161.4113.2-100.1161.4000112.4
369A30.3Very low34.2Very low91 Ų91149.1 Ų149.175%0.75281%0.808SS**  trans-43.6145-167.700000119.8
370A30.8Very low34.2Very low98 Ų98150.7 Ų150.781%0.8181%0.811SS**  -136.2120.1125.600000109.4
371R34.9Very low34.8Very low245 Ų245150.6 Ų150.693%0.92581%0.812SS**  trans-141.569.6168.1-168-176-178.6176.71.5109.9
372R36.7Very low34.3Very low226 Ų226151 Ų15185%0.85382%0.816SS**  trans-177.5141.4173.5-102162.2-179.3153-1.9104.6
373E32.6Very low34.4Very low173 Ų173153.3 Ų153.381%0.80882%0.82SS**  cis-106.1159-3.7-68.981.4-12300113.4
374S32.8Very low34.2Very low119 Ų119149.8 Ų149.883%0.83282%0.815SS**  trans-144.954.9170.81750000109.2
375Y36.4Very low33.9Very low180 Ų180152.7 Ų152.771%0.70682%0.818SS**  trans-131.3161.1178.6-101.2-105.9000109.7
376L33.7Very low34.2Very low156 Ų156156 Ų15682%0.81783%0.827SS**  trans74.547.6175-51.7-179.7000119.1
377K31.9Very low33.9Very low211 Ų211155.1 Ų155.192%0.91782%0.819SS**  trans-145.381.6150.4-77.3-55177.3-1690113.4
378A35.1Very low33.7Very low98 Ų98151.4 Ų151.481%0.8181%0.813SS**  trans-156.432171.300000115.5
379T31.2Very low33.7Very low133 Ų133150.6 Ų150.682%0.81681%0.809SS**  trans-141.8112.8177.518.20000114
380Q30.7Very low33.5Very low177 Ų177155.4 Ų155.483%0.82781%0.813SS**  trans133.4129.6148.4-70.9-59.3-16.700112.8
381P41.8Very low33.4Very low115 Ų115159 Ų15975%0.74782%0.817SS**  trans-98.8152.4-169.137.9-33.9000114.1
382S30.1Very low33.1Very low112 Ų112152.1 Ų152.178%0.78381%0.807SS**  trans-99.2127.116354.30000110.5
383L39.4Very low32.7Very low170 Ų170146.2 Ų146.289%0.8980%0.8SS**  trans-102.583.2-167.7-160.4170.3000111.7
384T37.6Very low32.6Very low119 Ų119144.5 Ų144.573%0.7379%0.792SS**  trans-151106.9173.549.70000112.3
385E33.1Very low32.5Very low178 Ų178146.5 Ų146.583%0.83279%0.788SS**  176.3124.6115.6-97.7-172.9-16100111.7
386L35Very low32Very low180 Ų180143.5 Ų143.594%0.94279%0.793SS**  trans-108.599.8171-98166.4000108.6
387T32.5Very low32.2Very low109 Ų109141.5 Ų141.567%0.66979%0.789SS**  trans-129.691.7-179.9-49.70000112.1
388T30.8Very low32Very low115 Ų115140.2 Ų140.271%0.70678%0.784SS**  trans-8.2139.9141.2560000115.9
389L29.5Very low31.8Very low158 Ų158144.1 Ų144.183%0.82779%0.79SS**  cis-141.1176.113.7-61.9170.6000107.5
390K27.2Very low31.8Very low191 Ų191146.4 Ų146.483%0.8379%0.792SS**  cis-171.513138-164.3-177-170.8-176.60109.2
391I29.1Very low31.7Very low174 Ų174145.8 Ų145.889%0.89279%0.792SS**  trans-116141.3172.4-61.7176.7000109
392S27.3Very low31.2Very low101 Ų101150.9 Ų150.971%0.70680%0.797SS**  trans-143.7122171.554.50000109.5
393S29.6Very low31.1Very low101 Ų101150.9 Ų150.971%0.70680%0.796SS**  trans54.9127161.6-80.80000117.9
394E29.3Very low30.7Very low138 Ų138151 Ų15165%0.64579%0.792SS**  cis-145.8171.817.7-70.6-67.9133.500111.5
395H30.9Very low30.3Very low160 Ų160150.1 Ų150.174%0.74179%0.791SS**  trans47.3102.4154.5-44.1-33.1000121.2
396S25.7Very low30.1Very low118 Ų118152.9 Ų152.983%0.82580%0.795SS**  167157.3111.8-76.70000113.6
397P38.6Very low29.9Very low113 Ų113153.1 Ų153.173%0.73480%0.797SS**  trans-105.7145.8-16838.3-32.4000116.3
398K27.8Very low29.7Very low185 Ų185159.6 Ų159.680%0.80481%0.809SS**  trans43.1105.5143.5-60-179.6179.9-178.40119.2
399L30.7Very low29.6Very low179 Ų179158.7 Ų158.794%0.93781%0.813SS**  -125.7135.6129.7-75.2177.5000108.9
400Q30.5Very low29.6Very low182 Ų182158.2 Ų158.285%0.8582%0.816SS**  trans-105.6115.2175.4-67.5177.5-95.100108.6
401I30.1Very low29.6Very low164 Ų164154.8 Ų154.884%0.84182%0.816SS**  trans-92.6131.2165.6-63.7-179.3000108.1
402R30.7Very low29.5Very low222 Ų222155.7 Ų155.784%0.83882%0.817SS**  trans-118.886.1-168.3-179.7-161.1175106.2-2.3110.3H404R402-H404 PolarHBondContact O-N 3.01Å
403S27.5Very low29.5Very low111 Ų111157.3 Ų157.378%0.77682%0.822SS**  trans-89.673.8174.141.40000111.7
404H32.4Very low29.4Very low172 Ų172157.6 Ų157.680%0.79682%0.824SS**  trans-142.682.5175.9-95.1-49.5000112.8R402R402-H404 PolarHBondContact O-N 3.01Å
405S29.2Very low29.4Very low102 Ų102158.2 Ų158.271%0.71383%0.83SS**  trans-165.5102.3160520000110.3
406Y27.6Very low29.2Very low235 Ų235157.3 Ų157.392%0.92283%0.831SS**  trans170.293.5143.9-92.2-58.3000108.9
407L31.2Very low29.5Very low185 Ų185163 Ų16397%0.96984%0.835SS**  trans170.481.2151.9-92.8-168.3000108.4
408R28.6Very low29Very low246 Ų246162.1 Ų162.193%0.92883%0.831SS**  trans-150.186.8167.2179.2-166.5-85.5174-7.6108.6
409A28.3Very low29Very low96 Ų96160.4 Ų160.479%0.79383%0.829SS**  trans-160.936.3176.900000115.5
410V28.6Very low28.8Very low147 Ų147158.4 Ų158.489%0.89182%0.82SS**  trans-149.188.4160.2-163.10000111.6
411S27.2Very low28.6Very low119 Ų119154.1 Ų154.183%0.83281%0.81SS**  trans-175.281155.960.70000112.9
412E28.8Very low28.6Very low193 Ų193154.1 Ų154.190%0.90281%0.811SS**  trans-132.5128153.3-74.6-161.1171.300109.8
413V27.4Very low28.8Very low136 Ų136150.3 Ų150.382%0.82481%0.807SS**  trans173.5146.5145.5146.20000109.4
414S26.7Very low29.5Very low107 Ų107150.1 Ų150.175%0.74880%0.803SS**  trans65.170.8167.258.60000119.8
415I28.1Very low29.3Very low150 Ų150146.7 Ų146.777%0.76980%0.804SS**  trans-27.8156.2141.8-20.4175.6000116.5
416N27.8Very low29.1Very low141 Ų141145.3 Ų145.375%0.75481%0.807SS**  trans97.490.3150.8-62-46.9000121.8
417R32.3Very low29.3Very low239 Ų239141.8 Ų141.890%0.90280%0.803SS**  -176.1114121.3-99.5175.5-175.8-112.42.4107.8
418S27.1Very low29.2Very low93 Ų93140.6 Ų140.665%0.6580%0.797SS**  cis86.593.341.183.30000114.9
419L27.6Very low29.2Very low149 Ų149135.4 Ų135.478%0.7879%0.792SS**  trans58.1136.2150.1-90.169.5000121.7
420D27.4Very low29.1Very low138 Ų138135.3 Ų135.374%0.73879%0.786SS**  trans70.5148.4137.9-64.59000119.7
421S25.3Very low29.3Very low92 Ų92134.2 Ų134.264%0.64378%0.782SS**  cis-158.2168.65-137.20000113.9
422L32Very low29.6Very low164 Ų164137.5 Ų137.586%0.85978%0.781SS**  trans66.3106.1156.2-61.5174.5000121.7
423D33.7Very low29.7Very low142 Ų142138.4 Ų138.476%0.75978%0.782SS**  trans-67.1160.1131.7-160.151.1000108.1
424P43.4Very low30.1Very low106 Ų106143.1 Ų143.169%0.68879%0.786SS**  cis-154.417440.145.2-23.2000121.7
425A26.4Very low30.6Very low100 Ų100143.1 Ų143.183%0.82679%0.785SS**  trans65.8122.9145.400000121.1
426G26.3Very low31.1Very low74 Ų74147.1 Ų147.176%0.76379%0.791SS**  trans-167.184172.200000116.1
427L30.6Very low31.6Very low161 Ų161146.2 Ų146.284%0.84379%0.786SS**  trans63.994.3156.4-53.7-179.9000120.2
428L30.3Very low32.1Very low159 Ų159142.7 Ų142.783%0.83278%0.78SS**  26121.1117.1-56.3171.8000119.2
429T28.8Very low32.8Very low137 Ų137142 Ų14284%0.8478%0.775SS**  173.2138.8111.1-71.20000110.8
430S26Very low33.6Very low94 Ų94142.6 Ų142.666%0.65777%0.768SS**  trans-102149.3172.7-168.80000110.5
431P33.3Very low34.5Very low124 Ų124143.3 Ų143.381%0.80577%0.769SS**  -140163.4105.435.1-21.2000115.1
432K33.2Very low35.7Very low188 Ų188148.5 Ų148.582%0.81777%0.774SS**  trans-83.1142.9-175.4-54.5164.6-175.6173.10111.6
433F30.1Very low36.4Very low212 Ų212143.9 Ų143.993%0.9376%0.76SS**  trans-134.2163.6154.2-113.2-88.9000112.1
434R36.7Very low36.6Very low236 Ų236142.3 Ų142.389%0.89175%0.749SS**  trans-85.2162.9-156.6-67.7-171.4176.2-158.90.2115.3
435S36Very low36.5Very low106 Ų106142 Ų14274%0.74175%0.749SS**  trans-66.1139.1-177.344.60000114.2N437S435-N437 PolarHBondContact O-N 2.97Å
436R39.8Very low37.5Very low235 Ų235143.2 Ų143.289%0.88775%0.747SS**THydrogen-bonded Turntrans-7741.7-178.3-162.3-175.2-173.6172.81.8113.2
437N37.8Very low38.4Very low122 Ų122146.1 Ų146.165%0.65274%0.743SS**THydrogen-bonded Turntrans-110-16.7-167.3-152.821.6000115.6S435S435-N437 PolarHBondContact O-N 2.97Å
438E43Very low38.8Very low164 Ų164143.5 Ų143.577%0.76674%0.739SS**THydrogen-bonded Turntrans-87.6-16.9178.4-81.2-172.4104.100114.5
439S41.3Very low39.3Very low79 Ų79144.7 Ų144.755%0.55274%0.74SS**THydrogen-bonded Turntrans-76.4-30.9-179.252.50000113.5R442S439-R442 PolarHBondContact O-N 3.31Å
440Y43.7Very low39.6Very low162 Ų162145.1 Ų145.164%0.63574%0.742SS**Hα-helixtrans-70.1-43.8-172-166.7-108.2000112.7R442 A443 M444Y440-R442 PolarHBondContact O-N 3.17Å; Y440-A443 PolarHBondContact O-N 3.18Å; Y440-M444 HydrophobicContact CE1-CG 4.45Å
441M46.8Very low40.3Very low153 Ų153144.8 Ų144.875%0.75474%0.74SS**Hα-helixtrans-67-19.9179.8-62.7-157.3-59.300113.9
442R50.2Low40.9Very low200 Ų200148.6 Ų148.676%0.75575%0.747SS**Hα-helixtrans-83.2-30.4178.7-161.6172-63.6174.93.9112.9S439 Y440S439-R442 PolarHBondContact O-N 3.31Å; Y440-R442 PolarHBondContact O-N 3.17Å
443A46.5Very low41.8Very low67 Ų67147.4 Ų147.455%0.55475%0.746SS**Hα-helixtrans-74.7-33.4178.800000113.1Y440 S445Y440-A443 PolarHBondContact O-N 3.18Å; A443-S445 PolarHBondContact O-N 2.96Å
444M38.2Very low42.7Very low109 Ų109145.5 Ų145.554%0.53774%0.74SS.*THydrogen-bonded Turntrans-69.9-12.9-179.2-70-64.3-6800114.4Y440Y440-M444 HydrophobicContact CE1-CG 4.45Å
445S41.8Very low43.4Very low100 Ų100141.3 Ų141.370%0.69974%0.74SS**THydrogen-bonded Turntrans-82.7-14.1-170.7-155.20000114.8A443A443-S445 PolarHBondContact O-N 2.96Å
446T46.5Very low43.9Very low126 Ų126143.3 Ų143.377%0.77374%0.743SS**SBendtrans-109.1-6.4-175.951.40000114.8
447I44.8Very low44.3Very low134 Ų134135.2 Ų135.269%0.68773%0.732SS**SBendtrans-101.52.8-176.7-155.3161.7000113.6Q449I447-Q449 PolarHBondContact O-N 3.31Å
448S41Very low44.5Very low107 Ų107136.7 Ų136.775%0.74874%0.735SS**THydrogen-bonded Turntrans-95.926.9-178.3-156.10000113.8
449Q40.7Very low44.5Very low184 Ų184137 Ų13786%0.8673%0.734SS**THydrogen-bonded Turntrans-137.98.5-178.5-73.1-162.2-12.200115.8I447I447-Q449 PolarHBondContact O-N 3.31Å
450V34.5Very low44.8Very low146 Ų146140.5 Ų140.589%0.88574%0.742SS**SBendtrans-131.797.9169.5-174.60000108.7
451S40.5Very low44.9Very low86 Ų86135.6 Ų135.660%0.60173%0.731SS**  trans-106.1129.4-171.757.20000112.9M453S451-M453 VanDerWaalsContact C-N 3.27Å; S451-M453 PolarHBondContact O-N 3.41Å
452E45.3Very low44.8Very low204 Ų204132.7 Ų132.795%0.95372%0.722SS**SBendtrans42.529.7131.5-54.5-173.3138.800119.9
453M51.8Low44.4Very low164 Ų164126.8 Ų126.881%0.80871%0.71SS**SBendtrans-104.4-26.9-176.7-16666.873.700114.5S451S451-M453 VanDerWaalsContact C-N 3.27Å; S451-M453 PolarHBondContact O-N 3.41Å
454E50.3Low44.4Very low172 Ų172130.6 Ų130.680%0.80472%0.717SS**SBendtrans-113.6-7.1-166.1-70.8-177.3128.100115.9
455V50.2Low44.6Very low147 Ų147129.6 Ų129.689%0.89172%0.72SS**SBendtrans-109.741-177.2-158.60000112.5
456N46.3Very low44.7Very low149 Ų149129.8 Ų129.880%0.79772%0.717SS**SBendtrans-142.1-15.6170.2-13927.7000114.4
457G49.1Very low44.4Very low64 Ų64131.9 Ų131.966%0.6672%0.716SS**SBendtrans-90.42.4-177.700000116.2
458Q41.9Very low44.2Very low153 Ų153129.7 Ų129.772%0.71571%0.713SS**SBendtrans-124.62.5-166.2-154.1165.48.200114.8V462Q458-V462 WeakPolarHBondContact O-CG2 3.49Å
459F43.1Very low44.2Very low170 Ų170132.9 Ų132.975%0.74672%0.715SS**SBendtrans-94.4-34.3169.1-169.3-106.5000111.9
460E47.6Very low44.5Very low154 Ų154131.7 Ų131.772%0.7271%0.714SS**Hα-helixtrans-69.2-44.7-176.7-157.7158.5-139.600112V462 C463 E464E460-V462 VanDerWaalsContact C-N 3.28Å; E460-V462 PolarHBondContact O-N 2.92Å; E460-C463 PolarHBondContact O-N 2.93Å; E460-E464 PolarHBondContact O-N 3.25Å
461S44.9Very low44.8Very low58 Ų58133.4 Ų133.441%0.40671%0.712SS.*Hα-helixtrans-66.7-22.8179.858.70000114.8S465S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 3.31Å; S461-S465 VanDerWaalsContact O-N 3.17Å
462V45.7Very low44.8Very low93 Ų93134.1 Ų134.156%0.56472%0.718SS**Hα-helixtrans-78.4-28.7176.8-179.60000111.4Q458 E460Q458-V462 WeakPolarHBondContact O-CG2 3.49Å; E460-V462 VanDerWaalsContact C-N 3.28Å; E460-V462 PolarHBondContact O-N 2.92Å
463C41.7Very low44.5Very low75 Ų75134 Ų13451%0.50772%0.717SS.*Hα-helixtrans-76.1-37.3172.1-70.60000111.9E460E460-C463 PolarHBondContact O-N 2.93Å
464E46.9Very low43.7Very low148 Ų148130.7 Ų130.769%0.69272%0.716SS**Hα-helixtrans-69.3-38.7-179.7-160.8167.6-145.100112.2E460 V466E460-E464 PolarHBondContact O-N 3.25Å; E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.34Å
465S41.7Very low42.9Very low87 Ų87128.9 Ų128.961%0.60872%0.716SS**Hα-helixtrans-70.9-13.4-176.3-1690000115.8S461S461-S465 WeakPolarHBondContact O-CB 3.46Å; S461-S465 PolarHBondContact O-N 3.31Å; S461-S465 VanDerWaalsContact O-N 3.17Å
466V44.6Very low42.1Very low105 Ų105128.3 Ų128.364%0.63670%0.704SS**Hα-helixtrans-101.1-17.8-175.3-178.10000112.7E464E464-V466 VanDerWaalsContact C-N 3.3Å; E464-V466 PolarHBondContact O-N 3.34Å
467F40.5Very low41.4Very low169 Ų169123.6 Ų123.674%0.74169%0.686SS**Hα-helixtrans-95.4-20.1174.6-78.4-83000113.5E469F467-E469 PolarHBondContact O-N 2.83Å
468S40.4Very low40.7Very low89 Ų89127.3 Ų127.362%0.62269%0.69SS**THydrogen-bonded Turntrans-72-10179.9-166.60000114.9
469E40.3Very low40.1Very low173 Ų173126.6 Ų126.681%0.80869%0.691SS**THydrogen-bonded Turntrans-92.2-8.5-177.3-163.5165.8-151.700113.4F467F467-E469 PolarHBondContact O-N 2.83Å
470L46.5Very low39.8Very low160 Ų160125.1 Ų125.184%0.83869%0.69SS**SBendtrans-100.5-4.4-177.1-166.155.8000114.5
471E40.8Very low39.6Very low181 Ų181123.7 Ų123.785%0.84669%0.694SS**SBendtrans-117.147.2178.7-159.7172.4-163.100111.5
472S41.1Very low39.6Very low102 Ų102128.4 Ų128.471%0.71371%0.712SS**  trans-148.443.2-178.4-72.90000114
473Q39.3Very low39.4Very low200 Ų200130.1 Ų130.194%0.93572%0.724SS**SBendtrans-144.643.8168-152.4171.59.600114.7
474A33.8Very low38.8Very low95 Ų95129.4 Ų129.479%0.78573%0.73SS**  trans-165.8134.1163.100000107.4
475V33.8Very low37.9Very low134 Ų134127.9 Ų127.981%0.81273%0.734SS**  cis-137.9142.97.8-179.50000109.2
476E34.7Very low37.3Very low135 Ų135132.7 Ų132.763%0.63175%0.745SS**  trans-135.4165.3164.3-162167.5152.600108.5T958E476-T958 VanDerWaalsContact OE1-CB 3.26Å; E476-T958 WeakPolarHBondContact OE1-CB 3.26Å; E476-T958 PolarHBondContact OE1-OG1 3.04Å; E476-T958 WeakPolarHBondContact OE2-CG2 3.42Å
477A29.9Very low36.7Very low50 Ų50137.7 Ų137.741%0.41375%0.752SS.*  trans70.3124-153.200000112.9
478L34.9Very low36.2Very low142 Ų142135.7 Ų135.774%0.74375%0.747SS**  cis71.5142.731.8-49.9176.6000112.6
479D29.8Very low36Very low138 Ų138141.2 Ų141.274%0.73875%0.754SS**  cis-148.3-175.8-24-1646.9000109.8
480L36.8Very low35.6Very low139 Ų139137.9 Ų137.973%0.72875%0.749SS**  trans-57.2163.7179.6-74.5169.7000115.5
481P43.6Very low35.1Very low125 Ų125139.1 Ų139.181%0.81275%0.751SS**  cis-151174.943.841.7-19.2000121.4
482M43.9Very low35.2Very low157 Ų157134.8 Ų134.877%0.77374%0.74SS**  trans-84.2154.5176.2-78.1-75.6-65.300113.7
483P42Very low34.6Very low128 Ų128140.5 Ų140.583%0.83175%0.748SS**  -152.5168.988.539.2-20.6000116.8
484G28.6Very low34.5Very low61 Ų61136.1 Ų136.163%0.62973%0.734SS**  trans-171.5-10.217900000126.6
485C30Very low35Very low115 Ų115143.2 Ų143.278%0.77774%0.741SS**  trans56.1163.8161-65.30000124.1
486F28.1Very low35.1Very low188 Ų188140.7 Ų140.783%0.82573%0.734SS**  trans71.4132.4174.1-59.2-87.3000117.5
487R31.5Very low35.2Very low210 Ų210142.2 Ų142.279%0.79275%0.745SS**  cis73.7139.446.3-75.7-167.5176.8-144.97.9113
488M30.8Very low35.6Very low127 Ų127147.3 Ų147.363%0.62676%0.76SS**  cis-161.9165.510-140.5169.645.400114.1
489R35.3Very low35.6Very low206 Ų206150.2 Ų150.278%0.77777%0.767SS**  trans29.1110.6143.6-86.1179.2174.1163.2-3.2121.8
490S33Very low35.6Very low102 Ų102147 Ų14771%0.71377%0.766SS**  51.4133.6117.368.60000123.9
491H35.5Very low35.3Very low187 Ų187146.7 Ų146.787%0.86677%0.774SS**  trans98.3154.2143.6-123.163.3000119.4
492S43.7Very low34.8Very low89 Ų89145.5 Ų145.562%0.62277%0.769SS**  trans-73.6139.3-160.6520000115.8
493Y28.5Very low34.2Very low223 Ų223145.9 Ų145.988%0.87577%0.769SS**  trans-159.5179.6138.8-133.5-101.2000111.2
494V36Very low33.7Very low108 Ų108146 Ų14666%0.65576%0.763SS**  trans65.380.3172.3-159.50000116.7
495R43.6Very low34Very low244 Ų244150.2 Ų150.292%0.92177%0.77SS**  -97.1162.7116-82.1-164.4-68.8-1190.6108
496A36.8Very low34.3Very low81 Ų81154 Ų15467%0.66978%0.777SS**  trans67.390.8-174.900000115.1
497I37Very low34.3Very low166 Ų166150.9 Ų150.985%0.85178%0.777SS**  -118.8119.5116.9-61.9-178.3000105.7
498E37.9Very low34.2Very low158 Ų158148.9 Ų148.974%0.73878%0.78SS**  trans-105.1151.9168.6-70.1-173.295.400109.2
499K35.4Very low34Very low203 Ų203147 Ų14788%0.88378%0.779SS**  trans60.8121.2154.9-57.9-106.4-178.6177.10118.4
500G30.1Very low33.8Very low71 Ų71144.7 Ų144.773%0.73278%0.781SS**  trans164.7113.5152.200000115.7
501C30.3Very low33.5Very low132 Ų132151 Ų15189%0.89279%0.79SS**  trans64.3152.7159.9-55.20000117.7
502S32.9Very low33.1Very low100 Ų100147.1 Ų147.170%0.69978%0.784SS**  cis-162.5130.4-19.143.90000106.8
503Q30.8Very low32.3Very low164 Ų164148.6 Ų148.677%0.76679%0.794SS**  60.8110.6101.2-160.7-159.9-56.500114.6
504D31.2Very low32.4Very low132 Ų132143.2 Ų143.271%0.70679%0.789SS**  177.7170.2125.3-84-18.3000110
505D35.1Very low32.9Very low148 Ų148143.8 Ų143.879%0.79180%0.795SS**  trans-93.9158.4-156.6-60.1-88.8000117.2
506E36.3Very low32.4Very low195 Ų195138.2 Ų138.291%0.91179%0.79SS**  -177.1160.5106.2-95.4-16214600112.8
507C28.4Very low32Very low122 Ų122146 Ų14682%0.82480%0.802SS**  trans-147.1124-172.8176.60000113.2
508I29.6Very low31.6Very low169 Ų169145.1 Ų145.187%0.86781%0.805SS**  trans-169.7147.2169.6-97.4140.4000107.6
509S26.8Very low31.2Very low86 Ų86143.5 Ų143.560%0.60181%0.806SS**  cis-170136.9-26.4-173.90000108.7
510L31.2Very low31Very low158 Ų158138.9 Ų138.983%0.82780%0.795SS**  trans44.5130.2158.2-58.9168.5000118.9
511R26.5Very low30.9Very low234 Ų234141.7 Ų141.788%0.88380%0.798SS**  -177.7141.756.5-144.2-177.1-168-160.54.5113.1
512S27.2Very low30.8Very low106 Ų106140.1 Ų140.174%0.74178%0.784SS**  trans41.8144.2141.1-158.60000124.5
513S27.7Very low30.7Very low120 Ų120145.3 Ų145.384%0.83979%0.789SS**  trans106.1150.2145.977.90000119.2
514S30.3Very low30.6Very low110 Ų110143 Ų14377%0.76979%0.786SS**  trans-112.6172-16454.60000111.7
515P45.3Very low30.5Very low120 Ų120143.4 Ų143.478%0.77979%0.786SS**PPolyproline II helixtrans-85.8150.5-150.333.1-36.6000115.4
516P33Very low30Very low127 Ų127144.3 Ų144.383%0.82579%0.786SS**PPolyproline II helixtrans-83.5148170.234-33.7000112.8
517R29.5Very low29.6Very low245 Ų245139.8 Ų139.893%0.92578%0.776SS**PPolyproline II helixtrans-77.9152.7163.9-71.2166.9158.9155.5-9.9110.6
518T29.1Very low29.6Very low148 Ų148138.8 Ų138.891%0.90877%0.77SS**  trans-121.8150.6148.7480000109.1
519T29.2Very low29.6Very low123 Ų123137.7 Ų137.776%0.75577%0.771SS**  trans-125.3129.6-166.1-163.20000114.1
520T30.1Very low29.7Very low106 Ų106140 Ų14065%0.6578%0.781SS**  trans30.5114.5130.2-37.80000121V522T520-V522 HydrophobicContact CG2-CG2 3.84Å
521T28.2Very low29.5Very low130 Ų130137.7 Ų137.780%0.79878%0.779SS**  -172.3127.8128.132.30000107.5
522V28.5Very low29.7Very low100 Ų100132.6 Ų132.661%0.60678%0.779SS**  cis86.485.611.4-164.30000117.4T520T520-V522 HydrophobicContact CG2-CG2 3.84Å
523R31.2Very low29.7Very low209 Ų209132.7 Ų132.779%0.78978%0.778SS**  -172.6140.6120.9-90158.2-164.691.5-10.5107.5
524T27.6Very low29.7Very low115 Ų115134 Ų13471%0.70678%0.775SS**  cis66.6137.749.1-19.30000111
525I29.1Very low29.7Very low140 Ų140133.6 Ų133.672%0.71877%0.768SS**  cis-158.6-179.830.2-23167.5000111.5
526Q25.8Very low28.8Very low167 Ų167134.8 Ų134.878%0.7877%0.773SS**  trans76.8149.4155.5-71.4-175.142.800119
527S27.2Very low28.7Very low100 Ų100138.6 Ų138.670%0.69977%0.772SS**  cis-156.9176.1-6.7-113.60000113.3
528S28.3Very low28.8Very low101 Ų101136.7 Ų136.771%0.70677%0.771SS**  trans-74162.817955.60000115.6
529T29.2Very low29Very low146 Ų146138.9 Ų138.990%0.89677%0.768SS**  -170.2157.7120.918.20000114.3
530V30.1Very low29.6Very low134 Ų134138.7 Ų138.781%0.81277%0.766SS**  trans-77147.3179.7-173.20000111.4
531S25.9Very low30.4Very low111 Ų111139 Ų13978%0.77677%0.77SS**  trans170.5144.9133.1-800000114.8
532S31.2Very low31.2Very low126 Ų126138 Ų13888%0.88177%0.766SS**  trans-92.5119.3169.9-54.80000111.1
533C26.6Very low31.7Very low108 Ų108139.2 Ų139.273%0.7378%0.776SS**  trans-166.5144153.6570000115
534I28.6Very low32.2Very low148 Ų148135.5 Ų135.576%0.75978%0.776SS**  trans62112.5137.8-66.8171000119.7
535T29.1Very low32.9Very low102 Ų102134.9 Ų134.963%0.62677%0.774SS**  trans46.5110.6134.4-48.50000119.5Y537T535-Y537 HydrophobicContact CG2-CD2 3.85Å; T535-Y537 HydrophobicContact CG2-CE2 4.36Å; T535-Y537 PolarHBondContact O-N 3.06Å
536T28.4Very low33.3Very low144 Ų144134 Ų13488%0.88378%0.777SS**  trans-65.476.7156.938.40000111.9K538T536-K538 PolarHBondContact O-N 3.38Å
537Y31Very low33.9Very low207 Ų207137.2 Ų137.281%0.81278%0.782SS**  trans-59111.4161.9-110.3-84.2000107.9T535 K539T535-Y537 HydrophobicContact CG2-CD2 3.85Å; T535-Y537 HydrophobicContact CG2-CE2 4.36Å; T535-Y537 PolarHBondContact O-N 3.06Å; Y537-K539 PolarHBondContact O-N 3.1Å
538K31Very low34.1Very low205 Ų205138.6 Ų138.689%0.89179%0.787SS**  trans-75.173.3-176.3-155-175.5-172.4-173.40110.5T536 T540T536-K538 PolarHBondContact O-N 3.38Å; K538-T540 PolarHBondContact O-N 3.27Å; K538-T540 VanDerWaalsContact O-N 3.13Å
539K32.3Very low34.5Very low195 Ų195139.7 Ų139.785%0.84879%0.789SS**  trans-65.3109.2173.9-171.4173.1-175.5176.30108.4Y537Y537-K539 PolarHBondContact O-N 3.1Å
540T43.2Very low34.8Very low118 Ų118139.4 Ų139.472%0.72479%0.788SS**PPolyproline II helixtrans-58139.3174.631.30000110.4K538K538-T540 PolarHBondContact O-N 3.27Å; K538-T540 VanDerWaalsContact O-N 3.13Å
541P46.6Very low35.6Very low113 Ų113141.6 Ų141.673%0.73479%0.786SS**PPolyproline II helixtrans-66.1145174.728.8-34.1000109.9
542P43.9Very low36.4Very low108 Ų108142.4 Ų142.470%0.70179%0.789SS**PPolyproline II helixtrans-66.5146.5174.229.3-34.5000110.5V544P542-V544 PolarHBondContact O-N 2.88Å
543P40.4Very low36.5Very low127 Ų127145.8 Ų145.883%0.82579%0.788SS**PPolyproline II helixtrans-63.9126.1176.426.9-33.8000110.3
544V39.9Very low36.8Very low131 Ų131149 Ų14979%0.79480%0.796SS**PPolyproline II helixtrans-78.9127.1178.4-179.90000109P542P542-V544 PolarHBondContact O-N 2.88Å
545P42.6Very low36.9Very low102 Ų102146.2 Ų146.266%0.66279%0.79SS**PPolyproline II helixtrans-67.7143.4178.127.8-34.6000111.2R547P545-R547 PolarHBondContact O-N 2.66Å
546P39.1Very low37.1Very low121 Ų121149.8 Ų149.879%0.78680%0.803SS**PPolyproline II helixtrans-66.2124.7-177.426.4-34000111.4T548P546-T548 PolarHBondContact O-N 3.13Å; P546-T548 VanDerWaalsContact O-N 3.16Å
547R37.4Very low37.3Very low235 Ų235149.1 Ų149.189%0.88780%0.799SS**  trans-72.6103.5172.1-85-176.2160.5121.7-5.7110.4P545 T549P545-R547 PolarHBondContact O-N 2.66Å; R547-T549 PolarHBondContact O-N 2.66Å
548T31.4Very low37.6Very low128 Ų128143.4 Ų143.479%0.78580%0.795SS**  trans-65121.5166.2490000110.2P546P546-T548 PolarHBondContact O-N 3.13Å; P546-T548 VanDerWaalsContact O-N 3.16Å
549T37.7Very low37.7Very low124 Ų124142.6 Ų142.676%0.76179%0.794SS**  trans-95110.4174.8560000110.1R547 K551R547-T549 PolarHBondContact O-N 2.66Å; T549-K551 PolarHBondContact O-N 2.77Å
550T34.4Very low37.6Very low141 Ų141138 Ų13887%0.86579%0.787SS**  trans-78.1105.4-176.1-42.70000110.9
551K46.5Very low37.3Very low180 Ų180137.9 Ų137.978%0.78379%0.79SS**  trans-107.8142.2161.6-70.2-176.7178179.90109.2T549T549-K551 PolarHBondContact O-N 2.77Å
552P43.8Very low37.3Very low128 Ų128138 Ų13883%0.83179%0.79SS**  trans-71.2158.1179.629.4-34.6000112.9
553F33.3Very low37.2Very low196 Ų196141.4 Ų141.486%0.8680%0.796SS**  trans-66.9141.9-169.8-61.9-101000115.5
554I32.4Very low37.1Very low176 Ų176140.6 Ų140.690%0.90379%0.793SS**  -134.7144.9120.7-58.8-172.4000106.8
555S30.3Very low36.9Very low89 Ų89138.2 Ų138.262%0.62279%0.787SS**  trans-123.2139.2-167.556.20000114.2
556I33.2Very low36.3Very low177 Ų177141.6 Ų141.691%0.90879%0.794SS**  trans-135.4142.4157.7-61.7-176.9000108.2
557T33.6Very low35.9Very low130 Ų130142.4 Ų142.480%0.79879%0.792SS**  trans-119.4130.3-168.147.50000114.5
558A36.6Very low35.6Very low87 Ų87135.3 Ų135.372%0.71978%0.783SS**  trans-152.7123.1149.400000106
559Q32.6Very low35.3Very low188 Ų188139.2 Ų139.288%0.87979%0.785SS**  61124.571.5-66.7-172.5-43.100113.1
560S30.1Very low34.9Very low99 Ų99139.4 Ų139.469%0.69278%0.779SS**  cis-171.6146.4-2.750.70000112.9
561S37.7Very low34.7Very low115 Ų115139.4 Ų139.480%0.80477%0.774SS**  trans57.1152.3152-49.60000118.7
562T46.8Very low33.7Very low117 Ų117134.3 Ų134.372%0.71877%0.772SS**  cis-142.1144.130.638.50000111.1
563E41.6Very low33.2Very low179 Ų179137.7 Ų137.784%0.83678%0.777SS**  71.3133.891.7-141.7179.5112.100113.6
564S37.8Very low32.9Very low110 Ų110131.3 Ų131.377%0.76977%0.766SS**  cis-146.9178.522.8-159.20000114.7
565A36Very low33Very low80 Ų80129.9 Ų129.966%0.66176%0.756SS**  trans-74.7162.3176.100000112.9
566Q30.5Very low33Very low174 Ų174136.4 Ų136.481%0.81377%0.767SS**  cis85.7126.934-117.4-178-8.400116.4
567D30.6Very low32.8Very low137 Ų137131.1 Ų131.173%0.73376%0.755SS**  trans63.3110.7154.4-66.61.8000125.1
568A31.4Very low32.6Very low86 Ų86132.8 Ų132.871%0.71176%0.759SS**  84178.5118.500000122.1
569Y25Very low32.5Very low210 Ų210135.7 Ų135.782%0.82476%0.762SS**  trans75.1141.1178.2-82.4-117.1000117.7
570M29.4Very low32.4Very low129 Ų129134 Ų13464%0.63576%0.757SS**  cis-164179.2-21.1-121.6-43.5-178.800111.4
571D29.4Very low32.4Very low141 Ų141134 Ų13475%0.75476%0.757SS**  trans11.9132.8153.8-78.7-51.6000122.2
572G26.4Very low31.9Very low73 Ų73137.5 Ų137.575%0.75376%0.761SS**  91.7132.5100.400000120.1
573H33.1Very low31Very low198 Ų198137.8 Ų137.892%0.91777%0.768SS**  trans-63.7156.5162.6-104.8-31.8000111.9
574G27.5Very low30.4Very low62 Ų62131.9 Ų131.964%0.63976%0.755SS**  cis150.9-164.12.100000112.4
575Q32.5Very low30.1Very low147 Ų147134.9 Ų134.969%0.68776%0.761SS**  trans-155124.5165.8-89.8-130.6200112.2
576R32.1Very low29.7Very low226 Ų226135.7 Ų135.785%0.85376%0.762SS**  trans64.8150.1163.8-49.2173.7-156.4-119.9-0.4115.7
577G28.8Very low29.6Very low65 Ų65135.2 Ų135.267%0.6777%0.765SS**  cis178.4146.8-900000112.4
578D28.5Very low29.6Very low165 Ų165134.5 Ų134.588%0.88277%0.771SS**  trans65.1162.5167.5-56.3-37.6000121.2
579I35Very low30Very low149 Ų149137.5 Ų137.576%0.76478%0.78SS**  trans86.994.1158.4-47.1-170.1000120.4
580I30.6Very low30.5Very low151 Ų151135.3 Ų135.377%0.77478%0.778SS**  trans73.3113.2133.3-62.5178.1000122.7
581S29.4Very low30.8Very low100 Ų100134.8 Ų134.870%0.69979%0.786SS**  trans60.6127.3135.3-63.40000126.7
582Q27.7Very low31.4Very low188 Ų188134.7 Ų134.788%0.87979%0.785SS**  trans78.8143.2136.3-73.7-168.911.600122.7
583S28Very low32.4Very low124 Ų124135 Ų13587%0.86777%0.77SS**  trans63.9136.3175.1-141.40000117.1
584G27.9Very low32.8Very low55 Ų55130.1 Ų130.157%0.56776%0.758SS**  cis128108.9-11.200000113.7
585L32.9Very low33.9Very low172 Ų172134.1 Ų134.190%0.90176%0.762SS**  trans66.4153.2171-46.7175.7000115.8
586S27.3Very low34.8Very low97 Ų97133.9 Ų133.968%0.67876%0.758SS**  cis-168.2117-29.7-96.80000107.9
587N28.7Very low36.2Very low165 Ų165126.3 Ų126.388%0.88274%0.744SS**  trans-112.895.7177.7-72.110.2000110.6
588S30.7Very low37.6Very low121 Ų121128.4 Ų128.485%0.84674%0.74SS**  trans-153128.8165.7-77.60000110.5E590S588-E590 PolarHBondContact O-N 3Å
589T38.3Very low39.2Very low149 Ų149124.5 Ų124.591%0.91472%0.722SS**  trans-52.1114.4-177.748.30000113.6
590E36.2Very low40.6Very low165 Ų165120 Ų12077%0.77171%0.706SS**  trans-94.5134.4160.1-175.1170.4106.400109.5S588S588-E590 PolarHBondContact O-N 3Å
591S36Very low42.3Very low117 Ų117115.6 Ų115.682%0.81869%0.693SS**  trans-93114.7171.9-170.60000108.7D593S591-D593 PolarHBondContact O-N 2.95Å; S591-D593 VanDerWaalsContact O-N 3.09Å
592L40.9Very low44.1Very low139 Ų139115.1 Ų115.173%0.72868%0.682SS**  trans-73105-177.8-71.3177.8000111S594L592-S594 PolarHBondContact O-N 2.96Å
593D48.1Very low45.8Very low80 Ų80112.7 Ų112.743%0.42867%0.67SS.*  trans-72.687.7171.6-175.2-7.4000110S591 M595 K596 A597S591-D593 PolarHBondContact O-N 2.95Å; S591-D593 VanDerWaalsContact O-N 3.09Å; D593-M595 PolarHBondContact O-N 2.64Å; D593-M595 PolarHBondContact OD1-N 3.49Å; D593-K596 HydrophobicContact CB-CG 4.49Å; D593-K596 PolarHBondContact O-N 3.41Å; D593-K596 IonicContact OD2-NZ 2.62Å; D593-K596 PolarHBondContact OD2-NZ 2.81Å; D593-A597 PolarHBondContact O-N 3.17Å
594S41.4Very low47.3Very low96 Ų96109.5 Ų109.567%0.67165%0.651SS**Hα-helixtrans-50.5-26.8-175.3-53.90000114.2L592 L598L592-S594 PolarHBondContact O-N 2.96Å; S594-L598 WeakPolarHBondContact O-CB 3.04Å; S594-L598 PolarHBondContact O-N 3.02Å
595M49.6Very low48.5Very low145 Ų145109.4 Ų109.471%0.71465%0.646SS**Hα-helixtrans-70-41.4-180-155173.2-63.200111.5D593 L598 T599D593-M595 PolarHBondContact O-N 2.64Å; D593-M595 PolarHBondContact OD1-N 3.49Å; M595-L598 PolarHBondContact O-N 2.87Å; M595-T599 PolarHBondContact O-N 3.26Å; M595-T599 PolarHBondContact O-OG1 2.83Å; M595-T599 VanDerWaalsContact O-OG1 3.13Å
596K52.8Low49.1Very low142 Ų142106.3 Ų106.362%0.61763%0.63SS**Hα-helixtrans-69.8-37.4178-66.8-170.917894.50112.5D593 L598 T599 A600D593-K596 HydrophobicContact CB-CG 4.49Å; D593-K596 PolarHBondContact O-N 3.41Å; D593-K596 IonicContact OD2-NZ 2.62Å; D593-K596 PolarHBondContact OD2-NZ 2.81Å; K596-L598 VanDerWaalsContact C-N 3.33Å; K596-T599 PolarHBondContact O-N 3.06Å; K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.32Å
597A61Low50.1Low67 Ų67105.4 Ų105.455%0.55463%0.628SS**Hα-helixtrans-62.9-40.4174.600000111.7D593 A601D593-A597 PolarHBondContact O-N 3.17Å; A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.08Å
598L58.2Low51.1Low110 Ų110105.6 Ų105.658%0.57662%0.624SS**Hα-helixtrans-66.5-45.9175.6-177.859.6000112.1S594 M595 K596 A600 A601 I602S594-L598 WeakPolarHBondContact O-CB 3.04Å; S594-L598 PolarHBondContact O-N 3.02Å; M595-L598 PolarHBondContact O-N 2.87Å; K596-L598 VanDerWaalsContact C-N 3.33Å; L598-A600 PolarHBondContact O-N 3.23Å; L598-A601 PolarHBondContact O-N 2.77Å; L598-I602 HydrophobicContact CD1-CD1 3.99Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.97Å; L598-I602 WeakPolarHBondContact O-CG1 3.4Å; L598-I602 PolarHBondContact O-N 3.43Å
599T63.2Low51.9Low82 Ų82105.7 Ų105.750%0.50361%0.614SS.*Hα-helixtrans-59.1-47.8175.8-58.90000111.6M595 K596 A601 I602 E603M595-T599 PolarHBondContact O-N 3.26Å; M595-T599 PolarHBondContact O-OG1 2.83Å; M595-T599 VanDerWaalsContact O-OG1 3.13Å; K596-T599 PolarHBondContact O-N 3.06Å; T599-A601 VanDerWaalsContact C-N 3.32Å; T599-A601 PolarHBondContact O-N 3.43Å; T599-I602 PolarHBondContact O-N 2.91Å; T599-E603 WeakPolarHBondContact O-CB 3.46Å; T599-E603 PolarHBondContact O-N 3.23Å
600A63.2Low52.3Low54 Ų54107 Ų10745%0.44661%0.609SS.*Hα-helixtrans-63.9-34.7179.200000112.9K596 L598 A604K596-A600 WeakPolarHBondContact O-CB 3.43Å; K596-A600 PolarHBondContact O-N 3.32Å; L598-A600 PolarHBondContact O-N 3.23Å; A600-A604 VanDerWaalsContact O-CB 3.24Å; A600-A604 WeakPolarHBondContact O-CB 3.29Å; A600-A604 PolarHBondContact O-N 2.93Å
601A66.9Low52.1Low60 Ų60102.4 Ų102.450%0.49661%0.605SS.*Hα-helixtrans-67.8-39.6174.500000112.5A597 L598 T599 A605A597-A601 WeakPolarHBondContact O-CB 3.3Å; A597-A601 PolarHBondContact O-N 3.08Å; L598-A601 PolarHBondContact O-N 2.77Å; T599-A601 VanDerWaalsContact C-N 3.32Å; T599-A601 PolarHBondContact O-N 3.43Å; A601-A605 WeakPolarHBondContact O-CB 3.3Å; A601-A605 PolarHBondContact O-N 3.29Å
602I67.2Low52Low90 Ų90103.1 Ų103.146%0.46261%0.608SS.*Hα-helixtrans-68.7-41.3176-67.7166.1000110.8L598 T599 A605 N606L598-I602 HydrophobicContact CD1-CD1 3.99Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.97Å; L598-I602 WeakPolarHBondContact O-CG1 3.4Å; L598-I602 PolarHBondContact O-N 3.43Å; T599-I602 PolarHBondContact O-N 2.91Å; I602-A605 PolarHBondContact O-N 2.95Å; I602-N606 PolarHBondContact O-N 3.48Å; I602-N606 PolarHBondContact O-ND2 3.08Å
603E62.7Low51.9Low136 Ų136101.6 Ų101.664%0.63662%0.615SS**Hα-helixtrans-63.9-44.2176.3-169.4170.5-167.600111.6T599 A605 N606 A607T599-E603 WeakPolarHBondContact O-CB 3.46Å; T599-E603 PolarHBondContact O-N 3.23Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.03Å; E603-N606 PolarHBondContact O-N 3.32Å; E603-A607 WeakPolarHBondContact O-CB 3.23Å; E603-A607 PolarHBondContact O-N 2.99Å
604A59.4Low51.3Low57 Ų57103.6 Ų103.647%0.47164%0.635SS.*Hα-helixtrans-65.6-30.6174.700000113.7A600A600-A604 VanDerWaalsContact O-CB 3.24Å; A600-A604 WeakPolarHBondContact O-CB 3.29Å; A600-A604 PolarHBondContact O-N 2.93Å
605A54.2Low50.8Low54 Ų54107.7 Ų107.745%0.44664%0.644SS.*Hα-helixtrans-72.3-44.8173.500000111.8A601 I602 E603 A607 Q608A601-A605 WeakPolarHBondContact O-CB 3.3Å; A601-A605 PolarHBondContact O-N 3.29Å; I602-A605 PolarHBondContact O-N 2.95Å; E603-A605 VanDerWaalsContact C-N 3.33Å; E603-A605 PolarHBondContact O-N 3.03Å; A605-A607 VanDerWaalsContact C-N 3.28Å; A605-A607 PolarHBondContact O-N 3.4Å; A605-Q608 PolarHBondContact O-N 3.16Å; A605-Q608 VanDerWaalsContact O-N 3.16Å
606N45.8Very low49.8Very low106 Ų106109.3 Ų109.357%0.56765%0.649SS**Hα-helixtrans-63-34.6176.9-73.9-29.5000112.2I602 E603 Q608 I609I602-N606 PolarHBondContact O-N 3.48Å; I602-N606 PolarHBondContact O-ND2 3.08Å; E603-N606 PolarHBondContact O-N 3.32Å; N606-Q608 PolarHBondContact O-N 3.24Å; N606-Q608 VanDerWaalsContact O-N 3.11Å; N606-I609 PolarHBondContact O-N 2.97Å
607A48.1Very low48.7Very low78 Ų78108.4 Ų108.465%0.64566%0.655SS**THydrogen-bonded Turntrans-62.5-13.2175.900000114.7E603 A605E603-A607 WeakPolarHBondContact O-CB 3.23Å; E603-A607 PolarHBondContact O-N 2.99Å; A605-A607 VanDerWaalsContact C-N 3.28Å; A605-A607 PolarHBondContact O-N 3.4Å
608Q50.1Low47.1Very low169 Ų169108.5 Ų108.579%0.7966%0.662SS**THydrogen-bonded Turntrans-92.4-5.6178.4-63.9-172.119.400114.4A605 N606A605-Q608 PolarHBondContact O-N 3.16Å; A605-Q608 VanDerWaalsContact O-N 3.16Å; N606-Q608 PolarHBondContact O-N 3.24Å; N606-Q608 VanDerWaalsContact O-N 3.11Å
609I47Very low45.7Very low124 Ų124110.3 Ų110.364%0.63667%0.673SS**THydrogen-bonded Turntrans-96.6-20.4-172.4-63.1-179.1000113.1N606N606-I609 PolarHBondContact O-N 2.97Å
610H46.2Very low44.1Very low177 Ų177113.4 Ų113.482%0.81969%0.686SS**  trans-135.797.2175.3-79.3-67000113.7
611G31.3Very low42.5Very low67 Ų67117.6 Ų117.669%0.69171%0.706SS**  trans-117.7142.915900000110.1
612P35.8Very low40.7Very low133 Ų133118.5 Ų118.586%0.86471%0.714SS**  trans-79.6148.4-167.531.2-36000113.7
613A38.7Very low38.8Very low106 Ų106120.2 Ų120.288%0.87673%0.729SS**  trans-82.4131.6167.900000110.7
614S34Very low37.2Very low122 Ų122119.3 Ų119.385%0.85373%0.733SS**  trans-145.3156.7164.3-164.70000111.7
615Q32.5Very low35.7Very low183 Ų183122.8 Ų122.886%0.85575%0.748SS**  trans-82.8157.3-167.4-55.3157.14.600111.3
616H27.6Very low34.5Very low178 Ų178125.7 Ų125.782%0.82476%0.76SS**  178155.3114.9-165-111.7000113.6
617V30.4Very low33.8Very low123 Ų123126.7 Ų126.775%0.74577%0.77SS**  trans-45.4151.7175.8177.10000116.6
618G27.7Very low33.1Very low69 Ų69128.4 Ų128.471%0.71177%0.773SS**  trans169.7124.3151.600000116.8
619N27.8Very low32.1Very low148 Ų148125.7 Ų125.779%0.79177%0.768SS**  trans-105.8143.5177-73.7-26.4000113.3
620N30.3Very low31.4Very low148 Ų148126.9 Ų126.979%0.79177%0.774SS**  trans68.1166.8144.9-64.9-7.7000122.2
621T28.5Very low30.7Very low141 Ų141122.4 Ų122.487%0.86577%0.768SS**  trans91.4126159.7-40.70000114.8
622A30.4Very low30.6Very low80 Ų80125.3 Ų125.366%0.66177%0.772SS**  cis-144.7-161.5-7.300000109
623T27.4Very low30.4Very low125 Ų125126.6 Ų126.677%0.76778%0.777SS**  cis-167.1134.731-28.10000112.8
624V28.3Very low29.9Very low118 Ų118125.8 Ų125.872%0.71577%0.77SS**  trans27135.6135-164.10000118.7
625T27Very low29.6Very low130 Ų130126.4 Ų126.480%0.79877%0.769SS**  -167.716679.4-470000114.5
626T30Very low29.4Very low114 Ų114126.1 Ų126.170%0.69977%0.767SS**  trans-107.1163.4-162.649.70000117.1
627T30.3Very low29.4Very low127 Ų127122.8 Ų122.878%0.77976%0.756SS**  trans178.1114.3142.9-74.60000107.4
628T32.8Very low29.4Very low114 Ų114126.3 Ų126.370%0.69976%0.756SS**  74.5123.462.3-46.70000112
629T29.5Very low29.5Very low112 Ų112131.8 Ų131.869%0.68776%0.76SS**  -176.1127.183.7-540000113.6
630I33.5Very low29.7Very low150 Ų150134.4 Ų134.477%0.76976%0.764SS**  trans41.1111.9143.3-54.9174.1000119.4
631A30.9Very low29.5Very low82 Ų82134 Ų13468%0.67876%0.762SS**  75.4150.680.500000115.6
632T29.2Very low29.5Very low129 Ų129133.8 Ų133.879%0.79175%0.751SS**  cis-170.1144.7-1.212.40000109.6
633V31Very low29.5Very low159 Ų159137.1 Ų137.196%0.96475%0.751SS**  trans-167.3162.9141.6-100.90000113.8
634A28.2Very low29.8Very low89 Ų89138.2 Ų138.274%0.73675%0.745SS**  trans-69.2162.1-168.500000120.2
635V28.7Very low30.4Very low135 Ų135141.3 Ų141.382%0.81875%0.749SS**  trans83.8114.6140.3162.70000122.1
636E27.9Very low30.4Very low177 Ų177141.3 Ų141.383%0.82774%0.744SS**  trans58.2131146.1-67-138.1123.600126.5
637D28.4Very low30.4Very low109 Ų109146 Ų14658%0.58375%0.749SS**  trans51.7112.8136.1-141.422000118.5
638R29.6Very low30.5Very low196 Ų196145.4 Ų145.474%0.7475%0.749SS**  -163.4154.259.5-91.9-173.8171.6160.315.2116
639K29.2Very low30.4Very low184 Ų184147.9 Ų147.980%0.876%0.757SS**  trans50.994.4153-64.3176-178.7-178.80116.7
640K33.1Very low30.4Very low203 Ų203146.8 Ų146.888%0.88375%0.754SS**  74.8109.167.5-175.3-172.9175.3-179.80114.5
641D25.8Very low30.5Very low139 Ų139148.2 Ų148.274%0.74376%0.761SS**  trans-154.2178.8130.9-143.2-28.9000111.3
642H28.2Very low30.3Very low138 Ų138147.8 Ų147.864%0.63976%0.764SS**  trans90.3112.6166.1-66.6-67.9000122.2
643F29.5Very low31Very low149 Ų149149.8 Ų149.865%0.65477%0.768SS**  82.9112.4125.4-72.1-31.2000124.4
644K34.8Very low30.7Very low148 Ų148149.9 Ų149.964%0.64376%0.759SS**  72.6125.6118.8-73.8168-179.8158.30121.7
645K40.9Very low31.1Very low183 Ų183152.1 Ų152.180%0.79676%0.763SS**  trans69.4121.2134.7-68.3-176.8174.6-1690119.7
646N26.3Very low31.3Very low130 Ų130152.1 Ų152.170%0.69576%0.758SS**  trans-154.4155.8147.9-76.5-64.2000106.3
647R30.9Very low31.6Very low214 Ų214147.5 Ų147.581%0.80876%0.758SS**  cis-154179.1-17-112.2-179.9-51.8-114.416.7107.8
648C32.2Very low31.7Very low114 Ų114147 Ų14777%0.7777%0.769SS**  trans-94.1173.5-176.5-55.80000113.3
649L29.8Very low31.8Very low166 Ų166147.2 Ų147.287%0.86978%0.779SS**  trans74.6156.6164.7-50.2177.1000116.8
650S29.9Very low31.8Very low89 Ų89147.7 Ų147.762%0.62278%0.783SS**  cis-174.1137.6-36.3550000110.4
651I35.6Very low31.7Very low179 Ų179143.3 Ų143.392%0.91878%0.779SS**  trans65.8133.8165-60.8169.6000116.6
652G26.6Very low31.8Very low73 Ų73142 Ų14275%0.75378%0.776SS**  trans162.9107.5170.700000110.5
653I45.3Very low31.9Very low171 Ų171144.9 Ų144.988%0.87779%0.786SS**  trans-103.9119.7177.9-61.3174000108.4
654Q24.6Very low31.7Very low162 Ų162143.4 Ų143.476%0.75780%0.795SS**  trans-150.7137.6161-165.9166.3-25.900108.8D656Q654-D656 PolarHBondContact NE2-OD2 3.48Å
655V36Very low31.5Very low136 Ų136139.8 Ų139.882%0.82480%0.8SS**  trans-134.2110.6176.7178.20000107.1
656D32.2Very low31.1Very low134 Ų134139.5 Ų139.572%0.71780%0.801SS**  trans-111.8150.1170-79.3-65.4000108.7Q654Q654-D656 PolarHBondContact NE2-OD2 3.48Å
657G35Very low31.3Very low80 Ų80139.2 Ų139.283%0.82580%0.8SS**  trans-161.4133.5-178.400000114.1
658A31.3Very low31.3Very low99 Ų99138.9 Ų138.982%0.81880%0.804SS**  trans-168.8144.9-179.400000108.2
659E30Very low31Very low201 Ų201137.3 Ų137.394%0.93980%0.799SS**  cis-131.6-173.9-7.2-63.1-169.791.900109.8
660E30.4Very low30.9Very low193 Ų193136 Ų13690%0.90280%0.799SS**  trans-132.9133.6-176.3178.7-176.6-144.700112.6
661S31Very low30.8Very low112 Ų112137.2 Ų137.278%0.78381%0.807SS**  trans-169.3144.8154.2590000109.8
662T27Very low30.7Very low112 Ų112137.8 Ų137.869%0.68780%0.802SS**SBendcis-137.9146.414.762.10000113
663K30.2Very low30.7Very low197 Ų197144.4 Ų144.486%0.85781%0.811SS**SBendtrans66.2134.7162.8-57.1166.6-175.6175.70117.7
664S26.5Very low29.9Very low118 Ų118144.5 Ų144.583%0.82581%0.808SS**  cis-174.6132.4-16.945.30000108
665G30.9Very low30.1Very low73 Ų73141 Ų14175%0.75380%0.801SS**  cis-177.2-172.8-4.700000111.5
666E31.7Very low29.7Very low176 Ų176141.8 Ų141.882%0.82280%0.799SS**  trans74.587.9171.6-55.2-144.386.600119.6
667N31.1Very low29.4Very low125 Ų125138.5 Ų138.567%0.66880%0.796SS**  84.495.1122-68.3-52.7000122
668K29.3Very low29.2Very low207 Ų207140.1 Ų140.190%0.979%0.79SS**  80.1155.1129.6-89.3177.8174.4173.40120.5
669A26.5Very low29.2Very low81 Ų81143.3 Ų143.367%0.66979%0.788SS**  trans-125.6170.9-173.200000112.1
670T27.3Very low29.4Very low139 Ų139138.6 Ų138.685%0.85377%0.773SS**  trans51.2114.5159.456.80000119.2
671S29.1Very low29.7Very low114 Ų114137 Ų13780%0.79777%0.765SS**  -152.4159.4110.7-164.30000110.7
672K32Very low29.6Very low190 Ų190138.3 Ų138.383%0.82676%0.759SS**  trans-87.3143.2174.5-65.3176.21801760109.9
673F27.4Very low29.7Very low213 Ų213140.6 Ų140.693%0.93476%0.762SS**  trans-123.6159.2145.4-88.3-80.1000110.4
674Q28.8Very low29.8Very low173 Ų173138.4 Ų138.481%0.80875%0.753SS**  trans-121.4162.2-170.3170.3175.7-2100109.3
675S27.8Very low29.8Very low87 Ų87138 Ų13861%0.60875%0.749SS**  trans70142.8160.253.70000119.1
676I28.3Very low29.7Very low154 Ų154143.7 Ų143.779%0.7975%0.753SS**  trans68.1129.8169.6-51.4133.4000112.4
677G26.5Very low29.6Very low64 Ų64144.7 Ų144.766%0.6675%0.749SS**  cis112.4164.511.100000111.1
678V30.5Very low29.6Very low115 Ų115147.9 Ų147.970%0.69775%0.752SS**  trans68.3108.5166-177.30000116.7
679Q31Very low29.6Very low165 Ų165147 Ų14777%0.77175%0.748SS**  trans67.8175.7148.4-131.4163-36.700113.2
680V34.6Very low29.8Very low103 Ų103148.2 Ų148.262%0.62475%0.748SS**  cis-146129.119.7168.90000105.2
681E35.8Very low30Very low158 Ų158152.4 Ų152.474%0.73875%0.748SS**  64.3-174.892.7-135.1-175.9141.600114.8
682E30Very low30.1Very low140 Ų140151.4 Ų151.465%0.65474%0.741SS**  trans64.7107.1-172.1-55.7-147.9105.900114.4K684E682-K684 IonicContact OE1-NZ 2.59Å; E682-K684 PolarHBondContact OE1-NZ 3.37Å
683E29.5Very low30Very low160 Ų160149.2 Ų149.275%0.74874%0.738SS**  52113.750.6-59.1-153.9143.500115.7
684K30.8Very low30.2Very low151 Ų151143.9 Ų143.966%0.65773%0.727SS**  trans147.191.4139.3-78.2142.4-151.1166.80108.6E682E682-K684 IonicContact OE1-NZ 2.59Å; E682-K684 PolarHBondContact OE1-NZ 3.37Å
685C27.8Very low30.3Very low110 Ų110141.3 Ų141.374%0.74372%0.723SS**  52.3108.466.5-1580000113.2
686F28.7Very low30.6Very low192 Ų192142.8 Ų142.884%0.84273%0.729SS**  -175.1126.6122.1-112.1-70.1000113.4
687R29.4Very low30.8Very low197 Ų197141.3 Ų141.374%0.74373%0.727SS**  178.4114.2125.3-100.2-177.4-173.4-155.84.3113.2
688R31.3Very low31Very low192 Ų192142.5 Ų142.573%0.72573%0.731SS**  trans66.8149.6142.1-54.3179.9-179.7174.8-3.4117.7
689F28.6Very low30.9Very low189 Ų189143.7 Ų143.783%0.82974%0.738SS**  cis-145.1-170.8-14.6-141.8-113000109.9
690T31.7Very low30.9Very low107 Ų107145.1 Ų145.166%0.65675%0.745SS**  trans-104.5161.5-157.354.50000116.9
691R31Very low30.6Very low227 Ų227144.7 Ų144.786%0.85775%0.752SS**  trans93.1112.5134.8-136.1177-166.1-92.15119.6
692S31.8Very low30.4Very low92 Ų92144.3 Ų144.364%0.64376%0.755SS**  148143.9116.5-59.90000114.9
693N28.9Very low30.5Very low144 Ų144145 Ų14577%0.7776%0.762SS**  trans16.1142.2155.9-53.39.5000121.4
694S31.5Very low30.7Very low102 Ų102143.8 Ų143.871%0.71376%0.761SS**  cis78.7158.528.489.40000116.7
695V31.5Very low30.6Very low118 Ų118145.7 Ų145.772%0.71577%0.769SS**  trans92.6105.5-168.6178.60000111.8
696T32.7Very low30.7Very low119 Ų119147.4 Ų147.473%0.7377%0.766SS**  66.614766680000113.6
697T32.7Very low30.8Very low122 Ų122145.1 Ų145.175%0.74876%0.758SS**  cis-142.8153.133.246.60000110.8
698A31Very low30.8Very low90 Ų90141.3 Ų141.374%0.74475%0.753SS**  61.2103.462.100000116.1
699V29.4Very low30.8Very low139 Ų139140.3 Ų140.384%0.84275%0.754SS**  trans-146.5140.8147.3174.90000107.3
700Q30.7Very low30.8Very low196 Ų196138.5 Ų138.592%0.91675%0.748SS**  trans-125129.6162-172.2177.64.900106.9
701A28.8Very low30.7Very low94 Ų94140 Ų14078%0.77775%0.751SS**  trans-141.3153.8175.400000108.3
702D31.4Very low30.7Very low150 Ų150137.1 Ų137.180%0.80275%0.751SS**  trans-133.4170.9-164.9-164.57.1000110.1
703L32.3Very low30.5Very low154 Ų154139.5 Ų139.581%0.80676%0.756SS**  trans79.1151.4171.1-62.5161.2000119.5
704D32.4Very low31.6Very low135 Ų135137.5 Ų137.572%0.72275%0.751SS**  trans-99-179.4-169.2-56.4-88.8000115.1
705F29.3Very low31.3Very low190 Ų190141.5 Ų141.583%0.83376%0.758SS**  trans100.1130.8153.2-68.7-74.9000122
706H30.3Very low31.2Very low147 Ų147144 Ų14468%0.68176%0.762SS**  trans69.9114.6148.3-102.8-90.8000123
707E30.8Very low31Very low144 Ų144145.2 Ų145.267%0.67376%0.764SS**  trans56.5130.7130.2-86-172.8-15800124.8
708N28.3Very low30.8Very low116 Ų116145.2 Ų145.262%0.6276%0.76SS**  trans85.4129.8130.5-82.3-40.6000123.3
709F30.9Very low30.6Very low171 Ų171146.4 Ų146.475%0.7576%0.758SS**  trans59.3107155.9-73.2-74.8000123.5
710E30.3Very low30.4Very low152 Ų152145.7 Ų145.771%0.7176%0.758SS**  37118.2126.4-69-166.3130.900123.5
711I29Very low30.1Very low139 Ų139141.9 Ų141.971%0.71375%0.752SS**  trans59112.1134.1-40.3162.7000118.9
712I31.6Very low30Very low166 Ų166140.7 Ų140.785%0.85175%0.749SS**  -176.3151.4116.1-94.9172.6000110.1
713D26.8Very low29.9Very low141 Ų141141.2 Ų141.275%0.75475%0.747SS**  trans-102-176.3-175.8-161.132.7000111.2
714P51Low29.7Very low103 Ų103141.5 Ų141.567%0.66975%0.746SS**  -106178.3-98.337.2-21.8000113.8
715Q26.3Very low29.4Very low186 Ų186139.1 Ų139.187%0.86974%0.74SS**  -174.3155.1129.6-167.7157.1-4.600112.5
716E30Very low29.3Very low170 Ų170139.7 Ų139.779%0.79474%0.737SS**  trans-69.2168.7174.1-51.4157.7132.600111.5
717D27.7Very low29.2Very low144 Ų144137.6 Ų137.677%0.7773%0.727SS**  cis-166.6171.724.3-1647.3000113.2
718N27.7Very low29.1Very low123 Ų123140 Ų14066%0.65873%0.732SS**  trans96134.9138.6-146.69000124.4
719T26.6Very low28.9Very low114 Ų114139.1 Ų139.170%0.69973%0.734SS**  trans74.494.1151.6280000125.5
720C26.2Very low28.8Very low125 Ų125141.1 Ų141.185%0.84574%0.737SS**  47.4127.2113.2-1660000124
721S25.1Very low28.7Very low115 Ų115139.7 Ų139.780%0.80473%0.734SS**  179.9126.5127.2-1740000115.9
722G25.9Very low28.5Very low69 Ų69137.6 Ų137.671%0.71174%0.737SS**  trans71.1163.7151.500000120.8
723Q28.5Very low28.4Very low161 Ų161134.7 Ų134.775%0.75273%0.732SS**  cis-164.6114-19.5-149.8-174.5-80.800113.1
724M28.2Very low28.4Very low161 Ų161134.2 Ų134.279%0.79373%0.734SS**  trans54.5-178.7163.269.4173.565.100117
725S27.3Very low27.2Very low84 Ų84134.4 Ų134.459%0.58774%0.738SS**  cis-161.8167.3-11.9-1070000105.6
726R26.8Very low27.5Very low203 Ų203131.4 Ų131.477%0.76673%0.733SS**  cis-180164.3-11-101-178.4-163.6-105.114.3107.2
727Q29.1Very low27.5Very low103 Ų103129.7 Ų129.748%0.48173%0.733SS.*  cis-175.2155.8-26.8-139.4171.8-500110.3
728Y27.8Very low27.5Very low195 Ų195128.7 Ų128.777%0.76574%0.738SS**  trans69.3157.7158.2-63.4-44.6000120.1
729S24.6Very low27.6Very low97 Ų97130 Ų13068%0.67874%0.743SS**  cis-174.6161.4-21.8-175.60000111.7
730R27.9Very low27.7Very low213 Ų213133.4 Ų133.480%0.80475%0.751SS**  113.5108129.7-140.8172.4-169.21760.7123.2
731D28Very low27.8Very low121 Ų121131.3 Ų131.365%0.64775%0.75SS**  trans36.3123.2131.2-32.7-26.1000124.7
732A26.3Very low28.1Very low95 Ų95131.8 Ų131.879%0.78575%0.754SS**  81.8156.611800000124.8
733S27.7Very low28.3Very low105 Ų105131.7 Ų131.773%0.73475%0.753SS**  trans69.1120.8166.7-58.50000117.7
734T27.2Very low28.3Very low131 Ų131132 Ų13280%0.80476%0.76SS**  63.8101.352.374.30000115.7
735S26.8Very low28.4Very low108 Ų108132 Ų13276%0.75576%0.758SS**  174.8168113.5-146.10000115.4
736T31.4Very low28.2Very low122 Ų122139.3 Ų139.375%0.74877%0.774SS**  trans52105.5156.251.70000123
737V29.8Very low28.3Very low134 Ų134137.7 Ų137.781%0.81278%0.775SS**  29.3126.2117.3-178.90000119.8
738S29Very low28.2Very low123 Ų123136.6 Ų136.686%0.8678%0.783SS**  trans-161.1169.7139.8-89.70000113.5
739I28.9Very low28.4Very low151 Ų151133.4 Ų133.477%0.77479%0.788SS**  trans-97.2161.6-154.2-40.1168.2000113
740Q29.3Very low28.5Very low186 Ų186132.7 Ų132.787%0.86979%0.788SS**  trans88.4115.4147.9-142.7156.3-47.900116.8
741G28Very low28.5Very low80 Ų80129.2 Ų129.283%0.82579%0.79SS**  trans-105.4173.9-172.800000115.3
742S32.4Very low28.9Very low125 Ų125130.8 Ų130.887%0.87480%0.799SS**  trans-162.2153.2165.159.70000111
743G29.3Very low29Very low68 Ų68133.4 Ų133.470%0.70180%0.799SS**  trans72.372.5143.600000119.9H745G743-H745 PolarHBondContact O-N 3.47Å
744N28.9Very low29.5Very low167 Ų167135.1 Ų135.189%0.89380%0.8SS**  trans9.693.4140.4-54.5-2.7000118.5
745H29.3Very low29.6Very low161 Ų161137.3 Ų137.375%0.74580%0.799SS**  trans-155.4118.9144.9-146.570.3000111.8G743G743-H745 PolarHBondContact O-N 3.47Å
746Y24.7Very low30.3Very low238 Ų238139.1 Ų139.193%0.93380%0.8SS**  trans-139.5128.8164.8-81.5-72.8000109.5
747H28.4Very low30.5Very low168 Ų168138 Ų13878%0.77879%0.793SS**  trans-133.6156.6170.9-145.6-75.5000107
748A27.4Very low31.1Very low80 Ų80139.2 Ų139.266%0.66180%0.796SS**  trans72.6111.6177.700000117.6
749C30.6Very low31.5Very low128 Ų128142.7 Ų142.787%0.86580%0.795SS**  36.6129.2127.3-450000120.3
750A27.4Very low32Very low83 Ų83139.2 Ų139.269%0.68678%0.779SS**  -176171.995.700000112.8
751V28.6Very low32.7Very low139 Ų139135.5 Ų135.584%0.84277%0.77SS**  trans65154160.7-61.40000120.4
752D34.9Very low33.5Very low154 Ų154134.4 Ų134.482%0.82475%0.75SS**  trans-84.9164.3-165.2-41.6-106.3000113.4
753D30.2Very low33.9Very low150 Ų150134.8 Ų134.880%0.80274%0.741SS**  trans-143.5140.3145.2-139.9-22.8000109.4
754D37.7Very low34.5Very low141 Ų141138.2 Ų138.275%0.75474%0.743SS**  trans-100.6117-166.6-17726000110.9
755F29.8Very low35.2Very low177 Ų177135.1 Ų135.178%0.77673%0.732SS**  trans-136.979.5178.9-92.5-78.6000112.2
756D40Very low36.1Very low146 Ų146131.5 Ų131.578%0.78172%0.722SS**  trans-62.2125.2162-172.215.8000110.8
757T35.7Very low36.9Very low98 Ų98125 Ų12560%0.60171%0.709SS**  trans-162.2131.6170.1-64.70000108.9F759T757-F759 PolarHBondContact O-N 3.09Å
758D43.7Very low37.4Very low161 Ų161123.3 Ų123.386%0.86171%0.706SS**  trans-52.6101.7-173.4-58.7-88.9000114.5
759F36.2Very low38.6Very low195 Ų195124.3 Ų124.386%0.85571%0.705SS**  trans-95.1106.9167.2-102.8-91.1000110.4T757 P761T757-F759 PolarHBondContact O-N 3.09Å; F759-P761 VanDerWaalsContact O-CD 3.28Å; F759-P761 WeakPolarHBondContact O-CD 3.49Å
760D40.4Very low39.8Very low79 Ų79127.4 Ų127.442%0.42270%0.699SS.*  trans-73.7112.6174.4-177.8-6.5000110.7S762 I763D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.24Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.99Å; D760-S762 PolarHBondContact OD1-OG 2.77Å; D760-S762 PolarHBondContact OD2-OG 2.67Å; D760-S762 VanDerWaalsContact OD2-OG 3.13Å; D760-I763 HydrophobicContact CB-CD1 4.22Å
761P42.9Very low40.2Very low107 Ų107128.8 Ų128.870%0.69569%0.694SS**G310 helixtrans-72.4-11.4-178.931.5-36.1000113.2F759 I763F759-P761 VanDerWaalsContact O-CD 3.28Å; F759-P761 WeakPolarHBondContact O-CD 3.49Å; P761-I763 PolarHBondContact O-N 2.98Å
762S44.7Very low40.6Very low57 Ų57129.6 Ų129.640%0.39969%0.693SS.*G310 helixtrans-76.7-6.3-175.3740000114.7D760D760-S762 PolarHBondContact O-N 2.91Å; D760-S762 VanDerWaalsContact OD1-CB 3.24Å; D760-S762 WeakPolarHBondContact OD1-CB 3.41Å; D760-S762 PolarHBondContact OD1-N 2.99Å; D760-S762 PolarHBondContact OD1-OG 2.77Å; D760-S762 PolarHBondContact OD2-OG 2.67Å; D760-S762 VanDerWaalsContact OD2-OG 3.13Å
763I42.1Very low40.7Very low133 Ų133127.1 Ų127.168%0.68269%0.689SS**G310 helixtrans-95.7-10-175.9-57.3178.3000112.4D760 P761D760-I763 HydrophobicContact CB-CD1 4.22Å; P761-I763 PolarHBondContact O-N 2.98Å
764L40.6Very low41Very low141 Ų141126.5 Ų126.574%0.73868%0.684SS**PPolyproline II helixtrans-69.1129.7178.5-67.5178.1000111.7
765P45.2Very low41.3Very low102 Ų102126.4 Ų126.466%0.66269%0.688SS**PPolyproline II helixtrans-64.2154.5164.730.2-34.2000109.7
766P46.8Very low41.6Very low84 Ų84125.8 Ų125.855%0.54569%0.688SS.*PPolyproline II helixtrans-57.2135.7174.225.8-34.2000109.7D768P766-D768 PolarHBondContact O-N 3.09Å
767P42.7Very low41.2Very low103 Ų103124.4 Ų124.467%0.66968%0.68SS**PPolyproline II helixtrans-64.6123.8-173.924.9-33.7000110.9
768D37.1Very low41.5Very low132 Ų132125.2 Ų125.271%0.70669%0.688SS**PPolyproline II helixtrans-62.3130.2176.8-115.8-38.5000109.4P766 W770P766-D768 PolarHBondContact O-N 3.09Å; D768-W770 PolarHBondContact O-N 3.17Å
769P53.7Low41.4Very low100 Ų100124.3 Ų124.365%0.64968%0.682SS**SBendtrans-73.428.3-165.2-22.735.9000117.8
770W56.2Low41.5Very low193 Ų193123 Ų12373%0.73168%0.678SS**  trans-153.3152.9-172.364.7-47.2000115.4D768D768-W770 PolarHBondContact O-N 3.17Å
771I35.1Very low41.5Very low112 Ų112121.9 Ų121.957%0.57468%0.68SS**  trans81.171.6174.4-41.2-177.9000116.1S773I771-S773 WeakPolarHBondContact CG2-OG 3.49Å
772D37.1Very low41.4Very low156 Ų156123.2 Ų123.283%0.83469%0.686SS**  trans-74.4104.2132.5-88.3-45.8000107.9
773S37.7Very low41.1Very low103 Ų103128.4 Ų128.472%0.7270%0.704SS**  trans-98.477.3167.8-88.60000109.9I771I771-S773 WeakPolarHBondContact CG2-OG 3.49Å
774I35.2Very low41Very low137 Ų137132 Ų13270%0.70371%0.709SS**  trans-74.6124.8167.4-44.1179.5000108E776I774-E776 HydrophobicContact CG2-CG 4.28Å; I774-E776 PolarHBondContact O-N 3.12Å; I774-E776 VanDerWaalsContact O-N 3.17Å
775T43.6Very low40.9Very low138 Ų138129 Ų12985%0.84770%0.7SS**  trans-77.894.3179.8-52.90000110.1
776E36.3Very low41.2Very low164 Ų164130.7 Ų130.777%0.76671%0.708SS**  trans-135.3163.9179.2-85.6-59.2161.100114.4I774I774-E776 HydrophobicContact CG2-CG 4.28Å; I774-E776 PolarHBondContact O-N 3.12Å; I774-E776 VanDerWaalsContact O-N 3.17Å
777D33Very low41.6Very low117 Ų117131.3 Ų131.363%0.62671%0.713SS**  trans-65.8144.4-150.7-145.216.2000115.9L779D777-L779 PolarHBondContact O-N 2.79Å
778P40.8Very low43Very low116 Ų116130.2 Ų130.275%0.75371%0.706SS**THydrogen-bonded Turntrans-66.87.8-172.3-24.636.5000118.4
779L41.3Very low45.1Very low142 Ų142131.2 Ų131.274%0.74370%0.7SS**THydrogen-bonded Turntrans-93.3-29.5-168.2-82.5158.3000115D777 A781D777-L779 PolarHBondContact O-N 2.79Å; L779-A781 VanDerWaalsContact C-N 3.28Å; L779-A781 PolarHBondContact O-N 2.96Å
780E39.4Very low46.7Very low166 Ų166128.4 Ų128.478%0.77668%0.68SS**  trans-90.741.6-178.4-80.1-60.3152.100114.2V782E780-V782 PolarHBondContact O-N 2.65Å; E780-V782 VanDerWaalsContact O-N 3.12Å
781A39.7Very low48.5Very low56 Ų56119.2 Ų119.246%0.46365%0.645SS.*THydrogen-bonded Turntrans-74.23.4-177.800000115L779L779-A781 VanDerWaalsContact C-N 3.28Å; L779-A781 PolarHBondContact O-N 2.96Å
782V41.4Very low51.3Low135 Ų135119.3 Ų119.382%0.81864%0.642SS**THydrogen-bonded Turntrans-103.90.9-167.4-174.60000113.6E780E780-V782 PolarHBondContact O-N 2.65Å; E780-V782 VanDerWaalsContact O-N 3.12Å
783Q38.9Very low54.1Low167 Ų167115.1 Ų115.178%0.7862%0.615SS**  trans-13763166.3-129.4171.57500114S785Q783-S785 PolarHBondContact O-N 2.76Å
784R38.4Very low56.8Low209 Ų209110.3 Ų110.379%0.78958%0.581SS**  trans-68.674.7153.6-71.6-172.3-17679.41.9109.6V786R784-V786 PolarHBondContact O-N 2.84Å
785S39.5Very low59.8Low78 Ų78105.7 Ų105.755%0.54556%0.558SS.*  trans-57.6123.3160.446.30000107.6Q783 C787Q783-S785 PolarHBondContact O-N 2.76Å; S785-C787 PolarHBondContact O-N 3.09Å
786V52.2Low62.3Low137 Ų137107.2 Ų107.283%0.8355%0.553SS**  trans-64.1107.3159.7175.40000104.5R784 P788R784-V786 PolarHBondContact O-N 2.84Å; V786-P788 VanDerWaalsContact O-CD 3.27Å; V786-P788 WeakPolarHBondContact O-CD 3.38Å
787C54.7Low65.1Low97 Ų97101.8 Ų101.866%0.65553%0.529SS*.  trans-47.8115.7-179.1-660000108.7S785 R789S785-C787 PolarHBondContact O-N 3.09Å; C787-R789 PolarHBondContact O-N 3.44Å
788P71Confident68.2Low80 Ų8096.2 Ų96.252%0.51950%0.499SS..  trans-56.3139.5-178.7-26.435.7000109.6V786 D790V786-P788 VanDerWaalsContact O-CD 3.27Å; V786-P788 WeakPolarHBondContact O-CD 3.38Å; P788-D790 HydrophobicContact CB-CB 4.28Å; P788-D790 PolarHBondContact O-N 3.32Å
789R81.7Confident70.9Confident152 Ų15294.1 Ų94.157%0.57448%0.479SS*.  trans-75.969.6164.2-67.5-167.8-179.7-1590.3108.2C787 W793 F794 S865C787-R789 PolarHBondContact O-N 3.44Å; R789-W793 HydrophobicContact CB-CD2 4.46Å; R789-W793 HydrophobicContact CB-CE3 4.1Å; R789-W793 HydrophobicContact CG-CD2 4Å; R789-W793 HydrophobicContact CG-CE3 3.9Å; R789-W793 HydrophobicContact CG-CG 4.48Å; R789-W793 HydrophobicContact CG-CZ3 4.28Å; R789-F794 HydrophobicContact CB-CE2 3.92Å; R789-F794 HydrophobicContact CB-CZ 4.33Å; R789-F794 WeakPolarHBondContact O-CE2 3.38Å; R789-S865 WeakPolarHBondContact O-CB 3.38Å; R789-S865 PolarHBondContact O-OG 3.26Å
790D87.8Confident73.5Confident42 Ų4289.2 Ų89.223%0.22546%0.459CS..  trans-89.2179.8175.164.616.4000110.6P788 H792 W793 F794 L855P788-D790 HydrophobicContact CB-CB 4.28Å; P788-D790 PolarHBondContact O-N 3.32Å; D790-H792 PolarHBondContact O-N 3.3Å; D790-H792 WeakPolarHBondContact OD1-CA 3.36Å; D790-H792 WeakPolarHBondContact OD1-CB 3.28Å; D790-H792 PolarHBondContact OD1-N 3.5Å; D790-H792 IonicContact OD2-CD2 3.47Å; D790-W793 PolarHBondContact O-N 3.11Å; D790-W793 VanDerWaalsContact O-N 3.15Å; D790-W793 PolarHBondContact OD1-N 3.07Å; D790-F794 VanDerWaalsContact O-CD2 3.27Å; D790-F794 WeakPolarHBondContact O-CD2 3.48Å; D790-F794 PolarHBondContact O-N 3.4Å; D790-F794 VanDerWaalsContact O-N 3.12Å; D790-L855 HydrophobicContact CB-CD2 4.41Å
791G92.8Very high76.2Confident0 Ų082.2 Ų82.20%043%0.426CS..Hα-helixtrans-55.8-29.8175.500000113.5F794 L795 N854G791-F794 PolarHBondContact O-N 2.94Å; G791-L795 WeakPolarHBondContact O-CB 3.38Å; G791-L795 WeakPolarHBondContact O-CD1 3.35Å; G791-L795 WeakPolarHBondContact O-CG 3.34Å; G791-L795 PolarHBondContact O-N 2.76Å; G791-N854 PolarHBondContact N-OD1 2.84Å
792H94.8Very high79Confident113 Ų11382.1 Ų82.152%0.52341%0.414SS..Hα-helixtrans-68.8-40.4177.6-66.4-62000111.7D790 K796 L855D790-H792 PolarHBondContact O-N 3.3Å; D790-H792 WeakPolarHBondContact OD1-CA 3.36Å; D790-H792 WeakPolarHBondContact OD1-CB 3.28Å; D790-H792 PolarHBondContact OD1-N 3.5Å; D790-H792 IonicContact OD2-CD2 3.47Å; H792-K796 WeakPolarHBondContact O-CG 3.39Å; H792-K796 PolarHBondContact O-N 2.89Å; H792-L855 WeakPolarHBondContact CD2-CD2 3.49Å; H792-L855 WeakPolarHBondContact ND1-CD1 3.36Å
793W94.9Very high81.6Confident69 Ų6979.7 Ų79.726%0.26140%0.396SS..Hα-helixtrans-63.1-48.3174.1-173.281.2000111.4R789 D790 L795 K796 L797R789-W793 HydrophobicContact CB-CD2 4.46Å; R789-W793 HydrophobicContact CB-CE3 4.1Å; R789-W793 HydrophobicContact CG-CD2 4Å; R789-W793 HydrophobicContact CG-CE3 3.9Å; R789-W793 HydrophobicContact CG-CG 4.48Å; R789-W793 HydrophobicContact CG-CZ3 4.28Å; D790-W793 PolarHBondContact O-N 3.11Å; D790-W793 VanDerWaalsContact O-N 3.15Å; D790-W793 PolarHBondContact OD1-N 3.07Å; W793-L795 PolarHBondContact O-N 3.02Å; W793-K796 PolarHBondContact O-N 2.88Å; W793-L797 HydrophobicContact CH2-CD2 3.57Å; W793-L797 HydrophobicContact CZ2-CD2 4.22Å; W793-L797 HydrophobicContact CZ3-CD2 3.78Å; W793-L797 PolarHBondContact O-N 2.96Å
794F96.4Very high84.4Confident2 Ų275 Ų751%0.00937%0.371CS..Hα-helixtrans-67.2-34.9179.8-77.1-70.7000113.3R789 D790 G791 L797 L798 F847 C851 L868 A869 W872R789-F794 HydrophobicContact CB-CE2 3.92Å; R789-F794 HydrophobicContact CB-CZ 4.33Å; R789-F794 WeakPolarHBondContact O-CE2 3.38Å; D790-F794 VanDerWaalsContact O-CD2 3.27Å; D790-F794 WeakPolarHBondContact O-CD2 3.48Å; D790-F794 PolarHBondContact O-N 3.4Å; D790-F794 VanDerWaalsContact O-N 3.12Å; G791-F794 PolarHBondContact O-N 2.94Å; F794-L797 PolarHBondContact O-N 3.13Å; F794-L798 WeakPolarHBondContact O-CB 3.43Å; F794-L798 PolarHBondContact O-N 3.13Å; F794-F847 HydrophobicContact CB-CE1 3.87Å; F794-F847 HydrophobicContact CB-CZ 3.89Å; F794-F847 HydrophobicContact CD1-CE1 4.06Å; F794-F847 AromaticContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CE1-CZ 4.31Å; F794-F847 HydrophobicContact CG-CE1 4.28Å; F794-F847 AromaticContact CG-CZ 3.86Å; F794-F847 HydrophobicContact CG-CZ 3.86Å; F794-C851 VanDerWaalsContact CB-SG 3.52Å; F794-L868 HydrophobicContact CD2-CB 3.62Å; F794-L868 HydrophobicContact CD2-CD1 3.61Å; F794-L868 HydrophobicContact CD2-CG 4.29Å; F794-L868 HydrophobicContact CE2-CB 3.5Å; F794-L868 HydrophobicContact CE2-CD1 4.2Å; F794-L868 HydrophobicContact CG-CB 4.25Å; F794-L868 HydrophobicContact CG-CD1 4.34Å; F794-L868 HydrophobicContact CZ-CB 4.05Å; F794-A869 HydrophobicContact CZ-CB 4Å; F794-W872 HydrophobicContact CD1-CB 4.04Å; F794-W872 HydrophobicContact CD1-CD2 4.4Å; F794-W872 HydrophobicContact CD1-CG 4.13Å; F794-W872 HydrophobicContact CE1-CB 3.62Å; F794-W872 AromaticContact CE1-CG 3.86Å; F794-W872 HydrophobicContact CE1-CG 3.86Å
795L96.5Very high87.2Confident40 Ų4065 Ų6521%0.20933%0.334CS..Hα-helixtrans-63.5-43174.8-77167.7000112.2G791 W793 Q799 R848 C851 L855G791-L795 WeakPolarHBondContact O-CB 3.38Å; G791-L795 WeakPolarHBondContact O-CD1 3.35Å; G791-L795 WeakPolarHBondContact O-CG 3.34Å; G791-L795 PolarHBondContact O-N 2.76Å; W793-L795 PolarHBondContact O-N 3.02Å; L795-Q799 WeakPolarHBondContact O-CB 3.47Å; L795-Q799 PolarHBondContact O-N 3.48Å; L795-R848 HydrophobicContact CD2-CB 4.3Å; L795-R848 HydrophobicContact CD2-CG 3.29Å; L795-C851 HydrophobicContact CD1-CB 4.29Å; L795-C851 HydrophobicContact CD2-CB 3.87Å; L795-C851 HydrophobicContact CG-CB 3.69Å; L795-L855 HydrophobicContact CD1-CD1 3.88Å
796K96.3Very high90Very high170 Ų17065.3 Ų65.374%0.73933%0.326SS*.Hα-helixtrans-62.5-45.1175.8-74.1-177.2175.9-171.70111.6H792 W793 Q799 A800H792-K796 WeakPolarHBondContact O-CG 3.39Å; H792-K796 PolarHBondContact O-N 2.89Å; W793-K796 PolarHBondContact O-N 2.88Å; K796-Q799 PolarHBondContact O-N 3.15Å; K796-A800 PolarHBondContact O-N 3.2Å; K796-A800 VanDerWaalsContact O-N 3.11Å
797L96.1Very high92.1Very high50 Ų5060 Ų6026%0.26230%0.3SS..Hα-helixtrans-66.2-42.6179.5-173.662000112.1W793 F794 Q799 A800 E801 W872W793-L797 HydrophobicContact CH2-CD2 3.57Å; W793-L797 HydrophobicContact CZ2-CD2 4.22Å; W793-L797 HydrophobicContact CZ3-CD2 3.78Å; W793-L797 PolarHBondContact O-N 2.96Å; F794-L797 PolarHBondContact O-N 3.13Å; L797-Q799 VanDerWaalsContact C-N 3.28Å; L797-Q799 PolarHBondContact O-N 3.34Å; L797-A800 PolarHBondContact O-N 3.07Å; L797-E801 WeakPolarHBondContact O-CB 3.35Å; L797-E801 PolarHBondContact O-N 3.37Å; L797-E801 VanDerWaalsContact O-N 3.08Å; L797-W872 HydrophobicContact CD1-CZ2 4.37Å; L797-W872 HydrophobicContact CD2-CD2 4.19Å; L797-W872 VanDerWaalsContact CD2-CE2 3.49Å; L797-W872 HydrophobicContact CD2-CH2 4.09Å; L797-W872 HydrophobicContact CD2-CZ2 3.44Å; L797-W872 VanDerWaalsContact CD2-CZ2 3.44Å; L797-W872 HydrophobicContact CG-CH2 3.75Å; L797-W872 HydrophobicContact CG-CZ2 3.52Å; L797-W872 HydrophobicContact CG-CZ3 4.48Å
798L97.2Very high94.2Very high0 Ų057 Ų570%028%0.275CS..Hα-helixtrans-61.5-34.8174.3-178.768.7000112.8F794 R802 F844 F847 R848 W872 L875F794-L798 WeakPolarHBondContact O-CB 3.43Å; F794-L798 PolarHBondContact O-N 3.13Å; L798-R802 PolarHBondContact O-N 3.1Å; L798-F844 HydrophobicContact CD1-CB 3.79Å; L798-F844 HydrophobicContact CD1-CD1 4.26Å; L798-F844 HydrophobicContact CD1-CD2 3.32Å; L798-F844 HydrophobicContact CD1-CE2 3.84Å; L798-F844 HydrophobicContact CD1-CG 3.54Å; L798-F844 HydrophobicContact CD1-CZ 4.48Å; L798-F844 HydrophobicContact CG-CB 4.46Å; L798-F844 HydrophobicContact CG-CD2 4.08Å; L798-F847 HydrophobicContact CB-CD1 4.39Å; L798-F847 HydrophobicContact CD1-CD1 3.91Å; L798-F847 HydrophobicContact CD2-CD1 3.96Å; L798-F847 HydrophobicContact CG-CD1 4.29Å; L798-R848 HydrophobicContact CD2-CB 3.68Å; L798-R848 HydrophobicContact CD2-CG 4.04Å; L798-W872 HydrophobicContact CB-CZ3 4.26Å; L798-W872 HydrophobicContact CD1-CZ3 4.05Å; L798-L875 HydrophobicContact CD1-CD2 3.81Å
799Q96.9Very high95.4Very high71 Ų7153.4 Ų53.433%0.33225%0.251SS..Hα-helixtrans-69.1-53.7177.9-174.956.648.800110.6L795 K796 L797 E801 R802 D803L795-Q799 WeakPolarHBondContact O-CB 3.47Å; L795-Q799 PolarHBondContact O-N 3.48Å; K796-Q799 PolarHBondContact O-N 3.15Å; L797-Q799 VanDerWaalsContact C-N 3.28Å; L797-Q799 PolarHBondContact O-N 3.34Å; Q799-E801 PolarHBondContact O-N 3.01Å; Q799-R802 WeakPolarHBondContact O-CA 3.4Å; Q799-R802 WeakPolarHBondContact O-CB 3.41Å; Q799-R802 PolarHBondContact O-N 3.41Å; Q799-R802 VanDerWaalsContact OE1-CZ 3.24Å; Q799-D803 PolarHBondContact NE2-OD1 3.3Å; Q799-D803 PolarHBondContact NE2-OD2 2.88Å; Q799-D803 VanDerWaalsContact O-CG 3.27Å; Q799-D803 PolarHBondContact O-N 2.83Å; Q799-D803 VanDerWaalsContact O-OD2 3.07Å
800A96.6Very high96.2Very high39 Ų3950.7 Ų50.732%0.32225%0.245SC..Hα-helixtrans-56-38.5177.600000112.8K796 L797 D803 R804K796-A800 PolarHBondContact O-N 3.2Å; K796-A800 VanDerWaalsContact O-N 3.11Å; L797-A800 PolarHBondContact O-N 3.07Å; A800-D803 PolarHBondContact O-N 3.42Å; A800-R804 WeakPolarHBondContact O-CB 3.45Å; A800-R804 PolarHBondContact O-N 3.28Å
801E96.8Very high96.6Very high19 Ų1949.8 Ų49.89%0.08924%0.239CC..Hα-helixtrans-73.4-28.5176.6-171.356.6-120.100113.2L797 Q799 R804 M805 F844 W872 I879L797-E801 WeakPolarHBondContact O-CB 3.35Å; L797-E801 PolarHBondContact O-N 3.37Å; L797-E801 VanDerWaalsContact O-N 3.08Å; Q799-E801 PolarHBondContact O-N 3.01Å; E801-R804 VanDerWaalsContact CD-NH2 3.35Å; E801-R804 IonicContact OE1-CZ 3.22Å; E801-R804 IonicContact OE1-NE 2.89Å; E801-R804 PolarHBondContact OE1-NE 3.38Å; E801-R804 IonicContact OE1-NH2 3.92Å; E801-R804 PolarHBondContact OE1-NH2 2.76Å; E801-R804 IonicContact OE2-CZ 3.57Å; E801-R804 IonicContact OE2-NE 3.3Å; E801-R804 PolarHBondContact OE2-NE 2.87Å; E801-R804 IonicContact OE2-NH2 3.78Å; E801-R804 PolarHBondContact OE2-NH2 2.87Å; E801-M805 WeakPolarHBondContact O-CB 3.45Å; E801-M805 PolarHBondContact O-N 2.73Å; E801-F844 HydrophobicContact CB-CE2 4.25Å; E801-F844 HydrophobicContact CG-CE2 4.14Å; E801-F844 HydrophobicContact CG-CZ 3.93Å; E801-W872 HydrophobicContact CB-CH2 4.22Å; E801-W872 HydrophobicContact CG-CH2 4.4Å; E801-I879 HydrophobicContact CG-CD1 3.6Å; E801-I879 HydrophobicContact CG-CG1 4.19Å; E801-I879 HydrophobicContact CG-CG2 4.16Å; E801-I879 VanDerWaalsContact OE1-CG2 3.28Å; E801-I879 WeakPolarHBondContact OE1-CG2 3.36Å
802R97.3Very high96.7Very high55 Ų5549.8 Ų49.821%0.20824%0.239CC..Hα-helixtrans-66.6-50.5170.5-168.9-170.2-52.5127.226.7109.7L798 Q799 R804 M805 E806 M840 F844L798-R802 PolarHBondContact O-N 3.1Å; Q799-R802 WeakPolarHBondContact O-CA 3.4Å; Q799-R802 WeakPolarHBondContact O-CB 3.41Å; Q799-R802 PolarHBondContact O-N 3.41Å; Q799-R802 VanDerWaalsContact OE1-CZ 3.24Å; R802-R804 VanDerWaalsContact C-N 3.28Å; R802-R804 PolarHBondContact O-N 3.17Å; R802-M805 PolarHBondContact O-N 2.84Å; R802-M805 VanDerWaalsContact O-N 3.15Å; R802-E806 VanDerWaalsContact O-CB 3.28Å; R802-E806 WeakPolarHBondContact O-CB 3.44Å; R802-E806 PolarHBondContact O-N 3.15Å; R802-M840 HydrophobicContact CB-SD 4.48Å; R802-M840 HydrophobicContact CG-CG 4.27Å; R802-M840 HydrophobicContact CG-SD 3.58Å; R802-M840 VanDerWaalsContact CG-SD 3.58Å; R802-F844 HydrophobicContact CB-CD2 3.99Å; R802-F844 HydrophobicContact CB-CE2 4.1Å; R802-F844 HydrophobicContact CG-CD2 4.39Å
803D97.6Very high96.7Very high84 Ų8447.4 Ų47.445%0.44923%0.229SC..Hα-helixtrans-62.6-38.6-174.6-58.7-34000110.9Q799 A800 G807Q799-D803 PolarHBondContact NE2-OD1 3.3Å; Q799-D803 PolarHBondContact NE2-OD2 2.88Å; Q799-D803 VanDerWaalsContact O-CG 3.27Å; Q799-D803 PolarHBondContact O-N 2.83Å; Q799-D803 VanDerWaalsContact O-OD2 3.07Å; A800-D803 PolarHBondContact O-N 3.42Å; D803-G807 PolarHBondContact O-N 3.16Å
804R97.3Very high96.8Very high68 Ų6848.4 Ų48.426%0.25723%0.232SC..Hα-helixtrans-59.2-52.5171.3-171.2178.480.9120.8-0.3112.7A800 E801 R802 G807 W808A800-R804 WeakPolarHBondContact O-CB 3.45Å; A800-R804 PolarHBondContact O-N 3.28Å; E801-R804 VanDerWaalsContact CD-NH2 3.35Å; E801-R804 IonicContact OE1-CZ 3.22Å; E801-R804 IonicContact OE1-NE 2.89Å; E801-R804 PolarHBondContact OE1-NE 3.38Å; E801-R804 IonicContact OE1-NH2 3.92Å; E801-R804 PolarHBondContact OE1-NH2 2.76Å; E801-R804 IonicContact OE2-CZ 3.57Å; E801-R804 IonicContact OE2-NE 3.3Å; E801-R804 PolarHBondContact OE2-NE 2.87Å; E801-R804 IonicContact OE2-NH2 3.78Å; E801-R804 PolarHBondContact OE2-NH2 2.87Å; R802-R804 VanDerWaalsContact C-N 3.28Å; R802-R804 PolarHBondContact O-N 3.17Å; R804-G807 PolarHBondContact O-N 2.96Å; R804-W808 HydrophobicContact CG-CZ2 4.31Å; R804-W808 PolarHBondContact O-N 2.79Å; R804-W808 VanDerWaalsContact O-N 3.13Å
805M97.4Very high96.6Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-75-27.9-176.1178.8162.739.200112.9E801 R802 W808 C809 A836 L839 M840 F844 I879 I882E801-M805 WeakPolarHBondContact O-CB 3.45Å; E801-M805 PolarHBondContact O-N 2.73Å; R802-M805 PolarHBondContact O-N 2.84Å; R802-M805 VanDerWaalsContact O-N 3.15Å; M805-W808 HydrophobicContact CB-CE3 4.38Å; M805-W808 HydrophobicContact CG-CE3 4.48Å; M805-C809 PolarHBondContact O-N 3.02Å; M805-C809 VanDerWaalsContact O-N 3.07Å; M805-C809 PolarHBondContact O-SG 3.2Å; M805-A836 HydrophobicContact CG-CB 3.71Å; M805-A836 HydrophobicContact SD-CB 3.69Å; M805-L839 HydrophobicContact CE-CD2 4.29Å; M805-M840 HydrophobicContact CB-SD 4.18Å; M805-M840 HydrophobicContact CE-CG 3.72Å; M805-M840 HydrophobicContact CE-SD 4.14Å; M805-M840 HydrophobicContact CG-CE 4.26Å; M805-M840 HydrophobicContact CG-SD 4.12Å; M805-F844 HydrophobicContact CE-CE1 3.61Å; M805-F844 HydrophobicContact CE-CE2 3.91Å; M805-F844 HydrophobicContact CE-CZ 3.2Å; M805-I879 HydrophobicContact CE-CG1 4.33Å; M805-I882 HydrophobicContact SD-CD1 4.41Å; M805-I882 HydrophobicContact SD-CG2 3.84Å
806E97.8Very high96.3Very high83 Ų8349.6 Ų49.639%0.38824%0.237SC..Hα-helixtrans-70.9-40.5170.9-169.1169.7158.200111.1R802 W808 C809 Q810 M840R802-E806 VanDerWaalsContact O-CB 3.28Å; R802-E806 WeakPolarHBondContact O-CB 3.44Å; R802-E806 PolarHBondContact O-N 3.15Å; E806-W808 VanDerWaalsContact C-N 3.33Å; E806-W808 PolarHBondContact O-N 2.67Å; E806-C809 WeakPolarHBondContact O-CB 3.42Å; E806-C809 PolarHBondContact O-N 3.28Å; E806-C809 VanDerWaalsContact O-N 3.13Å; E806-Q810 WeakPolarHBondContact O-CG 3.43Å; E806-Q810 PolarHBondContact O-N 3.25Å; E806-Q810 PolarHBondContact OE1-NE2 3.02Å; E806-M840 HydrophobicContact CB-CE 4.3Å; E806-M840 HydrophobicContact CB-SD 4.33Å
807G97.3Very high96.1Very high27 Ų2749.3 Ų49.328%0.27823%0.231SC..Hα-helixtrans-56.8-43.4170.500000112.9D803 R804 Q810 Q811D803-G807 PolarHBondContact O-N 3.16Å; R804-G807 PolarHBondContact O-N 2.96Å; G807-Q810 PolarHBondContact O-N 2.93Å; G807-Q811 WeakPolarHBondContact O-CB 3.44Å; G807-Q811 PolarHBondContact O-N 2.61Å
808W97.3Very high95.8Very high34 Ų3453 Ų5313%0.12925%0.247CC..Hα-helixtrans-62.5-41.1172.7-67.5-19.1000113.4R804 M805 E806 Q811 M812 S883 F886R804-W808 HydrophobicContact CG-CZ2 4.31Å; R804-W808 PolarHBondContact O-N 2.79Å; R804-W808 VanDerWaalsContact O-N 3.13Å; M805-W808 HydrophobicContact CB-CE3 4.38Å; M805-W808 HydrophobicContact CG-CE3 4.48Å; E806-W808 VanDerWaalsContact C-N 3.33Å; E806-W808 PolarHBondContact O-N 2.67Å; W808-Q811 PolarHBondContact O-N 2.85Å; W808-M812 PolarHBondContact O-N 2.99Å; W808-S883 WeakPolarHBondContact CH2-OG 3.15Å; W808-F886 HydrophobicContact CB-CD1 3.85Å; W808-F886 HydrophobicContact CB-CD2 4.13Å; W808-F886 HydrophobicContact CB-CE1 3.78Å; W808-F886 HydrophobicContact CB-CE2 4.05Å; W808-F886 HydrophobicContact CB-CG 4.03Å; W808-F886 HydrophobicContact CB-CZ 3.88Å; W808-F886 HydrophobicContact CD2-CB 4.4Å; W808-F886 HydrophobicContact CD2-CD2 4.14Å; W808-F886 HydrophobicContact CD2-CG 4.26Å; W808-F886 HydrophobicContact CE3-CB 4.3Å; W808-F886 AromaticContact CE3-CD2 3.48Å; W808-F886 HydrophobicContact CE3-CD2 3.48Å; W808-F886 VanDerWaalsContact CE3-CD2 3.48Å; W808-F886 AromaticContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CG 4.02Å; W808-F886 HydrophobicContact CG-CD2 4.47Å; W808-F886 HydrophobicContact CG-CG 4.34Å; W808-F886 HydrophobicContact CZ3-CD2 4.11Å; W808-F886 WeakPolarHBondContact O-CE1 3.5Å
809C97.8Very high95.1Very high3 Ų355.7 Ų55.72%0.0226%0.261CS..Hα-helixtrans-59.8-53.4173.8-71.90000111.1M805 E806 Q811 M812 E813 V833 A836M805-C809 PolarHBondContact O-N 3.02Å; M805-C809 VanDerWaalsContact O-N 3.07Å; M805-C809 PolarHBondContact O-SG 3.2Å; E806-C809 WeakPolarHBondContact O-CB 3.42Å; E806-C809 PolarHBondContact O-N 3.28Å; E806-C809 VanDerWaalsContact O-N 3.13Å; C809-Q811 VanDerWaalsContact C-N 3.28Å; C809-Q811 PolarHBondContact O-N 3.39Å; C809-M812 PolarHBondContact O-N 2.65Å; C809-E813 WeakPolarHBondContact O-CB 3.41Å; C809-E813 WeakPolarHBondContact O-CG 3.38Å; C809-E813 PolarHBondContact O-N 3.39Å; C809-V833 HydrophobicContact CB-CG1 4.14Å; C809-A836 VanDerWaalsContact SG-CB 3.52Å
810Q97.3Very high94.7Very high95 Ų9560.7 Ų60.744%0.44429%0.29SS..Hα-helixtrans-59.9-38-179.7-68-179.420.900111.9E806 G807 R814E806-Q810 WeakPolarHBondContact O-CG 3.43Å; E806-Q810 PolarHBondContact O-N 3.25Å; E806-Q810 PolarHBondContact OE1-NE2 3.02Å; G807-Q810 PolarHBondContact O-N 2.93Å; Q810-R814 VanDerWaalsContact O-CB 3.29Å; Q810-R814 WeakPolarHBondContact O-CB 3.28Å; Q810-R814 PolarHBondContact O-N 3.27Å
811Q95.9Very high94.3Very high23 Ų2359.7 Ų59.711%0.10728%0.279CS..Hα-helixtrans-63.4-53.1174.7-173.265.937.400111.4G807 W808 C809 E813 R814 E815G807-Q811 WeakPolarHBondContact O-CB 3.44Å; G807-Q811 PolarHBondContact O-N 2.61Å; W808-Q811 PolarHBondContact O-N 2.85Å; C809-Q811 VanDerWaalsContact C-N 3.28Å; C809-Q811 PolarHBondContact O-N 3.39Å; Q811-E813 PolarHBondContact O-N 2.9Å; Q811-R814 WeakPolarHBondContact O-CA 3.35Å; Q811-R814 VanDerWaalsContact O-CB 3.3Å; Q811-R814 WeakPolarHBondContact O-CB 3.46Å; Q811-R814 PolarHBondContact O-N 3.11Å; Q811-R814 VanDerWaalsContact O-N 3.08Å; Q811-E815 PolarHBondContact NE2-OE1 2.71Å; Q811-E815 WeakPolarHBondContact O-CG 3.42Å; Q811-E815 PolarHBondContact O-N 3.48Å
812M95.7Very high94Very high0 Ų062 Ų620%030%0.296CS..Hα-helixtrans-68.9-33.8-177.4-67.2-6310200113W808 C809 R814 E815 E816 I829 V833 F886 L889 W897W808-M812 PolarHBondContact O-N 2.99Å; C809-M812 PolarHBondContact O-N 2.65Å; M812-R814 VanDerWaalsContact C-N 3.28Å; M812-R814 PolarHBondContact O-N 3.3Å; M812-E815 HydrophobicContact CE-CG 3.86Å; M812-E815 PolarHBondContact O-N 3.4Å; M812-E816 PolarHBondContact O-N 3.5Å; M812-I829 HydrophobicContact CB-CG2 4.02Å; M812-V833 HydrophobicContact CB-CG2 3.93Å; M812-F886 HydrophobicContact CB-CE1 4.23Å; M812-F886 HydrophobicContact CG-CD1 3.66Å; M812-F886 HydrophobicContact CG-CE1 3.65Å; M812-L889 HydrophobicContact CG-CD1 4.11Å; M812-L889 HydrophobicContact SD-CB 3.68Å; M812-L889 HydrophobicContact SD-CD1 4.08Å; M812-L889 HydrophobicContact SD-CG 4.42Å; M812-W897 HydrophobicContact SD-CH2 4.37Å
813E95.5Very high93.7Very high64 Ų6465.1 Ų65.130%0.29931%0.313SS..Hα-helixtrans-66.2-29.7169.9-72.8-178.2178.300112.5C809 Q811 R817 V833 Q837C809-E813 WeakPolarHBondContact O-CB 3.41Å; C809-E813 WeakPolarHBondContact O-CG 3.38Å; C809-E813 PolarHBondContact O-N 3.39Å; Q811-E813 PolarHBondContact O-N 2.9Å; E813-R817 VanDerWaalsContact O-CZ 3.31Å; E813-R817 PolarHBondContact O-N 3.17Å; E813-R817 PolarHBondContact O-NE 3.23Å; E813-R817 VanDerWaalsContact O-NE 3.16Å; E813-R817 PolarHBondContact O-NH2 2.88Å; E813-V833 HydrophobicContact CG-CG1 3.94Å; E813-V833 HydrophobicContact CG-CG2 4.45Å; E813-V833 WeakPolarHBondContact OE1-CG1 3.36Å; E813-Q837 PolarHBondContact OE1-NE2 3.42Å
814R95.1Very high93.5Very high90 Ų9066.2 Ų66.234%0.3432%0.319SS..Hα-helixtrans-68.7-45.8171-165.6-172.4-54.8117.60.8110.3Q810 Q811 M812 E816 R817 E818Q810-R814 VanDerWaalsContact O-CB 3.29Å; Q810-R814 WeakPolarHBondContact O-CB 3.28Å; Q810-R814 PolarHBondContact O-N 3.27Å; Q811-R814 WeakPolarHBondContact O-CA 3.35Å; Q811-R814 VanDerWaalsContact O-CB 3.3Å; Q811-R814 WeakPolarHBondContact O-CB 3.46Å; Q811-R814 PolarHBondContact O-N 3.11Å; Q811-R814 VanDerWaalsContact O-N 3.08Å; M812-R814 VanDerWaalsContact C-N 3.28Å; M812-R814 PolarHBondContact O-N 3.3Å; R814-E816 VanDerWaalsContact C-N 3.33Å; R814-E816 PolarHBondContact O-N 2.94Å; R814-R817 PolarHBondContact O-N 3.08Å; R814-R817 VanDerWaalsContact O-N 3.09Å; R814-E818 VanDerWaalsContact CD-OE1 3.28Å; R814-E818 WeakPolarHBondContact CD-OE1 3.41Å; R814-E818 HydrophobicContact CG-CG 4.27Å; R814-E818 WeakPolarHBondContact CG-OE1 3.4Å; R814-E818 WeakPolarHBondContact O-CB 3.43Å; R814-E818 PolarHBondContact O-N 3.21Å
815E92.3Very high93.3Very high13 Ų1363.1 Ų63.16%0.06131%0.307CS..Hα-helixtrans-58.7-41.1175.4-56.8-58.3152.500112.6Q811 M812 R817 N819 K893 W897Q811-E815 PolarHBondContact NE2-OE1 2.71Å; Q811-E815 WeakPolarHBondContact O-CG 3.42Å; Q811-E815 PolarHBondContact O-N 3.48Å; M812-E815 HydrophobicContact CE-CG 3.86Å; M812-E815 PolarHBondContact O-N 3.4Å; E815-R817 VanDerWaalsContact C-N 3.32Å; E815-R817 PolarHBondContact O-N 3.23Å; E815-N819 WeakPolarHBondContact CA-ND2 3.31Å; E815-N819 VanDerWaalsContact O-CB 3.31Å; E815-N819 WeakPolarHBondContact O-CB 3.35Å; E815-N819 PolarHBondContact O-N 3.03Å; E815-N819 PolarHBondContact O-ND2 2.99Å; E815-N819 PolarHBondContact OE2-ND2 2.8Å; E815-K893 HydrophobicContact CG-CD 4.42Å; E815-K893 VanDerWaalsContact OE1-CE 3.3Å; E815-K893 WeakPolarHBondContact OE1-CE 3.47Å; E815-K893 IonicContact OE1-NZ 2.66Å; E815-K893 PolarHBondContact OE1-NZ 3.18Å; E815-K893 IonicContact OE2-NZ 3.85Å; E815-W897 HydrophobicContact CB-CH2 3.93Å; E815-W897 HydrophobicContact CB-CZ2 3.63Å; E815-W897 HydrophobicContact CG-CH2 3.92Å; E815-W897 HydrophobicContact CG-CZ2 3.63Å
816E91.7Very high93.1Very high53 Ų5364 Ų6425%0.24831%0.312CS..Hα-helixtrans-64.4-31.2175.6163159.9-157.800113M812 R814 L826 I829 R830M812-E816 PolarHBondContact O-N 3.5Å; R814-E816 VanDerWaalsContact C-N 3.33Å; R814-E816 PolarHBondContact O-N 2.94Å; E816-L826 HydrophobicContact CB-CD2 3.98Å; E816-L826 HydrophobicContact CG-CD2 3.64Å; E816-I829 HydrophobicContact CB-CD1 4.39Å; E816-I829 HydrophobicContact CB-CG2 4.25Å; E816-R830 IonicContact OE1-CZ 3.92Å; E816-R830 IonicContact OE1-NE 2.73Å; E816-R830 PolarHBondContact OE1-NE 3.45Å; E816-R830 IonicContact OE1-NH2 3.87Å; E816-R830 PolarHBondContact OE1-NH2 3.17Å; E816-R830 IonicContact OE2-NE 2.76Å
817R90.4Very high93Very high165 Ų16561.4 Ų61.462%0.62331%0.307SS*.Hα-helixtrans-84.2-32.6177.6-79.3-179.8-80.5100.4-3.3113.9E813 R814 E815E813-R817 VanDerWaalsContact O-CZ 3.31Å; E813-R817 PolarHBondContact O-N 3.17Å; E813-R817 PolarHBondContact O-NE 3.23Å; E813-R817 VanDerWaalsContact O-NE 3.16Å; E813-R817 PolarHBondContact O-NH2 2.88Å; R814-R817 PolarHBondContact O-N 3.08Å; R814-R817 VanDerWaalsContact O-N 3.09Å; E815-R817 VanDerWaalsContact C-N 3.32Å; E815-R817 PolarHBondContact O-N 3.23Å
818E89.7Confident92.9Very high128 Ų12863.3 Ų63.360%0.59831%0.308SS*.Hα-helixtrans-94.9-28.2-173.2-71.2170.7-16800113.1R814R814-E818 VanDerWaalsContact CD-OE1 3.28Å; R814-E818 WeakPolarHBondContact CD-OE1 3.41Å; R814-E818 HydrophobicContact CG-CG 4.27Å; R814-E818 WeakPolarHBondContact CG-OE1 3.4Å; R814-E818 WeakPolarHBondContact O-CB 3.43Å; R814-E818 PolarHBondContact O-N 3.21Å
819N84.1Confident92.9Very high56 Ų5661.7 Ų61.730%0.29930%0.302SS..SBendtrans-105.6139.1178-55.5-95.8000111.2E815 L821E815-N819 WeakPolarHBondContact CA-ND2 3.31Å; E815-N819 VanDerWaalsContact O-CB 3.31Å; E815-N819 WeakPolarHBondContact O-CB 3.35Å; E815-N819 PolarHBondContact O-N 3.03Å; E815-N819 PolarHBondContact O-ND2 2.99Å; E815-N819 PolarHBondContact OE2-ND2 2.8Å; N819-L821 VanDerWaalsContact C-N 3.3Å; N819-L821 HydrophobicContact CB-CD1 4.45Å; N819-L821 HydrophobicContact CB-CD2 3.45Å; N819-L821 VanDerWaalsContact CB-CD2 3.45Å; N819-L821 HydrophobicContact CB-CG 3.72Å; N819-L821 PolarHBondContact O-N 2.94Å
820N87.4Confident92.8Very high175 Ų17567.1 Ų67.194%0.93632%0.322SS*.  trans-80.779.2169.2-75.9-99.7000109.6
821L89.3Confident92.8Very high18 Ų1866.8 Ų66.89%0.09433%0.327CS..  trans-79.8152.9-173.6-58.7179.7000113.2N819 I825 L826 I829 W897N819-L821 VanDerWaalsContact C-N 3.3Å; N819-L821 HydrophobicContact CB-CD1 4.45Å; N819-L821 HydrophobicContact CB-CD2 3.45Å; N819-L821 VanDerWaalsContact CB-CD2 3.45Å; N819-L821 HydrophobicContact CB-CG 3.72Å; N819-L821 PolarHBondContact O-N 2.94Å; L821-I825 HydrophobicContact CD1-CG2 4.12Å; L821-L826 HydrophobicContact CB-CD2 3.8Å; L821-L826 HydrophobicContact CB-CG 3.93Å; L821-L826 HydrophobicContact CD1-CD2 4.13Å; L821-L826 HydrophobicContact CG-CD2 4.39Å; L821-I829 HydrophobicContact CD1-CD1 3.4Å; L821-I829 VanDerWaalsContact CD1-CD1 3.4Å; L821-W897 HydrophobicContact CD1-CD2 4.42Å; L821-W897 HydrophobicContact CD1-CE3 4.47Å; L821-W897 HydrophobicContact CD1-CZ2 4.5Å; L821-W897 HydrophobicContact CD2-CB 3.79Å; L821-W897 VanDerWaalsContact CD2-CD1 3.44Å; L821-W897 HydrophobicContact CD2-CD2 3.47Å; L821-W897 VanDerWaalsContact CD2-CD2 3.47Å; L821-W897 HydrophobicContact CD2-CE3 4.15Å; L821-W897 HydrophobicContact CD2-CG 3.29Å
822P89.5Confident92.9Very high69 Ų6965.7 Ų65.745%0.44832%0.322SS..  trans-60.9145.1168.5-20.632.5000112.1D824 I825 L826P822-D824 PolarHBondContact O-N 3.05Å; P822-D824 VanDerWaalsContact O-N 3.17Å; P822-I825 HydrophobicContact CG-CD1 4.33Å; P822-I825 WeakPolarHBondContact O-CA 3.16Å; P822-I825 PolarHBondContact O-N 2.85Å; P822-L826 PolarHBondContact O-N 3.05Å
823E91.9Very high93Very high119 Ų11966 Ų6656%0.55632%0.324SS*.Hα-helixtrans-58.3-32.5-178.3-16961.5-14700112.9I825 L826 G827 R830E823-I825 PolarHBondContact O-N 2.74Å; E823-L826 PolarHBondContact O-N 2.85Å; E823-G827 PolarHBondContact O-N 3.19Å; E823-R830 IonicContact OE1-CZ 2.69Å; E823-R830 IonicContact OE1-NH1 3.16Å; E823-R830 PolarHBondContact OE1-NH1 2.84Å; E823-R830 IonicContact OE2-NH1 3.89Å
824D92.1Very high93.1Very high107 Ų10764.5 Ų64.557%0.57233%0.325SS*.Hα-helixtrans-58.5-35.9173-66.3-2.4000112.7P822 K828P822-D824 PolarHBondContact O-N 3.05Å; P822-D824 VanDerWaalsContact O-N 3.17Å; D824-K828 WeakPolarHBondContact O-CG 3.45Å; D824-K828 PolarHBondContact O-N 3Å
825I93.2Very high93.2Very high3 Ų361.5 Ų61.52%0.01532%0.318CS..Hα-helixtrans-84.1-39.4-179.2-62.9-173.7000110.1L821 P822 E823 G827 K828 I829 W897L821-I825 HydrophobicContact CD1-CG2 4.12Å; P822-I825 HydrophobicContact CG-CD1 4.33Å; P822-I825 WeakPolarHBondContact O-CA 3.16Å; P822-I825 PolarHBondContact O-N 2.85Å; E823-I825 PolarHBondContact O-N 2.74Å; I825-G827 VanDerWaalsContact C-N 3.27Å; I825-G827 PolarHBondContact O-N 3.06Å; I825-K828 PolarHBondContact O-N 3.44Å; I825-K828 VanDerWaalsContact O-N 3.1Å; I825-I829 HydrophobicContact CG2-CD1 4.18Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 2.92Å; I825-W897 HydrophobicContact CD1-CB 4.16Å; I825-W897 HydrophobicContact CD1-CE3 4.39Å; I825-W897 WeakPolarHBondContact CD1-O 3.49Å; I825-W897 HydrophobicContact CG2-CE3 3.68Å; I825-W897 HydrophobicContact CG2-CZ3 3.9Å
826L93.9Very high93.5Very high19 Ų1960.9 Ų60.910%0.09932%0.315CS..Hα-helixtrans-57.7-42.2169.3-64.2175.2000111.1E816 L821 P822 E823 K828 I829 R830E816-L826 HydrophobicContact CB-CD2 3.98Å; E816-L826 HydrophobicContact CG-CD2 3.64Å; L821-L826 HydrophobicContact CB-CD2 3.8Å; L821-L826 HydrophobicContact CB-CG 3.93Å; L821-L826 HydrophobicContact CD1-CD2 4.13Å; L821-L826 HydrophobicContact CG-CD2 4.39Å; P822-L826 PolarHBondContact O-N 3.05Å; E823-L826 PolarHBondContact O-N 2.85Å; L826-K828 PolarHBondContact O-N 3.32Å; L826-I829 PolarHBondContact O-N 2.66Å; L826-R830 WeakPolarHBondContact O-CB 3.48Å; L826-R830 WeakPolarHBondContact O-CG 3.41Å; L826-R830 PolarHBondContact O-N 3.21Å
827G95.3Very high93.8Very high28 Ų2862.2 Ų62.229%0.28932%0.321SS..Hα-helixtrans-59.4-41.3172.800000112.9E823 I825 T831E823-G827 PolarHBondContact O-N 3.19Å; I825-G827 VanDerWaalsContact C-N 3.27Å; I825-G827 PolarHBondContact O-N 3.06Å; G827-T831 WeakPolarHBondContact O-CB 3.41Å; G827-T831 PolarHBondContact O-N 2.89Å; G827-T831 PolarHBondContact O-OG1 3.28Å
828K95.5Very high94.2Very high68 Ų6858.8 Ų58.830%0.29632%0.315SS..Hα-helixtrans-67.7-44.1173.9-72.6178.6-174.8-169.30112.6D824 I825 L826 T831 A832 E888 L889 L892D824-K828 WeakPolarHBondContact O-CG 3.45Å; D824-K828 PolarHBondContact O-N 3Å; I825-K828 PolarHBondContact O-N 3.44Å; I825-K828 VanDerWaalsContact O-N 3.1Å; L826-K828 PolarHBondContact O-N 3.32Å; K828-T831 PolarHBondContact O-N 2.87Å; K828-A832 WeakPolarHBondContact O-CB 3.47Å; K828-A832 PolarHBondContact O-N 2.76Å; K828-E888 WeakPolarHBondContact CE-OE1 3.38Å; K828-E888 IonicContact NZ-OE1 2.85Å; K828-E888 PolarHBondContact NZ-OE1 2.8Å; K828-L889 HydrophobicContact CB-CD2 3.78Å; K828-L892 HydrophobicContact CD-CD1 4.01Å
829I96.4Very high94.6Very high0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-57.1-58.3175.6-72.3170.9000109.9M812 E816 L821 I825 L826 T831 A832 V833 L889 W897M812-I829 HydrophobicContact CB-CG2 4.02Å; E816-I829 HydrophobicContact CB-CD1 4.39Å; E816-I829 HydrophobicContact CB-CG2 4.25Å; L821-I829 HydrophobicContact CD1-CD1 3.4Å; L821-I829 VanDerWaalsContact CD1-CD1 3.4Å; I825-I829 HydrophobicContact CG2-CD1 4.18Å; I825-I829 WeakPolarHBondContact O-CG1 3.37Å; I825-I829 PolarHBondContact O-N 2.92Å; L826-I829 PolarHBondContact O-N 2.66Å; I829-T831 PolarHBondContact O-N 2.74Å; I829-A832 PolarHBondContact O-N 2.77Å; I829-V833 HydrophobicContact CG2-CG2 4.06Å; I829-V833 WeakPolarHBondContact O-CB 3.21Å; I829-V833 VanDerWaalsContact O-CG2 3.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.37Å; I829-V833 PolarHBondContact O-N 3.4Å; I829-L889 HydrophobicContact CG1-CD1 4.04Å; I829-L889 HydrophobicContact CG1-CD2 3.65Å; I829-L889 HydrophobicContact CG1-CG 4.47Å; I829-W897 HydrophobicContact CD1-CH2 4.48Å; I829-W897 HydrophobicContact CD1-CZ3 4.48Å
830R96.4Very high95.2Very high116 Ų11652 Ų5244%0.43828%0.282SS..Hα-helixtrans-57.7-34178.7-64.8167.4-169.5154.45112.5E816 E823 L826 G834E816-R830 IonicContact OE1-CZ 3.92Å; E816-R830 IonicContact OE1-NE 2.73Å; E816-R830 PolarHBondContact OE1-NE 3.45Å; E816-R830 IonicContact OE1-NH2 3.87Å; E816-R830 PolarHBondContact OE1-NH2 3.17Å; E816-R830 IonicContact OE2-NE 2.76Å; E823-R830 IonicContact OE1-CZ 2.69Å; E823-R830 IonicContact OE1-NH1 3.16Å; E823-R830 PolarHBondContact OE1-NH1 2.84Å; E823-R830 IonicContact OE2-NH1 3.89Å; L826-R830 WeakPolarHBondContact O-CB 3.48Å; L826-R830 WeakPolarHBondContact O-CG 3.41Å; L826-R830 PolarHBondContact O-N 3.21Å; R830-G834 WeakPolarHBondContact O-CA 3.27Å; R830-G834 PolarHBondContact O-N 3.15Å
831T97.6Very high95.6Very high88 Ų8847.1 Ų47.154%0.5427%0.266SS..Hα-helixtrans-74.6-34.1176.3-61.90000113.4G827 K828 I829 S835G827-T831 WeakPolarHBondContact O-CB 3.41Å; G827-T831 PolarHBondContact O-N 2.89Å; G827-T831 PolarHBondContact O-OG1 3.28Å; K828-T831 PolarHBondContact O-N 2.87Å; I829-T831 PolarHBondContact O-N 2.74Å; T831-S835 VanDerWaalsContact O-CB 3.29Å; T831-S835 WeakPolarHBondContact O-CB 3.39Å; T831-S835 PolarHBondContact O-N 3.45Å; T831-S835 PolarHBondContact O-OG 2.84Å
832A97.8Very high96Very high1 Ų151 Ų511%0.00828%0.284CS..Hα-helixtrans-72.5-60.6174.400000110.1K828 I829 G834 S835 A836 K885 F886 L889K828-A832 WeakPolarHBondContact O-CB 3.47Å; K828-A832 PolarHBondContact O-N 2.76Å; I829-A832 PolarHBondContact O-N 2.77Å; A832-G834 PolarHBondContact O-N 3.13Å; A832-S835 PolarHBondContact O-N 2.78Å; A832-S835 PolarHBondContact O-OG 3.04Å; A832-A836 PolarHBondContact O-N 2.84Å; A832-K885 HydrophobicContact CB-CB 3.85Å; A832-K885 HydrophobicContact CB-CD 4.23Å; A832-F886 HydrophobicContact CB-CE1 4.31Å; A832-F886 HydrophobicContact CB-CZ 4.36Å; A832-L889 HydrophobicContact CB-CD1 3.59Å
833V98Very high96.3Very high6 Ų652.5 Ų52.54%0.03628%0.283CS..Hα-helixtrans-54.4-51.3179.3175.10000111.3C809 M812 E813 I829 S835 A836 Q837 F886C809-V833 HydrophobicContact CB-CG1 4.14Å; M812-V833 HydrophobicContact CB-CG2 3.93Å; E813-V833 HydrophobicContact CG-CG1 3.94Å; E813-V833 HydrophobicContact CG-CG2 4.45Å; E813-V833 WeakPolarHBondContact OE1-CG1 3.36Å; I829-V833 HydrophobicContact CG2-CG2 4.06Å; I829-V833 WeakPolarHBondContact O-CB 3.21Å; I829-V833 VanDerWaalsContact O-CG2 3.31Å; I829-V833 WeakPolarHBondContact O-CG2 3.37Å; I829-V833 PolarHBondContact O-N 3.4Å; V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 PolarHBondContact O-N 3.21Å; V833-A836 WeakPolarHBondContact O-CB 3.33Å; V833-A836 PolarHBondContact O-N 3.31Å; V833-A836 VanDerWaalsContact O-N 3.1Å; V833-Q837 HydrophobicContact CG1-CG 4.31Å; V833-Q837 WeakPolarHBondContact O-CB 3.42Å; V833-Q837 WeakPolarHBondContact O-CG 3.27Å; V833-Q837 PolarHBondContact O-N 2.78Å; V833-F886 HydrophobicContact CG2-CE1 4.16Å; V833-F886 HydrophobicContact CG2-CZ 4.32Å
834G97.8Very high96.6Very high32 Ų3246.9 Ų46.933%0.3326%0.257SS..Hα-helixtrans-62.3-32.5178.500000113.2R830 A832 L838R830-G834 WeakPolarHBondContact O-CA 3.27Å; R830-G834 PolarHBondContact O-N 3.15Å; A832-G834 PolarHBondContact O-N 3.13Å; G834-L838 WeakPolarHBondContact O-CB 3.19Å; G834-L838 PolarHBondContact O-N 3.32Å
835S97.8Very high96.8Very high27 Ų2747 Ų4719%0.18925%0.25CC..Hα-helixtrans-75.2-33.2174.271.60000113.4T831 A832 V833 L839 I882 K885T831-S835 VanDerWaalsContact O-CB 3.29Å; T831-S835 WeakPolarHBondContact O-CB 3.39Å; T831-S835 PolarHBondContact O-N 3.45Å; T831-S835 PolarHBondContact O-OG 2.84Å; A832-S835 PolarHBondContact O-N 2.78Å; A832-S835 PolarHBondContact O-OG 3.04Å; V833-S835 VanDerWaalsContact C-N 3.27Å; V833-S835 PolarHBondContact O-N 3.21Å; S835-L839 WeakPolarHBondContact O-CB 3.49Å; S835-L839 PolarHBondContact O-N 3.38Å; S835-I882 WeakPolarHBondContact O-CD1 3.33Å; S835-K885 VanDerWaalsContact CB-NZ 3.35Å; S835-K885 PolarHBondContact OG-NZ 2.96Å
836A98.1Very high96.9Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-68.3-51.4175.200000111.3M805 C809 A832 V833 L838 L839 M840 I882 F886M805-A836 HydrophobicContact CG-CB 3.71Å; M805-A836 HydrophobicContact SD-CB 3.69Å; C809-A836 VanDerWaalsContact SG-CB 3.52Å; A832-A836 PolarHBondContact O-N 2.84Å; V833-A836 WeakPolarHBondContact O-CB 3.33Å; V833-A836 PolarHBondContact O-N 3.31Å; V833-A836 VanDerWaalsContact O-N 3.1Å; A836-L838 VanDerWaalsContact C-N 3.3Å; A836-L838 PolarHBondContact O-N 3.38Å; A836-L839 PolarHBondContact O-N 2.93Å; A836-L839 VanDerWaalsContact O-N 3.12Å; A836-M840 WeakPolarHBondContact O-CG 3.36Å; A836-M840 PolarHBondContact O-N 2.81Å; A836-I882 HydrophobicContact CB-CG2 3.87Å; A836-F886 HydrophobicContact CB-CE2 3.9Å; A836-F886 HydrophobicContact CB-CZ 4.12Å
837Q97.8Very high97.1Very high82 Ų8250.2 Ų50.238%0.38326%0.264SS..Hα-helixtrans-57.4-41.4174.1-71.5170.9-10.600111.6E813 V833 M840 A841E813-Q837 PolarHBondContact OE1-NE2 3.42Å; V833-Q837 HydrophobicContact CG1-CG 4.31Å; V833-Q837 WeakPolarHBondContact O-CB 3.42Å; V833-Q837 WeakPolarHBondContact O-CG 3.27Å; V833-Q837 PolarHBondContact O-N 2.78Å; Q837-M840 HydrophobicContact CG-CE 4.49Å; Q837-M840 PolarHBondContact O-N 3.12Å; Q837-A841 WeakPolarHBondContact O-CB 3.46Å; Q837-A841 PolarHBondContact O-N 3.2Å
838L97.9Very high97.2Very high93 Ų9351.7 Ų51.749%0.48726%0.261SS..Hα-helixtrans-65.5-40.6175.2-171.468.1000112.5G834 A836 Q842G834-L838 WeakPolarHBondContact O-CB 3.19Å; G834-L838 PolarHBondContact O-N 3.32Å; A836-L838 VanDerWaalsContact C-N 3.3Å; A836-L838 PolarHBondContact O-N 3.38Å; L838-Q842 HydrophobicContact CD1-CG 4.07Å; L838-Q842 WeakPolarHBondContact O-CB 3.37Å; L838-Q842 PolarHBondContact O-N 2.91Å
839L97.8Very high97.2Very high19 Ų1952 Ų5210%0.09926%0.263CS..Iπ-helixtrans-65-41.4176.7-167.171.5000111.1M805 S835 A836 K843 F844 L875 I879 I882M805-L839 HydrophobicContact CE-CD2 4.29Å; S835-L839 WeakPolarHBondContact O-CB 3.49Å; S835-L839 PolarHBondContact O-N 3.38Å; A836-L839 PolarHBondContact O-N 2.93Å; A836-L839 VanDerWaalsContact O-N 3.12Å; L839-K843 HydrophobicContact CD1-CB 3.71Å; L839-K843 HydrophobicContact CD1-CG 3.81Å; L839-K843 HydrophobicContact CG-CB 4.26Å; L839-K843 WeakPolarHBondContact O-CA 3.42Å; L839-K843 WeakPolarHBondContact O-CB 3.24Å; L839-K843 PolarHBondContact O-N 3.01Å; L839-F844 HydrophobicContact CD2-CE1 3.86Å; L839-F844 HydrophobicContact CG-CD1 4.18Å; L839-F844 HydrophobicContact CG-CE1 3.94Å; L839-F844 WeakPolarHBondContact O-CD1 3.05Å; L839-F844 PolarHBondContact O-N 2.91Å; L839-L875 HydrophobicContact CD1-CD1 4.17Å; L839-L875 HydrophobicContact CD2-CD1 4.39Å; L839-L875 HydrophobicContact CG-CD1 4.27Å; L839-I879 HydrophobicContact CD2-CG1 3.97Å; L839-I882 HydrophobicContact CB-CD1 3.91Å; L839-I882 HydrophobicContact CD2-CD1 3.71Å; L839-I882 HydrophobicContact CG-CD1 4.37Å
840M97.8Very high97.2Very high23 Ų2353.6 Ų53.611%0.11327%0.272CS..Iπ-helixtrans-67.7-48.7176.2-66-173.7-67.200111.9R802 M805 E806 A836 Q837 Q842 F844 Y845R802-M840 HydrophobicContact CB-SD 4.48Å; R802-M840 HydrophobicContact CG-CG 4.27Å; R802-M840 HydrophobicContact CG-SD 3.58Å; R802-M840 VanDerWaalsContact CG-SD 3.58Å; M805-M840 HydrophobicContact CB-SD 4.18Å; M805-M840 HydrophobicContact CE-CG 3.72Å; M805-M840 HydrophobicContact CE-SD 4.14Å; M805-M840 HydrophobicContact CG-CE 4.26Å; M805-M840 HydrophobicContact CG-SD 4.12Å; E806-M840 HydrophobicContact CB-CE 4.3Å; E806-M840 HydrophobicContact CB-SD 4.33Å; A836-M840 WeakPolarHBondContact O-CG 3.36Å; A836-M840 PolarHBondContact O-N 2.81Å; Q837-M840 HydrophobicContact CG-CE 4.49Å; Q837-M840 PolarHBondContact O-N 3.12Å; M840-Q842 VanDerWaalsContact C-N 3.31Å; M840-Q842 PolarHBondContact O-N 3.48Å; M840-F844 HydrophobicContact CB-CG 4.49Å; M840-F844 HydrophobicContact CG-CD1 4.42Å; M840-F844 HydrophobicContact CG-CD2 4.21Å; M840-F844 HydrophobicContact CG-CE2 4.37Å; M840-F844 HydrophobicContact CG-CG 4.26Å; M840-F844 WeakPolarHBondContact O-CB 3.36Å; M840-Y845 PolarHBondContact O-N 3.15Å
841A96.5Very high97.1Very high71 Ų7148.1 Ų48.159%0.58725%0.251SS*.Iπ-helixtrans-65.4-29.8-178.600000113.7Q837 Y845Q837-A841 WeakPolarHBondContact O-CB 3.46Å; Q837-A841 PolarHBondContact O-N 3.2Å; A841-Y845 WeakPolarHBondContact O-CB 3.2Å
842Q96.2Very high97Very high101 Ų10148.2 Ų48.247%0.47225%0.246SC..Iπ-helixtrans-106.2-56.8-178.5-61.8-170.3-10.300113.5L838 M840 Q846L838-Q842 HydrophobicContact CD1-CG 4.07Å; L838-Q842 WeakPolarHBondContact O-CB 3.37Å; L838-Q842 PolarHBondContact O-N 2.91Å; M840-Q842 VanDerWaalsContact C-N 3.31Å; M840-Q842 PolarHBondContact O-N 3.48Å; Q842-Q846 WeakPolarHBondContact O-CB 3.33Å; Q842-Q846 VanDerWaalsContact O-CD 3.27Å; Q842-Q846 WeakPolarHBondContact O-CG 3.5Å; Q842-Q846 PolarHBondContact O-N 2.89Å
843K96.6Very high96.9Very high100 Ų10052.3 Ų52.344%0.43527%0.265SS..Iπ-helixtrans-86.2-37-168.9-72.4-73.1166.1-159.70113.2L839 Y845 Q846 F847 L875L839-K843 HydrophobicContact CD1-CB 3.71Å; L839-K843 HydrophobicContact CD1-CG 3.81Å; L839-K843 HydrophobicContact CG-CB 4.26Å; L839-K843 WeakPolarHBondContact O-CA 3.42Å; L839-K843 WeakPolarHBondContact O-CB 3.24Å; L839-K843 PolarHBondContact O-N 3.01Å; K843-Y845 VanDerWaalsContact C-N 3.32Å; K843-Q846 PolarHBondContact O-N 3.32Å; K843-F847 WeakPolarHBondContact O-CB 3.46Å; K843-F847 PolarHBondContact O-N 2.9Å; K843-L875 HydrophobicContact CB-CD1 3.68Å
844F97.6Very high96.7Very high1 Ų152.4 Ų52.40%0.00427%0.265CS..Iπ-helixtrans-68.6-39.4172.3-71.940.4000109.6L798 E801 R802 M805 L839 M840 F847 R848 L875 I879L798-F844 HydrophobicContact CD1-CB 3.79Å; L798-F844 HydrophobicContact CD1-CD1 4.26Å; L798-F844 HydrophobicContact CD1-CD2 3.32Å; L798-F844 HydrophobicContact CD1-CE2 3.84Å; L798-F844 HydrophobicContact CD1-CG 3.54Å; L798-F844 HydrophobicContact CD1-CZ 4.48Å; L798-F844 HydrophobicContact CG-CB 4.46Å; L798-F844 HydrophobicContact CG-CD2 4.08Å; E801-F844 HydrophobicContact CB-CE2 4.25Å; E801-F844 HydrophobicContact CG-CE2 4.14Å; E801-F844 HydrophobicContact CG-CZ 3.93Å; R802-F844 HydrophobicContact CB-CD2 3.99Å; R802-F844 HydrophobicContact CB-CE2 4.1Å; R802-F844 HydrophobicContact CG-CD2 4.39Å; M805-F844 HydrophobicContact CE-CE1 3.61Å; M805-F844 HydrophobicContact CE-CE2 3.91Å; M805-F844 HydrophobicContact CE-CZ 3.2Å; L839-F844 HydrophobicContact CD2-CE1 3.86Å; L839-F844 HydrophobicContact CG-CD1 4.18Å; L839-F844 HydrophobicContact CG-CE1 3.94Å; L839-F844 WeakPolarHBondContact O-CD1 3.05Å; L839-F844 PolarHBondContact O-N 2.91Å; M840-F844 HydrophobicContact CB-CG 4.49Å; M840-F844 HydrophobicContact CG-CD1 4.42Å; M840-F844 HydrophobicContact CG-CD2 4.21Å; M840-F844 HydrophobicContact CG-CE2 4.37Å; M840-F844 HydrophobicContact CG-CG 4.26Å; M840-F844 WeakPolarHBondContact O-CB 3.36Å; F844-F847 PolarHBondContact O-N 2.8Å; F844-R848 WeakPolarHBondContact O-CB 3.39Å; F844-R848 PolarHBondContact O-N 3.37Å; F844-L875 HydrophobicContact CD1-CD1 3.87Å; F844-L875 HydrophobicContact CD1-CD2 4.06Å; F844-L875 HydrophobicContact CD1-CG 4.34Å; F844-L875 HydrophobicContact CE1-CD1 3.8Å; F844-L875 HydrophobicContact CE1-CD2 4.08Å; F844-L875 HydrophobicContact CE1-CG 4.04Å; F844-I879 HydrophobicContact CE1-CD1 4.05Å; F844-I879 HydrophobicContact CE1-CG1 3.98Å; F844-I879 HydrophobicContact CZ-CD1 3.77Å; F844-I879 HydrophobicContact CZ-CG1 3.85Å
845Y96.5Very high96.4Very high108 Ų10853 Ų5342%0.42426%0.26SS..Hα-helixtrans-56.8-53.3172.8-173.3-83.4000112.1M840 A841 K843 F847 R848 E849M840-Y845 PolarHBondContact O-N 3.15Å; A841-Y845 WeakPolarHBondContact O-CB 3.2Å; K843-Y845 VanDerWaalsContact C-N 3.32Å; Y845-F847 PolarHBondContact O-N 2.98Å; Y845-R848 VanDerWaalsContact CE2-NH2 3.33Å; Y845-R848 WeakPolarHBondContact O-CB 3.4Å; Y845-R848 PolarHBondContact O-N 2.82Å; Y845-E849 HydrophobicContact CE1-CG 4.02Å; Y845-E849 WeakPolarHBondContact CE1-OE1 3.33Å; Y845-E849 WeakPolarHBondContact CE1-OE2 3.31Å; Y845-E849 PolarHBondContact O-N 3.12Å; Y845-E849 VanDerWaalsContact O-N 3.13Å; Y845-E849 PolarHBondContact OH-OE1 2.97Å
846Q96.3Very high96.1Very high83 Ų8355.1 Ų55.139%0.38827%0.27SS..Hα-helixtrans-58.6-42176.1-76.4162.619.300113.1Q842 K843 E849 L850Q842-Q846 WeakPolarHBondContact O-CB 3.33Å; Q842-Q846 VanDerWaalsContact O-CD 3.27Å; Q842-Q846 WeakPolarHBondContact O-CG 3.5Å; Q842-Q846 PolarHBondContact O-N 2.89Å; K843-Q846 PolarHBondContact O-N 3.32Å; Q846-E849 PolarHBondContact O-N 3.43Å; Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 3.36Å; Q846-L850 VanDerWaalsContact O-N 3.11Å
847F97.5Very high95.6Very high7 Ų759.5 Ų59.53%0.03130%0.298CS..Hα-helixtrans-70.5-34-179.9-172.9-111.2000112.5F794 L798 K843 F844 Y845 L850 C851 L868 F871 W872 L875F794-F847 HydrophobicContact CB-CE1 3.87Å; F794-F847 HydrophobicContact CB-CZ 3.89Å; F794-F847 HydrophobicContact CD1-CE1 4.06Å; F794-F847 AromaticContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CD1-CZ 3.62Å; F794-F847 HydrophobicContact CE1-CZ 4.31Å; F794-F847 HydrophobicContact CG-CE1 4.28Å; F794-F847 AromaticContact CG-CZ 3.86Å; F794-F847 HydrophobicContact CG-CZ 3.86Å; L798-F847 HydrophobicContact CB-CD1 4.39Å; L798-F847 HydrophobicContact CD1-CD1 3.91Å; L798-F847 HydrophobicContact CD2-CD1 3.96Å; L798-F847 HydrophobicContact CG-CD1 4.29Å; K843-F847 WeakPolarHBondContact O-CB 3.46Å; K843-F847 PolarHBondContact O-N 2.9Å; F844-F847 PolarHBondContact O-N 2.8Å; Y845-F847 PolarHBondContact O-N 2.98Å; F847-L850 PolarHBondContact O-N 3.1Å; F847-C851 PolarHBondContact O-N 3.27Å; F847-C851 PolarHBondContact O-SG 3.29Å; F847-L868 HydrophobicContact CE2-CB 4.31Å; F847-L868 HydrophobicContact CE2-CD2 4.01Å; F847-L868 WeakPolarHBondContact CE2-O 3.43Å; F847-L868 HydrophobicContact CZ-CB 4.41Å; F847-L868 HydrophobicContact CZ-CD2 4.49Å; F847-F871 HydrophobicContact CD2-CB 3.74Å; F847-F871 HydrophobicContact CE2-CB 3.72Å; F847-W872 HydrophobicContact CD1-CE3 4.05Å; F847-W872 HydrophobicContact CD1-CZ3 4.45Å; F847-W872 HydrophobicContact CE1-CD2 4.47Å; F847-W872 AromaticContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CZ3 4.17Å; F847-W872 HydrophobicContact CE2-CB 4.3Å; F847-W872 HydrophobicContact CZ-CB 3.89Å; F847-W872 HydrophobicContact CZ-CE3 4.02Å; F847-L875 HydrophobicContact CB-CD2 4.12Å; F847-L875 HydrophobicContact CD1-CD2 4.13Å; F847-L875 HydrophobicContact CG-CD2 4.17Å
848R96.9Very high95.3Very high59 Ų5961.5 Ų61.522%0.22331%0.311CS..Hα-helixtrans-62.5-46.7174-157.6-165.263.3-100.3-15.8111.1L795 L798 F844 Y845 L850 C851 E852L795-R848 HydrophobicContact CD2-CB 4.3Å; L795-R848 HydrophobicContact CD2-CG 3.29Å; L798-R848 HydrophobicContact CD2-CB 3.68Å; L798-R848 HydrophobicContact CD2-CG 4.04Å; F844-R848 WeakPolarHBondContact O-CB 3.39Å; F844-R848 PolarHBondContact O-N 3.37Å; Y845-R848 VanDerWaalsContact CE2-NH2 3.33Å; Y845-R848 WeakPolarHBondContact O-CB 3.4Å; Y845-R848 PolarHBondContact O-N 2.82Å; R848-L850 PolarHBondContact O-N 3.03Å; R848-C851 WeakPolarHBondContact O-CB 3.49Å; R848-C851 PolarHBondContact O-N 2.85Å; R848-C851 VanDerWaalsContact O-N 3.12Å; R848-E852 WeakPolarHBondContact CD-OE1 3.19Å; R848-E852 VanDerWaalsContact CG-OE1 3.31Å; R848-E852 WeakPolarHBondContact CG-OE1 3.19Å; R848-E852 IonicContact CZ-OE1 3.42Å; R848-E852 IonicContact NE-OE1 3.31Å; R848-E852 PolarHBondContact NE-OE1 3.17Å; R848-E852 WeakPolarHBondContact O-CG 3.37Å; R848-E852 PolarHBondContact O-N 3.07Å
849E96.3Very high94.8Very high74 Ų7457.6 Ų57.635%0.34629%0.293SS..Hα-helixtrans-59.4-44.9175.1-70.5-179.8145.300111.8Y845 Q846 C851 E852 E853Y845-E849 HydrophobicContact CE1-CG 4.02Å; Y845-E849 WeakPolarHBondContact CE1-OE1 3.33Å; Y845-E849 WeakPolarHBondContact CE1-OE2 3.31Å; Y845-E849 PolarHBondContact O-N 3.12Å; Y845-E849 VanDerWaalsContact O-N 3.13Å; Y845-E849 PolarHBondContact OH-OE1 2.97Å; Q846-E849 PolarHBondContact O-N 3.43Å; E849-C851 VanDerWaalsContact C-N 3.27Å; E849-C851 PolarHBondContact O-N 2.84Å; E849-E852 PolarHBondContact O-N 3.31Å; E849-E852 VanDerWaalsContact O-N 3.15Å; E849-E853 WeakPolarHBondContact O-CB 3.41Å; E849-E853 WeakPolarHBondContact O-CG 3.29Å; E849-E853 PolarHBondContact O-N 3.26Å
850L95.8Very high93.8Very high35 Ų3565 Ų6518%0.18333%0.327CS..Hα-helixtrans-60.4-34.7174.8-71169.3000112.9Q846 F847 R848 N854 P863 L868 F871Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 3.36Å; Q846-L850 VanDerWaalsContact O-N 3.11Å; F847-L850 PolarHBondContact O-N 3.1Å; R848-L850 PolarHBondContact O-N 3.03Å; L850-N854 WeakPolarHBondContact O-CB 3.06Å; L850-N854 PolarHBondContact O-N 3.39Å; L850-P863 HydrophobicContact CD2-CB 4.45Å; L850-P863 HydrophobicContact CD2-CG 3.76Å; L850-L868 HydrophobicContact CB-CD2 3.87Å; L850-F871 HydrophobicContact CD1-CD1 4.13Å; L850-F871 HydrophobicContact CD1-CD2 3.81Å; L850-F871 HydrophobicContact CD1-CE1 4.15Å; L850-F871 HydrophobicContact CD1-CE2 3.84Å; L850-F871 HydrophobicContact CD1-CG 3.96Å; L850-F871 HydrophobicContact CD1-CZ 4.02Å
851C95.6Very high93.1Very high0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-71-40.2174.7-64.60000112F794 L795 F847 R848 E849 N854 L855 L868F794-C851 VanDerWaalsContact CB-SG 3.52Å; L795-C851 HydrophobicContact CD1-CB 4.29Å; L795-C851 HydrophobicContact CD2-CB 3.87Å; L795-C851 HydrophobicContact CG-CB 3.69Å; F847-C851 PolarHBondContact O-N 3.27Å; F847-C851 PolarHBondContact O-SG 3.29Å; R848-C851 WeakPolarHBondContact O-CB 3.49Å; R848-C851 PolarHBondContact O-N 2.85Å; R848-C851 VanDerWaalsContact O-N 3.12Å; E849-C851 VanDerWaalsContact C-N 3.27Å; E849-C851 PolarHBondContact O-N 2.84Å; C851-N854 WeakPolarHBondContact O-CB 3.41Å; C851-N854 PolarHBondContact O-N 3.33Å; C851-L855 WeakPolarHBondContact O-CG 3.28Å; C851-L855 PolarHBondContact O-N 3.12Å; C851-L855 VanDerWaalsContact O-N 3.12Å; C851-L868 HydrophobicContact CB-CD1 4.48Å
852E94.8Very high92.8Very high90 Ų9072 Ų7242%0.42135%0.352SS..Hα-helixtrans-64.6-40.2174.5-68.1164.9-153.900111R848 E849 L855 N856R848-E852 WeakPolarHBondContact CD-OE1 3.19Å; R848-E852 VanDerWaalsContact CG-OE1 3.31Å; R848-E852 WeakPolarHBondContact CG-OE1 3.19Å; R848-E852 IonicContact CZ-OE1 3.42Å; R848-E852 IonicContact NE-OE1 3.31Å; R848-E852 PolarHBondContact NE-OE1 3.17Å; R848-E852 WeakPolarHBondContact O-CG 3.37Å; R848-E852 PolarHBondContact O-N 3.07Å; E849-E852 PolarHBondContact O-N 3.31Å; E849-E852 VanDerWaalsContact O-N 3.15Å; E852-L855 PolarHBondContact O-N 3.41Å; E852-N856 PolarHBondContact O-N 3.41Å
853E94.6Very high92.6Very high87 Ų8767.9 Ų67.941%0.40733%0.334SS..Hα-helixtrans-65-39.3171.4-73.3-17816800112.9E849 L855 N856 A859 P863E849-E853 WeakPolarHBondContact O-CB 3.41Å; E849-E853 WeakPolarHBondContact O-CG 3.29Å; E849-E853 PolarHBondContact O-N 3.26Å; E853-L855 PolarHBondContact O-N 3.36Å; E853-N856 PolarHBondContact O-N 2.83Å; E853-A859 HydrophobicContact CB-CB 4.29Å; E853-A859 WeakPolarHBondContact O-CB 3.49Å; E853-P863 HydrophobicContact CB-CG 3.93Å
854N93.8Very high92.5Very high9 Ų966.5 Ų66.55%0.04833%0.334CS..Hα-helixtrans-61.6-32.1173.5171.4-99.9000112.1G791 L850 C851 R862 P863 S865 L868G791-N854 PolarHBondContact N-OD1 2.84Å; L850-N854 WeakPolarHBondContact O-CB 3.06Å; L850-N854 PolarHBondContact O-N 3.39Å; C851-N854 WeakPolarHBondContact O-CB 3.41Å; C851-N854 PolarHBondContact O-N 3.33Å; N854-R862 PolarHBondContact O-NE 3.19Å; N854-R862 PolarHBondContact O-NH2 3.18Å; N854-P863 HydrophobicContact CB-CB 4.46Å; N854-P863 PolarHBondContact ND2-O 3.46Å; N854-S865 PolarHBondContact ND2-N 3.03Å; N854-L868 HydrophobicContact CB-CD1 3.64Å; N854-L868 HydrophobicContact CB-CD2 4.49Å; N854-L868 HydrophobicContact CB-CG 4.21Å
855L92.3Very high92.2Very high44 Ų4468.8 Ų68.823%0.2335%0.35CS..Hα-helixtrans-79.5-33.2177-66.4170.9000112.4D790 H792 L795 C851 E852 E853 P857D790-L855 HydrophobicContact CB-CD2 4.41Å; H792-L855 WeakPolarHBondContact CD2-CD2 3.49Å; H792-L855 WeakPolarHBondContact ND1-CD1 3.36Å; L795-L855 HydrophobicContact CD1-CD1 3.88Å; C851-L855 WeakPolarHBondContact O-CG 3.28Å; C851-L855 PolarHBondContact O-N 3.12Å; C851-L855 VanDerWaalsContact O-N 3.12Å; E852-L855 PolarHBondContact O-N 3.41Å; E853-L855 PolarHBondContact O-N 3.36Å; L855-P857 WeakPolarHBondContact O-CD 3.33Å
856N91.8Very high92.1Very high72 Ų7271.4 Ų71.439%0.38537%0.366SS..  trans-68.2115.5178.1-175.5-3.6000111.8E852 E853 N858 A859E852-N856 PolarHBondContact O-N 3.41Å; E853-N856 PolarHBondContact O-N 2.83Å; N856-N858 PolarHBondContact O-N 3.33Å; N856-N858 WeakPolarHBondContact OD1-CB 3.42Å; N856-N858 PolarHBondContact OD1-N 3.49Å; N856-N858 PolarHBondContact OD1-ND2 2.9Å; N856-A859 HydrophobicContact CB-CB 4.29Å; N856-A859 PolarHBondContact O-N 3.33Å
857P87.6Confident92Very high91 Ų9171.1 Ų71.159%0.59137%0.367SS*.THydrogen-bonded Turntrans-67.4-16.8179.328.8-35.2000113.6L855L855-P857 WeakPolarHBondContact O-CD 3.33Å
858N91Very high91.9Very high124 Ų12470.8 Ų70.866%0.66337%0.366SS*.THydrogen-bonded Turntrans-97.43-177-49.5-67.5000113.6N856N856-N858 PolarHBondContact O-N 3.33Å; N856-N858 WeakPolarHBondContact OD1-CB 3.42Å; N856-N858 PolarHBondContact OD1-N 3.49Å; N856-N858 PolarHBondContact OD1-ND2 2.9Å
859A86.8Confident91.9Very high12 Ų1269.5 Ų69.510%0.09937%0.368CS..  trans-70.913517900000111.6E853 N856 R862E853-A859 HydrophobicContact CB-CB 4.29Å; E853-A859 WeakPolarHBondContact O-CB 3.49Å; N856-A859 HydrophobicContact CB-CB 4.29Å; N856-A859 PolarHBondContact O-N 3.33Å; A859-R862 HydrophobicContact CB-CB 4.17Å; A859-R862 HydrophobicContact CB-CG 4.33Å; A859-R862 WeakPolarHBondContact O-CB 3.45Å; A859-R862 PolarHBondContact O-N 2.99Å
860H77.3Confident91.9Very high175 Ų17567.9 Ų67.981%0.8137%0.371SS*.SBendtrans-140.3110.3-177.7-71.1-17000111.3
861P84.1Confident91.9Very high122 Ų12271.3 Ų71.379%0.79239%0.385SS*.SBendcis-67.6140.6-7.930.9-34.9000111.5
862R90.1Very high92Very high119 Ų11972.2 Ų72.245%0.44939%0.388SS..PPolyproline II helixtrans-80.5122.7171.4-174.4170.6176.1-172.11.3108.9N854 A859 T864N854-R862 PolarHBondContact O-NE 3.19Å; N854-R862 PolarHBondContact O-NH2 3.18Å; A859-R862 HydrophobicContact CB-CB 4.17Å; A859-R862 HydrophobicContact CB-CG 4.33Å; A859-R862 WeakPolarHBondContact O-CB 3.45Å; A859-R862 PolarHBondContact O-N 2.99Å; R862-T864 PolarHBondContact O-N 3.08Å
863P92.3Very high92.1Very high14 Ų1472.8 Ų72.89%0.09139%0.394CS..PPolyproline II helixtrans-58.6134.2170.8-21.833.2000109.9L850 E853 N854 L868L850-P863 HydrophobicContact CD2-CB 4.45Å; L850-P863 HydrophobicContact CD2-CG 3.76Å; E853-P863 HydrophobicContact CB-CG 3.93Å; N854-P863 HydrophobicContact CB-CB 4.46Å; N854-P863 PolarHBondContact ND2-O 3.46Å; P863-L868 HydrophobicContact CB-CD2 4.43Å
864T92.7Very high92.1Very high71 Ų7174.8 Ų74.844%0.43641%0.405SS..PPolyproline II helixtrans-83.9162.717572.50000111.1R862 Q866 D867 L868R862-T864 PolarHBondContact O-N 3.08Å; T864-Q866 PolarHBondContact O-N 3.12Å; T864-Q866 VanDerWaalsContact O-N 3.13Å; T864-Q866 PolarHBondContact OG1-N 2.79Å; T864-D867 WeakPolarHBondContact CA-OD2 3.34Å; T864-D867 VanDerWaalsContact CB-OD2 3.25Å; T864-D867 WeakPolarHBondContact CB-OD2 3.49Å; T864-D867 WeakPolarHBondContact CG2-OD2 3.33Å; T864-D867 PolarHBondContact N-OD2 2.92Å; T864-D867 PolarHBondContact O-N 2.82Å; T864-D867 VanDerWaalsContact OG1-CG 3.27Å; T864-D867 PolarHBondContact OG1-N 2.97Å; T864-D867 VanDerWaalsContact OG1-N 3.14Å; T864-D867 PolarHBondContact OG1-OD2 3.3Å; T864-L868 PolarHBondContact O-N 2.82Å
865S92.9Very high92.3Very high48 Ų4874.8 Ų74.834%0.33641%0.405SS..Hα-helixtrans-54.5-27.4170-70.20000113.7R789 N854 A869R789-S865 WeakPolarHBondContact O-CB 3.38Å; R789-S865 PolarHBondContact O-OG 3.26Å; N854-S865 PolarHBondContact ND2-N 3.03Å; S865-A869 PolarHBondContact O-N 3.36Å; S865-A869 VanDerWaalsContact O-N 3.12Å
866Q93.8Very high92.6Very high163 Ų16376 Ų7676%0.76241%0.41SS*.Hα-helixtrans-81.7-33.6177.6-173.5169.4-13.200112.1T864 A869 G870T864-Q866 PolarHBondContact O-N 3.12Å; T864-Q866 VanDerWaalsContact O-N 3.13Å; T864-Q866 PolarHBondContact OG1-N 2.79Å; Q866-A869 PolarHBondContact O-N 3.14Å; Q866-G870 PolarHBondContact O-N 3.01Å
867D94.9Very high92.8Very high77 Ų7777.4 Ų77.441%0.41242%0.416SS..Hα-helixtrans-64.2-43.9169.9-57.2-60.3000110.3T864 A869 G870 F871T864-D867 WeakPolarHBondContact CA-OD2 3.34Å; T864-D867 VanDerWaalsContact CB-OD2 3.25Å; T864-D867 WeakPolarHBondContact CB-OD2 3.49Å; T864-D867 WeakPolarHBondContact CG2-OD2 3.33Å; T864-D867 PolarHBondContact N-OD2 2.92Å; T864-D867 PolarHBondContact O-N 2.82Å; T864-D867 VanDerWaalsContact OG1-CG 3.27Å; T864-D867 PolarHBondContact OG1-N 2.97Å; T864-D867 VanDerWaalsContact OG1-N 3.14Å; T864-D867 PolarHBondContact OG1-OD2 3.3Å; D867-A869 VanDerWaalsContact C-N 3.32Å; D867-A869 PolarHBondContact O-N 3.31Å; D867-G870 PolarHBondContact O-N 3.47Å; D867-F871 VanDerWaalsContact O-CD2 3.3Å; D867-F871 WeakPolarHBondContact O-CD2 3.42Å; D867-F871 PolarHBondContact O-N 3.15Å
868L95.7Very high93.2Very high0 Ų075.2 Ų75.20%040%0.403CS..Hα-helixtrans-58.5-42.2173.8-67.3-171.5000112.2F794 F847 L850 C851 N854 P863 T864 F871 W872F794-L868 HydrophobicContact CD2-CB 3.62Å; F794-L868 HydrophobicContact CD2-CD1 3.61Å; F794-L868 HydrophobicContact CD2-CG 4.29Å; F794-L868 HydrophobicContact CE2-CB 3.5Å; F794-L868 HydrophobicContact CE2-CD1 4.2Å; F794-L868 HydrophobicContact CG-CB 4.25Å; F794-L868 HydrophobicContact CG-CD1 4.34Å; F794-L868 HydrophobicContact CZ-CB 4.05Å; F847-L868 HydrophobicContact CE2-CB 4.31Å; F847-L868 HydrophobicContact CE2-CD2 4.01Å; F847-L868 WeakPolarHBondContact CE2-O 3.43Å; F847-L868 HydrophobicContact CZ-CB 4.41Å; F847-L868 HydrophobicContact CZ-CD2 4.49Å; L850-L868 HydrophobicContact CB-CD2 3.87Å; C851-L868 HydrophobicContact CB-CD1 4.48Å; N854-L868 HydrophobicContact CB-CD1 3.64Å; N854-L868 HydrophobicContact CB-CD2 4.49Å; N854-L868 HydrophobicContact CB-CG 4.21Å; P863-L868 HydrophobicContact CB-CD2 4.43Å; T864-L868 PolarHBondContact O-N 2.82Å; L868-F871 PolarHBondContact O-N 3.32Å; L868-W872 VanDerWaalsContact O-CB 3.28Å; L868-W872 WeakPolarHBondContact O-CB 3.49Å; L868-W872 PolarHBondContact O-N 2.91Å
869A95.4Very high93.5Very high33 Ų3369.4 Ų69.427%0.27337%0.372SS..Hα-helixtrans-60.4-46.7174.500000112F794 S865 Q866 D867 F871 W872 D873F794-A869 HydrophobicContact CZ-CB 4Å; S865-A869 PolarHBondContact O-N 3.36Å; S865-A869 VanDerWaalsContact O-N 3.12Å; Q866-A869 PolarHBondContact O-N 3.14Å; D867-A869 VanDerWaalsContact C-N 3.32Å; D867-A869 PolarHBondContact O-N 3.31Å; A869-F871 PolarHBondContact O-N 3.12Å; A869-W872 WeakPolarHBondContact O-CB 3.37Å; A869-W872 PolarHBondContact O-N 3.11Å; A869-D873 PolarHBondContact O-N 3.49Å
870G95.9Very high94Very high39 Ų3973.5 Ų73.540%0.40239%0.389SS..Hα-helixtrans-65.1-36.1177.900000114Q866 D867 M874Q866-G870 PolarHBondContact O-N 3.01Å; D867-G870 PolarHBondContact O-N 3.47Å; G870-M874 WeakPolarHBondContact O-CG 3.41Å; G870-M874 PolarHBondContact O-N 2.92Å
871F96.2Very high95Very high108 Ų10869.5 Ų69.547%0.47437%0.374SS..Hα-helixtrans-69.2-37.2171.4-86.2-71.7000112.3F847 L850 D867 L868 A869 M874 L875F847-F871 HydrophobicContact CD2-CB 3.74Å; F847-F871 HydrophobicContact CE2-CB 3.72Å; L850-F871 HydrophobicContact CD1-CD1 4.13Å; L850-F871 HydrophobicContact CD1-CD2 3.81Å; L850-F871 HydrophobicContact CD1-CE1 4.15Å; L850-F871 HydrophobicContact CD1-CE2 3.84Å; L850-F871 HydrophobicContact CD1-CG 3.96Å; L850-F871 HydrophobicContact CD1-CZ 4.02Å; D867-F871 VanDerWaalsContact O-CD2 3.3Å; D867-F871 WeakPolarHBondContact O-CD2 3.42Å; D867-F871 PolarHBondContact O-N 3.15Å; L868-F871 PolarHBondContact O-N 3.32Å; A869-F871 PolarHBondContact O-N 3.12Å; F871-M874 PolarHBondContact O-N 3.4Å; F871-L875 WeakPolarHBondContact O-CB 3.35Å; F871-L875 PolarHBondContact O-N 3.39Å
872W97.3Very high95.6Very high19 Ų1964.1 Ų64.17%0.07234%0.338CS..Hα-helixtrans-65.4-45.9176.1179.9-98.9000111.9F794 L797 L798 E801 F847 L868 A869 M874 L875 Q876 I879F794-W872 HydrophobicContact CD1-CB 4.04Å; F794-W872 HydrophobicContact CD1-CD2 4.4Å; F794-W872 HydrophobicContact CD1-CG 4.13Å; F794-W872 HydrophobicContact CE1-CB 3.62Å; F794-W872 AromaticContact CE1-CG 3.86Å; F794-W872 HydrophobicContact CE1-CG 3.86Å; L797-W872 HydrophobicContact CD1-CZ2 4.37Å; L797-W872 HydrophobicContact CD2-CD2 4.19Å; L797-W872 VanDerWaalsContact CD2-CE2 3.49Å; L797-W872 HydrophobicContact CD2-CH2 4.09Å; L797-W872 HydrophobicContact CD2-CZ2 3.44Å; L797-W872 VanDerWaalsContact CD2-CZ2 3.44Å; L797-W872 HydrophobicContact CG-CH2 3.75Å; L797-W872 HydrophobicContact CG-CZ2 3.52Å; L797-W872 HydrophobicContact CG-CZ3 4.48Å; L798-W872 HydrophobicContact CB-CZ3 4.26Å; L798-W872 HydrophobicContact CD1-CZ3 4.05Å; E801-W872 HydrophobicContact CB-CH2 4.22Å; E801-W872 HydrophobicContact CG-CH2 4.4Å; F847-W872 HydrophobicContact CD1-CE3 4.05Å; F847-W872 HydrophobicContact CD1-CZ3 4.45Å; F847-W872 HydrophobicContact CE1-CD2 4.47Å; F847-W872 AromaticContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CE3 3.51Å; F847-W872 HydrophobicContact CE1-CZ3 4.17Å; F847-W872 HydrophobicContact CE2-CB 4.3Å; F847-W872 HydrophobicContact CZ-CB 3.89Å; F847-W872 HydrophobicContact CZ-CE3 4.02Å; L868-W872 VanDerWaalsContact O-CB 3.28Å; L868-W872 WeakPolarHBondContact O-CB 3.49Å; L868-W872 PolarHBondContact O-N 2.91Å; A869-W872 WeakPolarHBondContact O-CB 3.37Å; A869-W872 PolarHBondContact O-N 3.11Å; W872-M874 VanDerWaalsContact C-N 3.28Å; W872-M874 PolarHBondContact O-N 3.5Å; W872-L875 HydrophobicContact CE3-CD2 4.07Å; W872-L875 HydrophobicContact CZ3-CD2 3.98Å; W872-L875 CarbonylContact O-C 3.52Å; W872-L875 WeakPolarHBondContact O-CA 3.4Å; W872-L875 WeakPolarHBondContact O-CB 3.33Å; W872-L875 PolarHBondContact O-N 3.26Å; W872-Q876 WeakPolarHBondContact O-CB 3.02Å; W872-Q876 PolarHBondContact O-N 3Å; W872-I879 HydrophobicContact CH2-CD1 4.43Å
873D96.9Very high96Very high102 Ų10259.4 Ų59.455%0.54532%0.324SS..Hα-helixtrans-60.2-40.1178.1-66.9-18.7000111.5A869 L875 Q876 L877A869-D873 PolarHBondContact O-N 3.49Å; D873-L875 VanDerWaalsContact C-N 3.34Å; D873-Q876 PolarHBondContact O-N 2.7Å; D873-L877 WeakPolarHBondContact O-CG 3.25Å; D873-L877 PolarHBondContact O-N 3.31Å; D873-L877 VanDerWaalsContact O-N 3.15Å
874M96.1Very high96.2Very high128 Ų12863.7 Ų63.763%0.63134%0.344SS*.Hα-helixtrans-65.6-33.5172.8-75.2-74.6-67.100113.2G870 F871 W872 S878G870-M874 WeakPolarHBondContact O-CG 3.41Å; G870-M874 PolarHBondContact O-N 2.92Å; F871-M874 PolarHBondContact O-N 3.4Å; W872-M874 VanDerWaalsContact C-N 3.28Å; W872-M874 PolarHBondContact O-N 3.5Å; M874-S878 PolarHBondContact O-OG 3.13Å; M874-S878 VanDerWaalsContact O-OG 3.08Å
875L97.3Very high96.4Very high9 Ų963 Ų635%0.04734%0.335CS..Hα-helixtrans-72-41.5174.8-169.358000110.9L798 L839 K843 F844 F847 F871 W872 D873 L877 S878 I879L798-L875 HydrophobicContact CD1-CD2 3.81Å; L839-L875 HydrophobicContact CD1-CD1 4.17Å; L839-L875 HydrophobicContact CD2-CD1 4.39Å; L839-L875 HydrophobicContact CG-CD1 4.27Å; K843-L875 HydrophobicContact CB-CD1 3.68Å; F844-L875 HydrophobicContact CD1-CD1 3.87Å; F844-L875 HydrophobicContact CD1-CD2 4.06Å; F844-L875 HydrophobicContact CD1-CG 4.34Å; F844-L875 HydrophobicContact CE1-CD1 3.8Å; F844-L875 HydrophobicContact CE1-CD2 4.08Å; F844-L875 HydrophobicContact CE1-CG 4.04Å; F847-L875 HydrophobicContact CB-CD2 4.12Å; F847-L875 HydrophobicContact CD1-CD2 4.13Å; F847-L875 HydrophobicContact CG-CD2 4.17Å; F871-L875 WeakPolarHBondContact O-CB 3.35Å; F871-L875 PolarHBondContact O-N 3.39Å; W872-L875 HydrophobicContact CE3-CD2 4.07Å; W872-L875 HydrophobicContact CZ3-CD2 3.98Å; W872-L875 CarbonylContact O-C 3.52Å; W872-L875 WeakPolarHBondContact O-CA 3.4Å; W872-L875 WeakPolarHBondContact O-CB 3.33Å; W872-L875 PolarHBondContact O-N 3.26Å; D873-L875 VanDerWaalsContact C-N 3.34Å; L875-L877 PolarHBondContact O-N 3.13Å; L875-S878 CarbonylContact O-C 3.55Å; L875-S878 WeakPolarHBondContact O-CA 3.16Å; L875-S878 VanDerWaalsContact O-CB 3.24Å; L875-S878 WeakPolarHBondContact O-CB 3.36Å; L875-S878 PolarHBondContact O-N 3.48Å; L875-I879 HydrophobicContact CG-CD1 3.91Å; L875-I879 WeakPolarHBondContact O-CD1 3.39Å; L875-I879 WeakPolarHBondContact O-CG1 3.3Å; L875-I879 PolarHBondContact O-N 3.04Å
876Q97.4Very high96.6Very high71 Ų7160.8 Ų60.833%0.33232%0.319SS..Hα-helixtrans-63.7-39.5-179.1-158.168.5-2.600112.1W872 D873 S878 I879 E880W872-Q876 WeakPolarHBondContact O-CB 3.02Å; W872-Q876 PolarHBondContact O-N 3Å; D873-Q876 PolarHBondContact O-N 2.7Å; Q876-S878 PolarHBondContact O-N 3.17Å; Q876-I879 PolarHBondContact O-N 3.24Å; Q876-I879 VanDerWaalsContact OE1-CD1 3.32Å; Q876-E880 WeakPolarHBondContact O-CB 3.4Å; Q876-E880 PolarHBondContact O-N 3.46Å
877L96.8Very high96.8Very high101 Ų10156.1 Ų56.153%0.52930%0.299SS..Hα-helixtrans-60.2-31.9170.1-71.2170.8000112.8D873 L875 N881D873-L877 WeakPolarHBondContact O-CG 3.25Å; D873-L877 PolarHBondContact O-N 3.31Å; D873-L877 VanDerWaalsContact O-N 3.15Å; L875-L877 PolarHBondContact O-N 3.13Å; L877-N881 WeakPolarHBondContact O-CB 3.38Å; L877-N881 PolarHBondContact O-N 2.88Å
878S96.9Very high96.8Very high45 Ų4556.4 Ų56.432%0.31530%0.298SS..Hα-helixtrans-76.8-37176.9-54.10000111.7M874 L875 Q876 I882M874-S878 PolarHBondContact O-OG 3.13Å; M874-S878 VanDerWaalsContact O-OG 3.08Å; L875-S878 CarbonylContact O-C 3.55Å; L875-S878 WeakPolarHBondContact O-CA 3.16Å; L875-S878 VanDerWaalsContact O-CB 3.24Å; L875-S878 WeakPolarHBondContact O-CB 3.36Å; L875-S878 PolarHBondContact O-N 3.48Å; Q876-S878 PolarHBondContact O-N 3.17Å; S878-I882 WeakPolarHBondContact O-CG1 3.2Å; S878-I882 PolarHBondContact O-N 2.74Å
879I97.4Very high96.8Very high2 Ų256.5 Ų56.51%0.0130%0.299CS..Hα-helixtrans-65.5-48.5174.1-69.8153.8000110.9E801 M805 L839 F844 W872 L875 Q876 N881 I882 S883E801-I879 HydrophobicContact CG-CD1 3.6Å; E801-I879 HydrophobicContact CG-CG1 4.19Å; E801-I879 HydrophobicContact CG-CG2 4.16Å; E801-I879 VanDerWaalsContact OE1-CG2 3.28Å; E801-I879 WeakPolarHBondContact OE1-CG2 3.36Å; M805-I879 HydrophobicContact CE-CG1 4.33Å; L839-I879 HydrophobicContact CD2-CG1 3.97Å; F844-I879 HydrophobicContact CE1-CD1 4.05Å; F844-I879 HydrophobicContact CE1-CG1 3.98Å; F844-I879 HydrophobicContact CZ-CD1 3.77Å; F844-I879 HydrophobicContact CZ-CG1 3.85Å; W872-I879 HydrophobicContact CH2-CD1 4.43Å; L875-I879 HydrophobicContact CG-CD1 3.91Å; L875-I879 WeakPolarHBondContact O-CD1 3.39Å; L875-I879 WeakPolarHBondContact O-CG1 3.3Å; L875-I879 PolarHBondContact O-N 3.04Å; Q876-I879 PolarHBondContact O-N 3.24Å; Q876-I879 VanDerWaalsContact OE1-CD1 3.32Å; I879-N881 VanDerWaalsContact C-N 3.32Å; I879-N881 PolarHBondContact O-N 3.07Å; I879-I882 CarbonylContact O-C 3.53Å; I879-I882 WeakPolarHBondContact O-CA 3.44Å; I879-I882 PolarHBondContact O-N 2.6Å; I879-S883 PolarHBondContact O-N 2.97Å
880E97.4Very high96.8Very high98 Ų9858 Ų5846%0.45830%0.3SS..Hα-helixtrans-60-41.6179.2-174.1176-153.100111.5Q876 I882 S883 M884Q876-E880 WeakPolarHBondContact O-CB 3.4Å; Q876-E880 PolarHBondContact O-N 3.46Å; E880-I882 PolarHBondContact O-N 3.14Å; E880-S883 WeakPolarHBondContact O-CB 3.35Å; E880-S883 PolarHBondContact O-N 3.2Å; E880-M884 PolarHBondContact O-N 3.02Å
881N97Very high96.7Very high91 Ų9162.5 Ų62.549%0.48731%0.31SS..Hα-helixtrans-65.5-18.5173.4177.976.2000114.2L877 I879 M884L877-N881 WeakPolarHBondContact O-CB 3.38Å; L877-N881 PolarHBondContact O-N 2.88Å; I879-N881 VanDerWaalsContact C-N 3.32Å; I879-N881 PolarHBondContact O-N 3.07Å; N881-M884 HydrophobicContact CB-CE 4.4Å
882I97.7Very high96.5Very high8 Ų858 Ų584%0.04129%0.291CS..Hα-helixtrans-92.6-37.6173.1-69.3176.7000110.9M805 S835 A836 L839 S878 I879 E880 M884 K885 F886M805-I882 HydrophobicContact SD-CD1 4.41Å; M805-I882 HydrophobicContact SD-CG2 3.84Å; S835-I882 WeakPolarHBondContact O-CD1 3.33Å; A836-I882 HydrophobicContact CB-CG2 3.87Å; L839-I882 HydrophobicContact CB-CD1 3.91Å; L839-I882 HydrophobicContact CD2-CD1 3.71Å; L839-I882 HydrophobicContact CG-CD1 4.37Å; S878-I882 WeakPolarHBondContact O-CG1 3.2Å; S878-I882 PolarHBondContact O-N 2.74Å; I879-I882 CarbonylContact O-C 3.53Å; I879-I882 WeakPolarHBondContact O-CA 3.44Å; I879-I882 PolarHBondContact O-N 2.6Å; E880-I882 PolarHBondContact O-N 3.14Å; I882-M884 VanDerWaalsContact C-N 3.31Å; I882-M884 PolarHBondContact O-N 3.35Å; I882-K885 WeakPolarHBondContact O-CB 3.36Å; I882-K885 PolarHBondContact O-N 3.17Å; I882-F886 HydrophobicContact CG2-CD2 3.82Å; I882-F886 HydrophobicContact CG2-CE2 3.59Å; I882-F886 WeakPolarHBondContact O-CD2 3.31Å; I882-F886 PolarHBondContact O-N 2.71Å; I882-F886 VanDerWaalsContact O-N 3.17Å
883S97.6Very high96.2Very high21 Ų2160.9 Ų60.915%0.14730%0.304CS..Hα-helixtrans-49.6-53.3168.7-168.80000110.1W808 I879 E880 K885 F886 D887W808-S883 WeakPolarHBondContact CH2-OG 3.15Å; I879-S883 PolarHBondContact O-N 2.97Å; E880-S883 WeakPolarHBondContact O-CB 3.35Å; E880-S883 PolarHBondContact O-N 3.2Å; S883-K885 PolarHBondContact O-N 3.43Å; S883-F886 CarbonylContact O-C 3.38Å; S883-F886 WeakPolarHBondContact O-CA 3.22Å; S883-F886 PolarHBondContact O-N 2.78Å; S883-D887 PolarHBondContact O-N 3.47Å; S883-D887 PolarHBondContact OG-OD2 3.31Å
884M97.4Very high95.9Very high104 Ų10459.9 Ų59.951%0.51231%0.31SS..Hα-helixtrans-53.8-29.3179.5-73-169.3-72.500114.3E880 N881 I882 E888E880-M884 PolarHBondContact O-N 3.02Å; N881-M884 HydrophobicContact CB-CE 4.4Å; I882-M884 VanDerWaalsContact C-N 3.31Å; I882-M884 PolarHBondContact O-N 3.35Å; M884-E888 PolarHBondContact O-N 3.43Å; M884-E888 VanDerWaalsContact O-N 3.09Å
885K96.9Very high95.6Very high57 Ų5756.3 Ų56.325%0.24829%0.293CS..Hα-helixtrans-76.4-42.6174.7-57178.3-175.1179.40112A832 S835 I882 S883 D887 E888 L889A832-K885 HydrophobicContact CB-CB 3.85Å; A832-K885 HydrophobicContact CB-CD 4.23Å; S835-K885 VanDerWaalsContact CB-NZ 3.35Å; S835-K885 PolarHBondContact OG-NZ 2.96Å; I882-K885 WeakPolarHBondContact O-CB 3.36Å; I882-K885 PolarHBondContact O-N 3.17Å; S883-K885 PolarHBondContact O-N 3.43Å; K885-D887 VanDerWaalsContact C-N 3.31Å; K885-E888 WeakPolarHBondContact O-CB 3.34Å; K885-E888 PolarHBondContact O-N 3Å; K885-L889 WeakPolarHBondContact O-CG 3.39Å; K885-L889 PolarHBondContact O-N 3.36Å
886F97.4Very high95.2Very high0 Ų062 Ų620%032%0.324CS..Hα-helixtrans-64.9-37.9173.2-75.4-69.7000110.9W808 M812 A832 V833 A836 I882 S883 E888 L889 H890W808-F886 HydrophobicContact CB-CD1 3.85Å; W808-F886 HydrophobicContact CB-CD2 4.13Å; W808-F886 HydrophobicContact CB-CE1 3.78Å; W808-F886 HydrophobicContact CB-CE2 4.05Å; W808-F886 HydrophobicContact CB-CG 4.03Å; W808-F886 HydrophobicContact CB-CZ 3.88Å; W808-F886 HydrophobicContact CD2-CB 4.4Å; W808-F886 HydrophobicContact CD2-CD2 4.14Å; W808-F886 HydrophobicContact CD2-CG 4.26Å; W808-F886 HydrophobicContact CE3-CB 4.3Å; W808-F886 AromaticContact CE3-CD2 3.48Å; W808-F886 HydrophobicContact CE3-CD2 3.48Å; W808-F886 VanDerWaalsContact CE3-CD2 3.48Å; W808-F886 AromaticContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CE2 3.97Å; W808-F886 HydrophobicContact CE3-CG 4.02Å; W808-F886 HydrophobicContact CG-CD2 4.47Å; W808-F886 HydrophobicContact CG-CG 4.34Å; W808-F886 HydrophobicContact CZ3-CD2 4.11Å; W808-F886 WeakPolarHBondContact O-CE1 3.5Å; M812-F886 HydrophobicContact CB-CE1 4.23Å; M812-F886 HydrophobicContact CG-CD1 3.66Å; M812-F886 HydrophobicContact CG-CE1 3.65Å; A832-F886 HydrophobicContact CB-CE1 4.31Å; A832-F886 HydrophobicContact CB-CZ 4.36Å; V833-F886 HydrophobicContact CG2-CE1 4.16Å; V833-F886 HydrophobicContact CG2-CZ 4.32Å; A836-F886 HydrophobicContact CB-CE2 3.9Å; A836-F886 HydrophobicContact CB-CZ 4.12Å; I882-F886 HydrophobicContact CG2-CD2 3.82Å; I882-F886 HydrophobicContact CG2-CE2 3.59Å; I882-F886 WeakPolarHBondContact O-CD2 3.31Å; I882-F886 PolarHBondContact O-N 2.71Å; I882-F886 VanDerWaalsContact O-N 3.17Å; S883-F886 CarbonylContact O-C 3.38Å; S883-F886 WeakPolarHBondContact O-CA 3.22Å; S883-F886 PolarHBondContact O-N 2.78Å; F886-E888 VanDerWaalsContact C-N 3.34Å; F886-E888 PolarHBondContact O-N 2.94Å; F886-L889 HydrophobicContact CD1-CD1 4.34Å; F886-L889 CarbonylContact O-C 3.56Å; F886-L889 WeakPolarHBondContact O-CB 3.48Å; F886-L889 PolarHBondContact O-N 2.69Å; F886-L889 VanDerWaalsContact O-N 3.11Å; F886-H890 WeakPolarHBondContact O-CB 3.5Å; F886-H890 PolarHBondContact O-N 3.08Å; F886-H890 PolarHBondContact O-ND1 3.15Å
887D96.8Very high94.8Very high65 Ų6560.1 Ų60.135%0.34831%0.314SS..Hα-helixtrans-62.8-37.4174-62.5-43.7000111.9S883 K885 Q891S883-D887 PolarHBondContact O-N 3.47Å; S883-D887 PolarHBondContact OG-OD2 3.31Å; K885-D887 VanDerWaalsContact C-N 3.31Å; D887-Q891 WeakPolarHBondContact O-CB 3.4Å; D887-Q891 VanDerWaalsContact O-CG 3.3Å; D887-Q891 WeakPolarHBondContact O-CG 3.07Å; D887-Q891 PolarHBondContact O-N 3.24Å; D887-Q891 PolarHBondContact O-NE2 3.16Å
888E95.7Very high94Very high84 Ų8462 Ų6239%0.39332%0.318SS..Hα-helixtrans-63.5-44169.6-166.9-169.416000111.7K828 M884 K885 F886 Q891 L892K828-E888 WeakPolarHBondContact CE-OE1 3.38Å; K828-E888 IonicContact NZ-OE1 2.85Å; K828-E888 PolarHBondContact NZ-OE1 2.8Å; M884-E888 PolarHBondContact O-N 3.43Å; M884-E888 VanDerWaalsContact O-N 3.09Å; K885-E888 WeakPolarHBondContact O-CB 3.34Å; K885-E888 PolarHBondContact O-N 3Å; F886-E888 VanDerWaalsContact C-N 3.34Å; F886-E888 PolarHBondContact O-N 2.94Å; E888-Q891 PolarHBondContact O-N 3.35Å; E888-L892 HydrophobicContact CG-CD1 4.45Å; E888-L892 WeakPolarHBondContact O-CG 3.38Å; E888-L892 PolarHBondContact O-N 3.39Å
889L95.4Very high92.8Very high2 Ų265 Ų651%0.0133%0.327CS..Hα-helixtrans-66.4-39.3178-69.9170.4000112.8M812 K828 I829 A832 K885 F886 Q891 L892 K893M812-L889 HydrophobicContact CG-CD1 4.11Å; M812-L889 HydrophobicContact SD-CB 3.68Å; M812-L889 HydrophobicContact SD-CD1 4.08Å; M812-L889 HydrophobicContact SD-CG 4.42Å; K828-L889 HydrophobicContact CB-CD2 3.78Å; I829-L889 HydrophobicContact CG1-CD1 4.04Å; I829-L889 HydrophobicContact CG1-CD2 3.65Å; I829-L889 HydrophobicContact CG1-CG 4.47Å; A832-L889 HydrophobicContact CB-CD1 3.59Å; K885-L889 WeakPolarHBondContact O-CG 3.39Å; K885-L889 PolarHBondContact O-N 3.36Å; F886-L889 HydrophobicContact CD1-CD1 4.34Å; F886-L889 CarbonylContact O-C 3.56Å; F886-L889 WeakPolarHBondContact O-CB 3.48Å; F886-L889 PolarHBondContact O-N 2.69Å; F886-L889 VanDerWaalsContact O-N 3.11Å; L889-Q891 VanDerWaalsContact C-N 3.35Å; L889-L892 HydrophobicContact CD2-CD1 4.36Å; L889-L892 PolarHBondContact O-N 3.28Å; L889-K893 PolarHBondContact O-N 3.11Å
890H95.1Very high90.8Very high63 Ų6371.7 Ų71.729%0.29236%0.359SS..Hα-helixtrans-64.5-38.2173.9-66.5136.1000111.6F886 K893 A894F886-H890 WeakPolarHBondContact O-CB 3.5Å; F886-H890 PolarHBondContact O-N 3.08Å; F886-H890 PolarHBondContact O-ND1 3.15Å; H890-K893 PolarHBondContact O-N 3.39Å; H890-A894 WeakPolarHBondContact O-CB 3.35Å; H890-A894 PolarHBondContact O-N 3.14Å
891Q94.3Very high88.5Confident135 Ų13573.2 Ų73.263%0.63137%0.371SS*.Hα-helixtrans-65-40.4171.4-75.6167.391.300112.2D887 E888 L889 A894 N895D887-Q891 WeakPolarHBondContact O-CB 3.4Å; D887-Q891 VanDerWaalsContact O-CG 3.3Å; D887-Q891 WeakPolarHBondContact O-CG 3.07Å; D887-Q891 PolarHBondContact O-N 3.24Å; D887-Q891 PolarHBondContact O-NE2 3.16Å; E888-Q891 PolarHBondContact O-N 3.35Å; L889-Q891 VanDerWaalsContact C-N 3.35Å; Q891-A894 PolarHBondContact O-N 3.32Å; Q891-N895 WeakPolarHBondContact O-CB 3.02Å; Q891-N895 PolarHBondContact O-N 3.19Å
892L91.8Very high86.4Confident12 Ų1274.6 Ų74.66%0.06339%0.385CS..Hα-helixtrans-64.6-42.6174.3-71167.8000111.7K828 E888 L889 N895 N896 W897K828-L892 HydrophobicContact CD-CD1 4.01Å; E888-L892 HydrophobicContact CG-CD1 4.45Å; E888-L892 WeakPolarHBondContact O-CG 3.38Å; E888-L892 PolarHBondContact O-N 3.39Å; L889-L892 HydrophobicContact CD2-CD1 4.36Å; L889-L892 PolarHBondContact O-N 3.28Å; L892-N895 CarbonylContact O-C 3.54Å; L892-N895 PolarHBondContact O-N 3.19Å; L892-N896 PolarHBondContact O-N 3.29Å; L892-W897 HydrophobicContact CB-CE3 4.14Å; L892-W897 HydrophobicContact CB-CZ3 4.36Å; L892-W897 VanDerWaalsContact O-CA 3.3Å; L892-W897 WeakPolarHBondContact O-CA 3.4Å; L892-W897 PolarHBondContact O-N 2.8Å
893K90.1Very high83.9Confident81 Ų8182.6 Ų82.635%0.35242%0.422SS..Hα-helixtrans-58.6-48.3172.9-175.7176.8173.7-179.10111.3E815 L889 H890 N895 N896 W897E815-K893 HydrophobicContact CG-CD 4.42Å; E815-K893 VanDerWaalsContact OE1-CE 3.3Å; E815-K893 WeakPolarHBondContact OE1-CE 3.47Å; E815-K893 IonicContact OE1-NZ 2.66Å; E815-K893 PolarHBondContact OE1-NZ 3.18Å; E815-K893 IonicContact OE2-NZ 3.85Å; L889-K893 PolarHBondContact O-N 3.11Å; H890-K893 PolarHBondContact O-N 3.39Å; K893-N895 PolarHBondContact O-N 2.72Å; K893-N896 WeakPolarHBondContact O-CA 3.3Å; K893-N896 PolarHBondContact O-N 3.43Å; K893-W897 HydrophobicContact CB-CD2 4.45Å; K893-W897 HydrophobicContact CB-CE3 4.39Å; K893-W897 HydrophobicContact CB-CH2 3.65Å; K893-W897 HydrophobicContact CB-CZ2 3.66Å; K893-W897 HydrophobicContact CB-CZ3 4.02Å; K893-W897 HydrophobicContact CD-CH2 4.42Å; K893-W897 HydrophobicContact CD-CZ2 4.01Å; K893-W897 HydrophobicContact CG-CH2 4.12Å; K893-W897 HydrophobicContact CG-CZ2 3.63Å
894A91.3Very high81.3Confident80 Ų8088 Ų8866%0.66145%0.449SS*.Hα-helixtrans-60.1-34176.200000112.5H890 Q891 N896H890-A894 WeakPolarHBondContact O-CB 3.35Å; H890-A894 PolarHBondContact O-N 3.14Å; Q891-A894 PolarHBondContact O-N 3.32Å; A894-N896 PolarHBondContact O-N 2.83Å; A894-N896 PolarHBondContact O-ND2 3.37Å
895N90.9Very high78.6Confident53 Ų5392.7 Ų92.728%0.28347%0.467SS..THydrogen-bonded Turntrans-82.522172.2-159.836.1000113.8Q891 L892 K893 W897 K898Q891-N895 WeakPolarHBondContact O-CB 3.02Å; Q891-N895 PolarHBondContact O-N 3.19Å; L892-N895 CarbonylContact O-C 3.54Å; L892-N895 PolarHBondContact O-N 3.19Å; K893-N895 PolarHBondContact O-N 2.72Å; N895-W897 VanDerWaalsContact C-N 3.3Å; N895-W897 PolarHBondContact O-N 2.96Å; N895-K898 PolarHBondContact ND2-O 2.85Å; N895-K898 WeakPolarHBondContact O-CB 3.28Å; N895-K898 PolarHBondContact O-N 3.41Å; N895-K898 VanDerWaalsContact O-N 3.1Å
896N88.3Confident76Confident129 Ų12998.9 Ų98.969%0.6949%0.494SS*.THydrogen-bonded Turntrans55.142.7179.4-66.2-111.9000112.7L892 K893 A894 K898L892-N896 PolarHBondContact O-N 3.29Å; K893-N896 WeakPolarHBondContact O-CA 3.3Å; K893-N896 PolarHBondContact O-N 3.43Å; A894-N896 PolarHBondContact O-N 2.83Å; A894-N896 PolarHBondContact O-ND2 3.37Å; N896-K898 PolarHBondContact O-N 3.48Å
897W89.1Confident73.4Confident31 Ų31106.5 Ų106.512%0.11753%0.529CS..THydrogen-bonded Turntrans56.720-177.2-53.9113.7000114.9M812 E815 L821 I825 I829 L892 K893 N895M812-W897 HydrophobicContact SD-CH2 4.37Å; E815-W897 HydrophobicContact CB-CH2 3.93Å; E815-W897 HydrophobicContact CB-CZ2 3.63Å; E815-W897 HydrophobicContact CG-CH2 3.92Å; E815-W897 HydrophobicContact CG-CZ2 3.63Å; L821-W897 HydrophobicContact CD1-CD2 4.42Å; L821-W897 HydrophobicContact CD1-CE3 4.47Å; L821-W897 HydrophobicContact CD1-CZ2 4.5Å; L821-W897 HydrophobicContact CD2-CB 3.79Å; L821-W897 VanDerWaalsContact CD2-CD1 3.44Å; L821-W897 HydrophobicContact CD2-CD2 3.47Å; L821-W897 VanDerWaalsContact CD2-CD2 3.47Å; L821-W897 HydrophobicContact CD2-CE3 4.15Å; L821-W897 HydrophobicContact CD2-CG 3.29Å; I825-W897 HydrophobicContact CD1-CB 4.16Å; I825-W897 HydrophobicContact CD1-CE3 4.39Å; I825-W897 WeakPolarHBondContact CD1-O 3.49Å; I825-W897 HydrophobicContact CG2-CE3 3.68Å; I825-W897 HydrophobicContact CG2-CZ3 3.9Å; I829-W897 HydrophobicContact CD1-CH2 4.48Å; I829-W897 HydrophobicContact CD1-CZ3 4.48Å; L892-W897 HydrophobicContact CB-CE3 4.14Å; L892-W897 HydrophobicContact CB-CZ3 4.36Å; L892-W897 VanDerWaalsContact O-CA 3.3Å; L892-W897 WeakPolarHBondContact O-CA 3.4Å; L892-W897 PolarHBondContact O-N 2.8Å; K893-W897 HydrophobicContact CB-CD2 4.45Å; K893-W897 HydrophobicContact CB-CE3 4.39Å; K893-W897 HydrophobicContact CB-CH2 3.65Å; K893-W897 HydrophobicContact CB-CZ2 3.66Å; K893-W897 HydrophobicContact CB-CZ3 4.02Å; K893-W897 HydrophobicContact CD-CH2 4.42Å; K893-W897 HydrophobicContact CD-CZ2 4.01Å; K893-W897 HydrophobicContact CG-CH2 4.12Å; K893-W897 HydrophobicContact CG-CZ2 3.63Å; N895-W897 VanDerWaalsContact C-N 3.3Å; N895-W897 PolarHBondContact O-N 2.96Å
898K80.3Confident71Confident142 Ų142114.9 Ų114.962%0.61756%0.556SS**  trans-84.7127.6167.6-63.8173.9-174.8173.70107.7N895 N896 M900N895-K898 PolarHBondContact ND2-O 2.85Å; N895-K898 WeakPolarHBondContact O-CB 3.28Å; N895-K898 PolarHBondContact O-N 3.41Å; N895-K898 VanDerWaalsContact O-N 3.1Å; N896-K898 PolarHBondContact O-N 3.48Å; K898-M900 PolarHBondContact O-N 3.12Å
899Q70.9Confident68.4Low108 Ų108121.1 Ų121.151%0.50558%0.576SS.*  trans-54.8124.4164.4-155.5171.2108.500106.9D901Q899-D901 PolarHBondContact O-N 3.46Å; Q899-D901 VanDerWaalsContact O-N 3.08Å
900M56.5Low66.4Low141 Ų141127.2 Ų127.270%0.69561%0.613SS**  trans-64.1113.1162.2-95.5-167.8172.700105.7K898K898-M900 PolarHBondContact O-N 3.12Å
901D48.8Very low64.1Low131 Ų131129.4 Ų129.470%0.70163%0.632SS**  trans-44.9139.5150.2-88.5-54.9000107.3Q899 H903Q899-D901 PolarHBondContact O-N 3.46Å; Q899-D901 VanDerWaalsContact O-N 3.08Å; D901-H903 PolarHBondContact O-N 3.43Å
902P52Low62.1Low120 Ų120128.2 Ų128.278%0.77964%0.637SS**  trans-69.271.6171.830-34.3000108.7D904P902-D904 PolarHBondContact O-N 2.96Å; P902-D904 VanDerWaalsContact O-N 3.09Å
903H44.8Very low60.2Low175 Ų175133.6 Ų133.681%0.8167%0.672SS**THydrogen-bonded Turntrans-54.1115.1-163.1-163-21.9000108.1D901 K905D901-H903 PolarHBondContact O-N 3.43Å; H903-K905 PolarHBondContact O-N 3.36Å
904D43.1Very low58.3Low135 Ų135136 Ų13672%0.72269%0.694SS**THydrogen-bonded Turntrans-25.3104.3-158.8-85.5-57.3000112.1P902 K906P902-D904 PolarHBondContact O-N 2.96Å; P902-D904 VanDerWaalsContact O-N 3.09Å; D904-K906 HydrophobicContact CB-CG 4.48Å; D904-K906 PolarHBondContact O-N 3.37Å
905K41.9Very low56.3Low203 Ų203137.5 Ų137.588%0.88370%0.696SS**  trans-58.490.2151.2-78.2-177.3-179.1174.50104.1H903 E907H903-K905 PolarHBondContact O-N 3.36Å; K905-E907 PolarHBondContact O-N 2.98Å
906K42.2Very low54.3Low187 Ų187144.8 Ų144.881%0.81373%0.725SS**  trans-56.691.5167.5-83.2178.6177.1168.10104.4D904 R908D904-K906 HydrophobicContact CB-CG 4.48Å; D904-K906 PolarHBondContact O-N 3.37Å; K906-R908 WeakPolarHBondContact O-CA 3.15Å; K906-R908 PolarHBondContact O-N 3.1Å
907E42.8Very low51.9Low159 Ų159148 Ų14874%0.74373%0.734SS**  trans-33.7112.3165.8174.6-167.1-135.600104.9K905 R909K905-E907 PolarHBondContact O-N 2.98Å; E907-R909 WeakPolarHBondContact O-CA 3.34Å; E907-R909 PolarHBondContact O-N 3.28Å
908R45.3Very low49.4Very low241 Ų241152.7 Ų152.791%0.90977%0.768SS**  trans-65.486.5-162.6-179.3-169.9179.9-165.52.1107.2K906 V910K906-R908 WeakPolarHBondContact O-CA 3.15Å; K906-R908 PolarHBondContact O-N 3.1Å; R908-V910 PolarHBondContact O-N 2.85Å
909R42.3Very low47.7Very low216 Ų216151.4 Ų151.482%0.81578%0.777SS**  trans-56.5115.9-156.6-90.7-165174.1-172.61108.1E907E907-R909 WeakPolarHBondContact O-CA 3.34Å; E907-R909 PolarHBondContact O-N 3.28Å
910V53.5Low46Very low129 Ų129156.5 Ų156.578%0.78280%0.797SS**PPolyproline II helixtrans-49.3126.4169-179.70000106.1R908R908-V910 PolarHBondContact O-N 2.85Å
911P45.3Very low44.8Very low109 Ų109153.2 Ų153.271%0.70880%0.799SS**PPolyproline II helixtrans-50.8130.6-174-30.736000110.8
912P52.7Low44Very low111 Ų111156.5 Ų156.572%0.72181%0.81SS**PPolyproline II helixtrans-61133.6-171.823.9-33.6000110.1V914P912-V914 PolarHBondContact O-N 3.34Å; P912-V914 VanDerWaalsContact O-N 3.16Å
913P51.9Low43.2Very low125 Ų125156.8 Ų156.881%0.81281%0.81SS**PPolyproline II helixtrans-54.6123.3-179.8-27.935.1000111.5P915P913-P915 WeakPolarHBondContact O-CD 3.5Å
914V51Low43Very low132 Ų132153.5 Ų153.580%0.880%0.804SS**PPolyproline II helixtrans-56.6124.3-172.9-177.80000110.3P912 K916P912-V914 PolarHBondContact O-N 3.34Å; P912-V914 VanDerWaalsContact O-N 3.16Å; V914-K916 PolarHBondContact O-N 3.33Å
915P49.9Very low42.9Very low111 Ų111154.5 Ų154.572%0.72181%0.808SS**PPolyproline II helixtrans-59.9122.3177.5-25.334.9000111.5P913 K917P913-P915 WeakPolarHBondContact O-CD 3.5Å; P915-K917 PolarHBondContact O-N 2.86Å; P915-K917 VanDerWaalsContact O-N 3.15Å
916K47.2Very low42.6Very low205 Ų205152.4 Ų152.489%0.89181%0.805SS**PPolyproline II helixtrans-61.1116.9172.7-67-177.4179.2-179.90109V914V914-K916 PolarHBondContact O-N 3.33Å
917K39Very low42.6Very low198 Ų198153.8 Ų153.886%0.86181%0.806SS**PPolyproline II helixtrans-60.2143.4173.5-75.6-177176.51780110.1P915P915-K917 PolarHBondContact O-N 2.86Å; P915-K917 VanDerWaalsContact O-N 3.15Å
918P37.1Very low42.5Very low128 Ų128153 Ų15383%0.83180%0.802SS**PPolyproline II helixtrans-70.9143.7-179.830-35.2000111.4
919S42.9Very low42.5Very low116 Ų116153 Ų15381%0.81180%0.802SS**PPolyproline II helixtrans-86.2133.5168.949.80000111.1
920K35Very low42.7Very low214 Ų214147.2 Ų147.293%0.9379%0.794SS**  trans-168.6125.6159.1-111.5166.3-175.4179.10107.9
921G32.9Very low42.5Very low72 Ų72148.7 Ų148.774%0.74280%0.797SS**  trans167.77.8-177.100000121.3
922Q31.3Very low42.5Very low200 Ų200150.7 Ų150.794%0.93580%0.797SS**  trans176.5155.9140.5-101.4171.74.800114.8
923V34.9Very low42.4Very low127 Ų127149.2 Ų149.277%0.7779%0.789SS**  trans-144.4138.7168.7167.80000102.5
924P41.1Very low42.5Very low106 Ų106146.9 Ų146.969%0.68878%0.776SS**  cis-131.4153.837.120.34.6000118.3
925L40.1Very low42.9Very low155 Ų155147.2 Ų147.281%0.81277%0.769SS**  34.9117.8129.5-47.7167000119.2
926I35.8Very low43.4Very low160 Ų160151.3 Ų151.382%0.82177%0.77SS**  174.4116.3107-88.4162.7000111.3
927R43.1Very low44.5Very low216 Ų216148.5 Ų148.582%0.81576%0.76SS**  trans66.1170.1148.1-129.7-179.1166.9106.21.9121.6
928E40.2Very low46.1Very low142 Ų142143 Ų14366%0.66474%0.737SS**  trans58.571.3170.5-52.3-46.9139.300119.4
929R44.6Very low47.7Very low242 Ų242139.6 Ų139.691%0.91372%0.719SS**  trans-142.998.8150.7-68.1-166.7-167-178.24.8111.6
930S47Very low49.2Very low94 Ų94142.8 Ų142.866%0.65771%0.714SS**  trans-132.4-14.4174.6-157.90000114.4
931L49.2Very low51.4Low159 Ų159140.5 Ų140.583%0.83270%0.704SS**Hα-helixtrans-84.4-28.2-169.8-74.4162.2000114.9
932E45.1Very low53.6Low151 Ų151144.1 Ų144.171%0.70670%0.695SS**Hα-helixtrans-86.5-21.6-166-163.1169-162.900114.5
933S51.6Low55.9Low80 Ų80140.6 Ų140.656%0.55968%0.682SS**Hα-helixtrans-67.2-43.9172.249.10000111.6R936 Q937S933-R936 PolarHBondContact O-N 3.41Å; S933-Q937 PolarHBondContact O-N 3.15Å; S933-Q937 VanDerWaalsContact O-N 3.15Å
934S53.4Low57.8Low76 Ų76140.5 Ų140.553%0.53168%0.675SS.*Hα-helixtrans-57.5-52.3-178.7-173.50000111.6R936 Q937 E938S934-R936 VanDerWaalsContact C-N 3.29Å; S934-R936 PolarHBondContact O-N 2.95Å; S934-Q937 PolarHBondContact O-N 3.26Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; S934-E938 WeakPolarHBondContact O-CB 3.49Å; S934-E938 PolarHBondContact O-N 2.68Å
935Q58.6Low59.5Low139 Ų139138.1 Ų138.165%0.6566%0.664SS**Hα-helixtrans-59.6-37.2-177.5-164.7176.81700112.7A939Q935-A939 WeakPolarHBondContact O-CB 3.28Å; Q935-A939 PolarHBondContact O-N 3.46Å
936R61.3Low61.1Low197 Ų197133.6 Ų133.674%0.74365%0.649SS**Hα-helixtrans-72.1-32.5178.1-159.8175.3-162.6170.87.3113S933 S934 R940S933-R936 PolarHBondContact O-N 3.41Å; S934-R936 VanDerWaalsContact C-N 3.29Å; S934-R936 PolarHBondContact O-N 2.95Å; R936-R940 PolarHBondContact O-N 3.25Å
937Q69.5Low63Low146 Ų146133.5 Ų133.568%0.68264%0.643SS**Hα-helixtrans-80.1-35.5177.6-160162.5-1.400111.3S933 S934 R940 K941S933-Q937 PolarHBondContact O-N 3.15Å; S933-Q937 VanDerWaalsContact O-N 3.15Å; S934-Q937 PolarHBondContact O-N 3.26Å; S934-Q937 VanDerWaalsContact O-N 3.08Å; Q937-R940 PolarHBondContact O-N 3.16Å; Q937-K941 PolarHBondContact O-N 3.01Å
938E72.8Confident64.3Low84 Ų84132.5 Ų132.539%0.39364%0.639SS.*Hα-helixtrans-67-40.3172.4-159.7-166.1-162.200111.8S934 R940 K941 R942S934-E938 WeakPolarHBondContact O-CB 3.49Å; S934-E938 PolarHBondContact O-N 2.68Å; E938-R940 VanDerWaalsContact C-N 3.33Å; E938-R940 PolarHBondContact O-N 3.2Å; E938-K941 CarbonylContact O-C 3.59Å; E938-K941 PolarHBondContact O-N 2.93Å; E938-K941 VanDerWaalsContact O-N 3.12Å; E938-R942 VanDerWaalsContact CD-CZ 3.41Å; E938-R942 PolarHBondContact O-N 3.42Å; E938-R942 IonicContact OE1-CZ 2.71Å; E938-R942 IonicContact OE1-NH1 3.23Å; E938-R942 PolarHBondContact OE1-NH1 3.43Å; E938-R942 IonicContact OE1-NH2 2.74Å; E938-R942 PolarHBondContact OE1-NH2 2.87Å; E938-R942 IonicContact OE2-CZ 3.4Å; E938-R942 IonicContact OE2-NH1 2.65Å; E938-R942 PolarHBondContact OE2-NH1 3.19Å; E938-R942 IonicContact OE2-NH2 2.72Å; E938-R942 PolarHBondContact OE2-NH2 3.25Å
939A71.4Confident65.6Low55 Ų55128.4 Ų128.446%0.45563%0.629SS.*Hα-helixtrans-58.7-42.5172.100000112.2Q935 R942 L943Q935-A939 WeakPolarHBondContact O-CB 3.28Å; Q935-A939 PolarHBondContact O-N 3.46Å; A939-R942 PolarHBondContact O-N 3.45Å; A939-L943 PolarHBondContact O-N 3.23Å
940R75.5Confident66.4Low183 Ų183119.5 Ų119.569%0.69161%0.608SS**Hα-helixtrans-63.7-39.7172.6-75.2177.4167.2-172.7-5.7112.2R936 Q937 E938 L943 M944R936-R940 PolarHBondContact O-N 3.25Å; Q937-R940 PolarHBondContact O-N 3.16Å; E938-R940 VanDerWaalsContact C-N 3.33Å; E938-R940 PolarHBondContact O-N 3.2Å; R940-L943 PolarHBondContact O-N 2.92Å; R940-M944 WeakPolarHBondContact O-CG 3.5Å; R940-M944 PolarHBondContact O-N 3.32Å; R940-M944 VanDerWaalsContact O-N 3.1Å
941K79.6Confident67.1Low167 Ų167117.9 Ų117.973%0.72660%0.596SS**Hα-helixtrans-66.7-40.5176.7-161.3173-175.5177.50111.9Q937 E938 M944 A945Q937-K941 PolarHBondContact O-N 3.01Å; E938-K941 CarbonylContact O-C 3.59Å; E938-K941 PolarHBondContact O-N 2.93Å; E938-K941 VanDerWaalsContact O-N 3.12Å; K941-M944 PolarHBondContact O-N 3.04Å; K941-A945 WeakPolarHBondContact O-CB 3.33Å; K941-A945 PolarHBondContact O-N 3.41Å
942R78.7Confident67.5Low148 Ų148115.2 Ų115.256%0.55859%0.586SS**Hα-helixtrans-61.3-44.7172.4-75.2-170.4178.693.314111.9E938 A939 M944 A945 A946E938-R942 VanDerWaalsContact CD-CZ 3.41Å; E938-R942 PolarHBondContact O-N 3.42Å; E938-R942 IonicContact OE1-CZ 2.71Å; E938-R942 IonicContact OE1-NH1 3.23Å; E938-R942 PolarHBondContact OE1-NH1 3.43Å; E938-R942 IonicContact OE1-NH2 2.74Å; E938-R942 PolarHBondContact OE1-NH2 2.87Å; E938-R942 IonicContact OE2-CZ 3.4Å; E938-R942 IonicContact OE2-NH1 2.65Å; E938-R942 PolarHBondContact OE2-NH1 3.19Å; E938-R942 IonicContact OE2-NH2 2.72Å; E938-R942 PolarHBondContact OE2-NH2 3.25Å; A939-R942 PolarHBondContact O-N 3.45Å; R942-M944 PolarHBondContact O-N 3.36Å; R942-A945 PolarHBondContact O-N 2.9Å; R942-A946 WeakPolarHBondContact O-CB 3.5Å; R942-A946 PolarHBondContact O-N 3.2Å
943L80.8Confident68.1Low126 Ų126117.8 Ų117.866%0.6659%0.589SS**Hα-helixtrans-61-44.4177.8-176.562.8000112.1A939 R940 A946 K947A939-L943 PolarHBondContact O-N 3.23Å; R940-L943 PolarHBondContact O-N 2.92Å; L943-A946 PolarHBondContact O-N 3.29Å; L943-K947 WeakPolarHBondContact O-CB 3.42Å; L943-K947 PolarHBondContact O-N 3.47Å
944M74.9Confident68.3Low124 Ų124121.1 Ų121.161%0.61160%0.596SS**Hα-helixtrans-68.5-35.2177.1-66.6-66.7-81.200112.6R940 K941 R942 R948R940-M944 WeakPolarHBondContact O-CG 3.5Å; R940-M944 PolarHBondContact O-N 3.32Å; R940-M944 VanDerWaalsContact O-N 3.1Å; K941-M944 PolarHBondContact O-N 3.04Å; R942-M944 PolarHBondContact O-N 3.36Å; M944-R948 PolarHBondContact O-N 2.95Å
945A76.6Confident68.2Low57 Ų57123 Ų12347%0.47160%0.601SS.*Hα-helixtrans-67.3-43.9173.800000112.1K941 R942 K947 R948 A949K941-A945 WeakPolarHBondContact O-CB 3.33Å; K941-A945 PolarHBondContact O-N 3.41Å; R942-A945 PolarHBondContact O-N 2.9Å; A945-K947 VanDerWaalsContact C-N 3.34Å; A945-K947 PolarHBondContact O-N 3.49Å; A945-R948 PolarHBondContact O-N 3.18Å; A945-A949 PolarHBondContact O-N 2.92Å
946A74.4Confident67.9Low59 Ų59120.6 Ų120.649%0.48860%0.599SS.*Hα-helixtrans-61-41.3174.800000111.7R942 L943 R948 A949 A950R942-A946 WeakPolarHBondContact O-CB 3.5Å; R942-A946 PolarHBondContact O-N 3.2Å; L943-A946 PolarHBondContact O-N 3.29Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 3.37Å; A946-A949 PolarHBondContact O-N 2.87Å; A946-A950 PolarHBondContact O-N 3.47Å
947K75.1Confident67.4Low159 Ų159114.6 Ų114.669%0.69159%0.591SS**Hα-helixtrans-61.9-38.4176-169.4170.6-177.51760112.7L943 A945 S951L943-K947 WeakPolarHBondContact O-CB 3.42Å; L943-K947 PolarHBondContact O-N 3.47Å; A945-K947 VanDerWaalsContact C-N 3.34Å; A945-K947 PolarHBondContact O-N 3.49Å; K947-S951 PolarHBondContact O-N 3.2Å
948R70.6Confident66.4Low194 Ų194110.6 Ų110.673%0.73258%0.577SS**Hα-helixtrans-67.3-44.7171.6-72.4-178.2-179.7162.8-1112.1M944 A945 A946 A950 S951 V952M944-R948 PolarHBondContact O-N 2.95Å; A945-R948 PolarHBondContact O-N 3.18Å; A946-R948 VanDerWaalsContact C-N 3.34Å; A946-R948 PolarHBondContact O-N 3.37Å; R948-A950 VanDerWaalsContact C-N 3.29Å; R948-A950 PolarHBondContact O-N 3.09Å; R948-S951 PolarHBondContact O-N 3.12Å; R948-V952 WeakPolarHBondContact O-CG2 3.42Å; R948-V952 PolarHBondContact O-N 3.12Å
949A66.4Low65.3Low56 Ų56115.6 Ų115.646%0.46360%0.6SS.*Hα-helixtrans-64.6-30.4-18000000113.4A945 A946A945-A949 PolarHBondContact O-N 2.92Å; A946-A949 PolarHBondContact O-N 2.87Å
950A62Low64.3Low56 Ų56118 Ų11846%0.46361%0.614SS.*Hα-helixtrans-69.6-47.4171.500000111.8A946 R948 V952 R953 Q954A946-A950 PolarHBondContact O-N 3.47Å; R948-A950 VanDerWaalsContact C-N 3.29Å; R948-A950 PolarHBondContact O-N 3.09Å; A950-V952 PolarHBondContact O-N 2.84Å; A950-R953 WeakPolarHBondContact O-CB 3.41Å; A950-R953 PolarHBondContact O-N 2.94Å; A950-Q954 PolarHBondContact O-N 3.23Å
951S61Low63Low60 Ų60113.1 Ų113.142%0.4261%0.613SS.*Hα-helixtrans-58.8-43.3177.4170.40000112.5K947 R948 R953 Q954 N955K947-S951 PolarHBondContact O-N 3.2Å; R948-S951 PolarHBondContact O-N 3.12Å; S951-R953 PolarHBondContact O-N 3.02Å; S951-R953 VanDerWaalsContact O-N 3.12Å; S951-Q954 PolarHBondContact O-N 3.03Å; S951-N955 PolarHBondContact O-N 2.73Å; S951-N955 PolarHBondContact O-OD1 3.05Å
952V58.7Low61.5Low102 Ų102112.1 Ų112.162%0.61861%0.611SS**Hα-helixtrans-59.3-25.8176.4171.70000112.8R948 A950R948-V952 WeakPolarHBondContact O-CG2 3.42Å; R948-V952 PolarHBondContact O-N 3.12Å; A950-V952 PolarHBondContact O-N 2.84Å
953R57.8Low59.9Low205 Ų205110.2 Ų110.277%0.77462%0.62SS**Hα-helixtrans-84.8-15.7177.3-70.3-179.1178.3-139-1.8114.6A950 S951A950-R953 WeakPolarHBondContact O-CB 3.41Å; A950-R953 PolarHBondContact O-N 2.94Å; S951-R953 PolarHBondContact O-N 3.02Å; S951-R953 VanDerWaalsContact O-N 3.12Å
954Q54.7Low58.4Low150 Ų150111.3 Ų111.370%0.70163%0.625SS**Hα-helixtrans-84-43.2170.6-70.6-171.4-82.600110.7A950 S951 S956 A957A950-Q954 PolarHBondContact O-N 3.23Å; S951-Q954 PolarHBondContact O-N 3.03Å; Q954-S956 PolarHBondContact O-N 2.91Å; Q954-S956 VanDerWaalsContact O-N 3.12Å; Q954-A957 WeakPolarHBondContact O-CB 3.24Å; Q954-A957 PolarHBondContact O-N 2.82Å
955N51.2Low57.1Low117 Ų117114.6 Ų114.663%0.62664%0.639SS**THydrogen-bonded Turntrans-66-12.6-179-71.867.8000114.8S951S951-N955 PolarHBondContact O-N 2.73Å; S951-N955 PolarHBondContact O-OD1 3.05Å
956S52Low55.6Low87 Ų87119 Ų11961%0.60865%0.653SS**THydrogen-bonded Turntrans-95.411.3177.263.80000114Q954Q954-S956 PolarHBondContact O-N 2.91Å; Q954-S956 VanDerWaalsContact O-N 3.12Å
957A51.5Low54.1Low71 Ų71125.9 Ų125.959%0.58767%0.668SS**SBendtrans-109-7.2-175.500000114.4Q954Q954-A957 WeakPolarHBondContact O-CB 3.24Å; Q954-A957 PolarHBondContact O-N 2.82Å
958T49.4Very low52.7Low63 Ų63125 Ų12539%0.38767%0.669SS.*SBendtrans-111.6-16.5-172.359.20000114.3E476 S960E476-T958 VanDerWaalsContact OE1-CB 3.26Å; E476-T958 WeakPolarHBondContact OE1-CB 3.26Å; E476-T958 PolarHBondContact OE1-OG1 3.04Å; E476-T958 WeakPolarHBondContact OE2-CG2 3.42Å; T958-S960 PolarHBondContact O-N 3.06Å
959E49Very low51.6Low188 Ų188120.7 Ų120.788%0.87967%0.666SS**THydrogen-bonded Turntrans-71.84.7-175.6-151.2-174.515600115.3
960S50.3Low50.5Low105 Ų105126.3 Ų126.373%0.73468%0.683SS**THydrogen-bonded Turntrans-121.37.9-170.757.60000115.7T958T958-S960 PolarHBondContact O-N 3.06Å
961A48.7Very low49.5Very low82 Ų82128 Ų12868%0.67870%0.697SS**  trans-97.8-22.3-177.800000114.9S963A961-S963 PolarHBondContact O-N 3.45Å
962E47.1Very low48.5Very low146 Ų146132.6 Ų132.668%0.68271%0.712SS**  trans-8968.9-169.1-167.8158.4-15100113.1
963S45.9Very low47.9Very low107 Ų107134.3 Ų134.375%0.74872%0.723SS**  trans-157.763170.746.40000113.6A961A961-S963 PolarHBondContact O-N 3.45Å
964I49.4Very low47.6Very low150 Ų150134.1 Ų134.177%0.76972%0.722SS**  trans-125.5111.8169.2-58.6-178000110.2
965E47.5Very low46.9Very low193 Ų193138.8 Ų138.890%0.90275%0.751SS**  trans-80.4118.1179-173.3173.2-140.300110.5Y967E965-Y967 PolarHBondContact O-N 3.48Å
966I45.1Very low46.7Very low149 Ų149139.9 Ų139.976%0.76476%0.757SS**  trans-91.6104.5-175.9-58.6-179.9000110.6I968I966-I968 PolarHBondContact O-N 3.43Å
967Y42.2Very low46.5Very low203 Ų203142.7 Ų142.780%0.79677%0.765SS**PPolyproline II helixtrans-70121.8172.6-179.1-96.7000111.6E965 P969E965-Y967 PolarHBondContact O-N 3.48Å; Y967-P969 WeakPolarHBondContact O-CD 3.5Å
968I46.1Very low46.2Very low141 Ų141146.7 Ų146.772%0.72378%0.775SS**PPolyproline II helixtrans-88.1121.4175.7-58.4176.1000109.1I966 E970I966-I968 PolarHBondContact O-N 3.43Å; I968-E970 PolarHBondContact O-N 3.1Å
969P47.2Very low46Very low104 Ų104151.6 Ų151.668%0.67580%0.797SS**PPolyproline II helixtrans-67.3117.8173.8-19.633.3000111.4Y967 A971Y967-P969 WeakPolarHBondContact O-CD 3.5Å; P969-A971 PolarHBondContact O-N 3.36Å
970E43.3Very low45.8Very low173 Ų173149.3 Ų149.381%0.80879%0.792SS**PPolyproline II helixtrans-67.1125.6177-172.2175-136.300110.8I968 Q972I968-E970 PolarHBondContact O-N 3.1Å; E970-Q972 PolarHBondContact O-N 3.25Å; E970-Q972 VanDerWaalsContact O-N 3.1Å
971A40.6Very low45.5Very low91 Ų91152.3 Ų152.375%0.75280%0.796SS**  trans-73.1102.9179.500000110.3P969 T973P969-A971 PolarHBondContact O-N 3.36Å; A971-T973 PolarHBondContact O-N 2.94Å
972Q41.2Very low45.3Very low157 Ų157157.3 Ų157.373%0.73481%0.805SS**  trans-64.8101179.3-77.8-168.9-14.700112.2E970 R974E970-Q972 PolarHBondContact O-N 3.25Å; E970-Q972 VanDerWaalsContact O-N 3.1Å; Q972-R974 PolarHBondContact O-N 2.71Å
973T46.6Very low45.1Very low139 Ų139158.2 Ų158.285%0.85381%0.814SS**  trans-64.3116.6152.3410000108.9A971A971-T973 PolarHBondContact O-N 2.94Å
974R50.6Low45Very low200 Ų200162.4 Ų162.476%0.75582%0.82SS**  trans-139.5107.9168.8-83.6-164.2163.7-154.8-5111.7Q972Q972-R974 PolarHBondContact O-N 2.71Å
975L40.8Very low44.7Very low249 Ų249163.5 Ų163.5100%1.30482%0.824SS**  trans63.20162.5-62.6162.5000114.8

Retrieved 975 of 975 residues in 469.1 ms (Link to these results)