A0A060CZQ6_MAIZE Loading...

Zinc finger CCCH domain-containing protein 55

AlphaFold DB (K7TI82), UniProt , Accession A0A060CZQ6, Species MAIZE (Zea mays, Maize), Gene n/a, Length 962 aa.

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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
1M35.9Very low47.4Very low227 Ų227172.5 Ų172.5100%1.11882%0.823SS**  0100.70-64.2157.4178.800106.4
2T44Very low47.9Very low119 Ų119177.7 Ų177.773%0.7383%0.829SS**  60.51177263.80000111.4
3N40.7Very low48.1Very low153 Ų153173.2 Ų173.282%0.81881%0.814SS**  cis-135.9154.918.2-76.5-47.7000114.4
4E45.1Very low48.3Very low154 Ų154171.3 Ų171.372%0.7282%0.82SS**  trans-72164.4165.4-64171.473.200112.1
5T51.9Low48.7Very low142 Ų142173 Ų17387%0.87182%0.823SS**  trans-146.285150.1-240000111.4K7T5-K7 PolarHBondContact O-N 3.25Å
6R48.2Very low48.4Very low219 Ų219174.1 Ų174.183%0.82683%0.827SS**  trans-70.5105-173.8-173.8175.9-174.9155.8-3.9112.1H8R6-H8 PolarHBondContact O-N 3.27Å
7K56.5Low48Very low205 Ų205167.9 Ų167.989%0.89182%0.82SS**  trans-71.5113.8170.7-79.2-178.1177.4173.60110.4T5T5-K7 PolarHBondContact O-N 3.25Å
8H49.5Very low47.9Very low184 Ų184164 Ų16485%0.85281%0.812SS**PPolyproline II helixtrans-68.3136.2-178.9-159.5-73.8000111.5R6R6-H8 PolarHBondContact O-N 3.27Å
9R47.3Very low47.7Very low215 Ų215163.4 Ų163.481%0.81181%0.813SS**PPolyproline II helixtrans-71.4157.7173.9-74.2-175.7174.2-123.72.4111.3
10S46.2Very low47.7Very low77 Ų77162 Ų16254%0.53881%0.813SS.*PPolyproline II helixtrans-75.7151.6179.9112.90000111.9W12S10-W12 PolarHBondContact O-N 2.94Å
11K56Low47.6Very low202 Ų202160.3 Ų160.388%0.87881%0.811SS**THydrogen-bonded Turntrans-7928.2-166.4-155.5179.9176.8178.90114.8
12W54Low48Very low235 Ų235157.6 Ų157.689%0.8980%0.795SS**THydrogen-bonded Turntrans-131.7-14.4-173.7-61.1108.7000114.8S10S10-W12 PolarHBondContact O-N 2.94Å
13D50.5Low48Very low119 Ų119159.4 Ų159.464%0.63680%0.799SS**  trans-100.389.8175.9-69.1-62.4000111.2
14T50.5Low48.2Very low147 Ų147156.8 Ų156.890%0.90279%0.793SS**  trans160.9111.4143.532.10000111.8
15K53.5Low48.6Very low197 Ų197156.5 Ų156.586%0.85780%0.796SS**  -164.8101.5125-169.8154.5-172.8173.40110.6
16E44.4Very low48.5Very low190 Ų190156.4 Ų156.489%0.88879%0.79SS**  trans-140.6149.1167.8-177170.4-116.100106.4
17G41.2Very low48.2Very low69 Ų69154.5 Ų154.571%0.71179%0.791SS**  trans73.290.7175.800000115.7
18S46.5Very low47.9Very low98 Ų98149.5 Ų149.569%0.68578%0.781SS**  trans-155.686.314864.60000109.1
19D44Very low47.9Very low153 Ų153145.7 Ų145.782%0.81877%0.773SS**  trans-60.2154.6162.6-53.3-80.3000110.4
20V48.2Very low47.8Very low134 Ų134140.6 Ų140.681%0.81276%0.762SS**  trans167.9111.1136.6152.20000110
21V45.4Very low47.9Very low127 Ų127144.6 Ų144.677%0.7777%0.77SS**  trans63.3135.5140.2-179.60000120.5
22E44.1Very low47.1Very low170 Ų170141.3 Ų141.379%0.79477%0.767SS**  trans-73.7143.9169.4-55.3158.7102.800112.3
23I44.8Very low46.5Very low157 Ų157133.5 Ų133.581%0.80576%0.759SS**  trans-136.7133135.3-7498.7000106.7
24S44.3Very low46.2Very low98 Ų98134 Ų13469%0.68577%0.767SS**  trans-108.8144.7166.8-59.80000108.8
25D53.7Low45.9Very low148 Ų148135.5 Ų135.579%0.79176%0.763SS**  trans-173.4134.6151.8-80.3-37.4000104.3
26D49.3Very low45.3Very low140 Ų140136.2 Ų136.275%0.74976%0.76SS**  62.2131.256.7-83.2-92000113.6
27E43.4Very low45.6Very low179 Ų179137.4 Ų137.484%0.83676%0.763SS**  cis-144.9-174.9-9.6-151-171.412.400109.5
28S49.1Very low45.5Very low100 Ų100138 Ų13870%0.69977%0.769SS**  trans-94.4-162.2169.5-140.60000108.9
29P49.7Very low45.3Very low104 Ų104137 Ų13768%0.67577%0.774SS**  cis-142.4-170-0.830.9-4.6000116.7
30D45.2Very low45.2Very low108 Ų108137.2 Ų137.258%0.57878%0.775SS**  103.3153.3125.5-135.5-11.8000122.3
31K48.3Very low45Very low162 Ų162138.1 Ų138.170%0.70478%0.775SS**  trans58.5141.5158.7-76.4137.7-172.4149.80119.8
32T40.2Very low44.9Very low132 Ų132140.2 Ų140.281%0.8178%0.775SS**  cis164.1141.1-21.731.70000106.3
33G41.1Very low44.9Very low72 Ų72138.3 Ų138.374%0.74278%0.776SS**  trans147.699.7173.200000112.1
34V43.1Very low45Very low130 Ų130137.9 Ų137.979%0.78877%0.768SS**  78.790.955.4-174.70000114.1
35H45.3Very low45.3Very low177 Ų177139.1 Ų139.182%0.81977%0.774SS**  trans-172.1129.6144.7-119.6-108.1000107.3
36R41.2Very low44.7Very low213 Ų213137.7 Ų137.780%0.80477%0.766SS**  cis91.3126.634.3-81.4-163.8169.4-163.7-1.2115.4
37K48.8Very low44.4Very low215 Ų215138 Ų13894%0.93577%0.773SS**  trans72.1144.2-177.1-57-179.9176.8-178.30114.6
38G40Very low44.2Very low82 Ų82134 Ų13485%0.84577%0.765SS**  cis131.7137.7-7.400000113.3
39G42.1Very low44.2Very low77 Ų77137.3 Ų137.379%0.79477%0.771SS**  trans153.2120.9175.700000113.5
40D41.8Very low43.9Very low157 Ų157139.3 Ų139.384%0.8477%0.772SS**  trans-97.2-177.1-179.8-62.9-92.9000113
41L44.8Very low43.9Very low153 Ų153143 Ų14380%0.80179%0.785SS**  trans98.1132.1153.2-60.3170.4000120.6
42H43.3Very low43.5Very low170 Ų170146.8 Ų146.879%0.78780%0.795SS**  trans71.3145.6156.4-70.7-149.3000116.9
43T44Very low43.4Very low130 Ų130143.9 Ų143.980%0.79879%0.791SS**  cis-145.6159.38.3-27.40000111.2
44K46.7Very low43.4Very low148 Ų148145.9 Ų145.964%0.64380%0.8SS**  trans-78.3175.9158.2-60.9-174.5161.1-154.90111.1D46K44-D46 WeakPolarHBondContact CD-OD2 3.33Å; K44-D46 IonicContact NZ-OD1 3.89Å; K44-D46 PolarHBondContact NZ-OD1 2.99Å; K44-D46 IonicContact NZ-OD2 3.18Å; K44-D46 PolarHBondContact NZ-OD2 2.73Å
45P51.3Low43.2Very low125 Ų125143.3 Ų143.381%0.81280%0.8SS**  -137161.78137.3-23.6000115.1
46D39.6Very low42.9Very low117 Ų117143 Ų14363%0.62680%0.799SS**  trans-86.5152173.9-49.5-90.9000111.6K44K44-D46 WeakPolarHBondContact CD-OD2 3.33Å; K44-D46 IonicContact NZ-OD1 3.89Å; K44-D46 PolarHBondContact NZ-OD1 2.99Å; K44-D46 IonicContact NZ-OD2 3.18Å; K44-D46 PolarHBondContact NZ-OD2 2.73Å
47T42.8Very low42.8Very low147 Ų147139.7 Ų139.790%0.90279%0.792SS**  trans-150.9130.8151.9-39.10000111.5
48S40.4Very low42.6Very low95 Ų95137.3 Ų137.366%0.66478%0.782SS**  trans-132.4147.7175170.10000108.7
49M48.4Very low42.5Very low169 Ų169140.5 Ų140.583%0.83378%0.775SS**  trans-161.8160156.9-102.6-76.5100.700110
50H44Very low42.5Very low147 Ų147146.5 Ų146.568%0.68178%0.782SS**  trans-103.8168.2-170.2-63-101.5000113.2
51H44.7Very low42.5Very low184 Ų184142.6 Ų142.685%0.85277%0.772SS**  trans168.3107.7137.6-83-59.5000106.8
52R39Very low42.3Very low243 Ų243143.1 Ų143.192%0.91778%0.775SS**  73.491.157.7-162.5-169-135-106.25.3115.1
53G39.2Very low42Very low71 Ų71138.6 Ų138.673%0.73277%0.774SS**  trans113.8103.5132.800000119.6
54A40.9Very low41.9Very low113 Ų113137.1 Ų137.193%0.93477%0.769SS**  trans43.4126.1139.400000122.5
55G38.9Very low41.5Very low76 Ų76137.3 Ų137.378%0.78478%0.778SS**  134.8132.8127.900000119.2
56H38.8Very low41.2Very low171 Ų171139.8 Ų139.879%0.79278%0.778SS**  trans76.499.8149.4-133.4-80.1000122.1
57E39.4Very low41.9Very low144 Ų144139.9 Ų139.967%0.67378%0.779SS**  trans36.6129.8140.2-50.4-162144.100124.6
58K43.5Very low42.1Very low165 Ų165139.5 Ų139.572%0.71777%0.768SS**  trans88.2134132.4-90179.8169.3177.40122.9
59E39.1Very low42.9Very low149 Ų149143 Ų14370%0.69677%0.772SS**  trans33.1113.2143.3-64.8171.489.200119.1
60H41.1Very low42.9Very low203 Ų203141.6 Ų141.694%0.9476%0.763SS**  -162.3-176.7114.3-99.5-64.8000109.9
61A42.3Very low42.9Very low75 Ų75141.3 Ų141.362%0.6276%0.764SS**  trans-132178.5-161.100000114.4
62D40Very low43Very low164 Ų164140.8 Ų140.888%0.87776%0.761SS**  trans75.8119.9156.1-55.7-41000121.6
63G38.9Very low43.2Very low75 Ų75136.3 Ų136.377%0.77375%0.751SS**  trans86.5162.2147.700000119.3
64S41.3Very low43.3Very low99 Ų99142.4 Ų142.469%0.69276%0.757SS**  cis-174.8139.6-21.550.40000112.1
65N38.6Very low43.2Very low152 Ų152141.1 Ų141.181%0.81375%0.746SS**  trans61.8178159.6-51.2-22.9000115.3
66E44.8Very low43.4Very low176 Ų176143.3 Ų143.382%0.82275%0.747SS**  cis-121.7-173.97.4-68.3-178.2133.300109.9
67D53.9Low43.3Very low119 Ų119140.3 Ų140.364%0.63675%0.745SS**  cis-167.5157.331.2-158.5-6.8000115.6
68M47.5Very low43.2Very low140 Ų140140.7 Ų140.769%0.6975%0.747SS**  trans67.7136.4149.4-109.9-179.3-78.200126
69K55.6Low42.8Very low169 Ų169143 Ų14374%0.73575%0.751SS**  trans80.5140155.4-69-169175.2-167.40120.5
70E48.8Very low42.8Very low138 Ų138141.6 Ų141.665%0.64576%0.758SS**  cis-159.1114.3-17-160.2165135.400112.7
71M45.7Very low42.6Very low141 Ų141141 Ų14170%0.69576%0.755SS**  trans51.1110.3134.3-146.4138.859.200122.5
72Q45Very low42.4Very low173 Ų173142.7 Ų142.781%0.80876%0.76SS**  173.3136.7103.7-85.5-151.616.700117.6
73H43.2Very low42Very low149 Ų149142.8 Ų142.869%0.6976%0.76SS**  trans-24.9172171.3-53-72.3000126.6
74K41.1Very low42Very low199 Ų199150 Ų15087%0.86576%0.764SS**  trans87.5135.8149.4-117.366.5174.7-169.50116.2
75A40.6Very low41.9Very low86 Ų86152.2 Ų152.271%0.71177%0.765SS**  cis-165.1170.5-19.800000108.4
76P42.3Very low42.1Very low122 Ų122150.2 Ų150.279%0.79276%0.758SS**  trans-118.9170.5-154.342.7-34.5000118.1
77S36.5Very low42.1Very low108 Ų108147.8 Ų147.876%0.75575%0.751SS**  trans90.3159.4142.2-144.30000121.2
78E37.8Very low41.7Very low152 Ų152148.4 Ų148.471%0.7175%0.75SS**  trans76.2117.9161.8-63.9-111.7114.200120.6
79R34.9Very low41.4Very low213 Ų213150 Ų15080%0.80475%0.748SS**  73.2103.7123.6-167.4-177.2-165.3157.2-1.2120.1
80S39.2Very low40.9Very low121 Ų121148 Ų14885%0.84675%0.745SS**  -170.1156.9115.6-82.90000113
81Q37.1Very low40.3Very low189 Ų189148.3 Ų148.388%0.88375%0.752SS**  trans-97.4169180-101.2-168.4400112.6
82P38.5Very low39.9Very low112 Ų112149.4 Ų149.473%0.72776%0.76SS**  trans-87.9-164.3-166.437.8-39000114.3
83L31.4Very low39.4Very low165 Ų165148.8 Ų148.886%0.86476%0.757SS**  trans88.295.3-176.7-55.6176.7000116
84R38Very low39Very low228 Ų228152 Ų15286%0.8676%0.763SS**  trans-159.7164.7131.4-59.3-157.3-174-152.4-3.6106.4
85M38.3Very low38.7Very low144 Ų144146.1 Ų146.171%0.70975%0.747SS**  cis-142.2158.2-5.3-131.5116.1176.300104.7
86V44.1Very low38.8Very low110 Ų110150.3 Ų150.367%0.66775%0.749SS**  52.9118.173.3-172.40000110.3
87D43.8Very low38.8Very low125 Ų125148.1 Ų148.167%0.66874%0.742SS**  cis-144.1152.642.6-88.8-57.3000115.7
88E45.2Very low38.9Very low132 Ų132149.9 Ų149.962%0.61775%0.748SS**  52.7157.7129.5-58-177.1111.600123.4
89R42.3Very low38.9Very low175 Ų175145.9 Ų145.966%0.6675%0.748SS**  cis-153.71651.9-133.8176.4-92.7143.60.3111.9
90D44.5Very low39Very low125 Ų125142.9 Ų142.967%0.66875%0.748SS**  trans48.1119.9156.6-50.1-37.9000120.1
91N36Very low38.9Very low146 Ų146146.4 Ų146.478%0.78175%0.751SS**  cis70.711034.8-63.5-34.5000117.1
92N38.3Very low38.9Very low164 Ų164141.3 Ų141.388%0.87775%0.749SS**  trans165.7105.1160.8-90.4-29.3000104
93E33.9Very low38.7Very low159 Ų159142.6 Ų142.674%0.74376%0.755SS**  cis57.297.629.4-166.3161.7169.800115.3
94W34.3Very low39Very low217 Ų217141 Ų14182%0.82275%0.747SS**  trans-139.8109.3147-179.2-96000109.7K96W94-K96 VanDerWaalsContact CZ2-NZ 3.27Å
95S36.1Very low38.7Very low76 Ų76139.7 Ų139.753%0.53174%0.742SS.*  trans-83.7145.5-178.9-69.90000112.7
96K42.3Very low38.3Very low173 Ų173143.5 Ų143.575%0.75275%0.75SS**  trans161.5142.4152.8-88143.6-160.3165.90109.7W94W94-K96 VanDerWaalsContact CZ2-NZ 3.27Å
97A41.5Very low38Very low76 Ų76142.6 Ų142.663%0.62875%0.754SS**  cis-162.1160.8-14.300000110.1
98T39.9Very low37.9Very low146 Ų146144 Ų14490%0.89676%0.762SS**  trans49.8128.4157.150.50000120.3
99G37.3Very low37.7Very low68 Ų68141 Ų14170%0.70175%0.75SS**  cis167.9167.2-1.900000112.5
100N37.7Very low37.7Very low150 Ų150141.8 Ų141.880%0.80275%0.753SS**  trans58.2122.1175.2-63.5-8.7000116.8
101Q36.3Very low37.7Very low195 Ų195144.7 Ų144.791%0.91176%0.755SS**  61.9119.455.1-59.1-159.444.200113.9
102G36.5Very low38.1Very low82 Ų82148.1 Ų148.185%0.84576%0.757SS**  trans169.193.1177.300000111.9
103T36Very low38.3Very low138 Ų138143.4 Ų143.485%0.84775%0.747SS**  trans-96.5151.6170.751.10000110.8
104N35.9Very low38.7Very low132 Ų132143.3 Ų143.371%0.70675%0.751SS**  trans82.5137.3155.5-142.710000118.6
105R32.4Very low39.1Very low201 Ų201136.4 Ų136.476%0.75875%0.747SS**  trans74120.8154.6-71.2171.5-175.6174.80.5122.9
106Y30.3Very low38.7Very low223 Ų223145.7 Ų145.788%0.87577%0.771SS**  trans74.2148.5137.3-83.3-108.3000121.8
107A37.3Very low38.3Very low91 Ų91140.6 Ų140.675%0.75277%0.768SS**  trans62.3131.5176.300000115.3
108D41.8Very low38Very low155 Ų155143.7 Ų143.783%0.82978%0.779SS**  cis72.5152.728.9-148.2-11.9000113.9
109D41.1Very low37.8Very low70 Ų70141.1 Ų141.137%0.37477%0.772SS.*  trans66.6152.1-172.2-101.3-28.7000116R111D109-R111 IonicContact OD1-CZ 3.39Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.69Å; D109-R111 IonicContact OD1-NH2 2.62Å; D109-R111 PolarHBondContact OD1-NH2 3.18Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 2.78Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 2.73Å
110R43.4Very low38Very low191 Ų191143.6 Ų143.672%0.72178%0.776SS**  cis-125.5140.51.6-100.7105.9-146.8168.618.1109.7
111R44Very low37.9Very low185 Ų185140.5 Ų140.570%0.69877%0.766SS**  59.6149.386.3-54.4-177.9-144.3-164.15.2113.7D109D109-R111 IonicContact OD1-CZ 3.39Å; D109-R111 IonicContact OD1-NE 2.65Å; D109-R111 PolarHBondContact OD1-NE 2.69Å; D109-R111 IonicContact OD1-NH2 2.62Å; D109-R111 PolarHBondContact OD1-NH2 3.18Å; D109-R111 IonicContact OD2-CZ 2.67Å; D109-R111 IonicContact OD2-NE 2.78Å; D109-R111 IonicContact OD2-NH2 2.66Å; D109-R111 PolarHBondContact OD2-NH2 2.73Å
112R44.3Very low37.9Very low219 Ų219141.4 Ų141.483%0.82676%0.761SS**  cis-134.9169.225.5-60.5163.9-167.1-95.7-1.3109
113G41.7Very low38Very low64 Ų64143 Ų14366%0.6675%0.75SS**  cis146.7163.920.300000106.5
114D42.9Very low38.1Very low157 Ų157146.5 Ų146.584%0.8475%0.75SS**  cis-148.8172.74.6-64.2-59.6000106.7
115G41.6Very low38.4Very low72 Ų72144.6 Ų144.674%0.74275%0.746SS**  cis147.4123.1-0.300000109.7
116W28.5Very low38.8Very low272 Ų272139.6 Ų139.6100%1.0374%0.742SS**  trans-90.1124.9170.3-78.386.4000109.5
117G33.5Very low39.3Very low66 Ų66132.6 Ų132.668%0.6873%0.73SS**  trans143.7102.4162.300000117.8
118T36.4Very low39.6Very low141 Ų141139.3 Ų139.387%0.86574%0.736SS**  trans72.189134.9-42.90000120.5
119A34.7Very low39.7Very low91 Ų91136 Ų13675%0.75273%0.731SS**  trans68.6163.4136.500000120.4
120P41.2Very low39.9Very low121 Ų121138.3 Ų138.379%0.78675%0.749SS**  cis-123.9-172.5-16.340-25.8000113.6
121S36.8Very low39.6Very low84 Ų84134.5 Ų134.559%0.58775%0.752SS**  trans81.1101.3152.5-1730000120.5
122R34.9Very low39.1Very low215 Ų215133 Ų13381%0.81176%0.757SS**  trans75.2138.1132.8-65.5-176.1173.8129-3.1119.2
123D39.9Very low39.2Very low115 Ų115127.2 Ų127.262%0.61575%0.748SS**  cis-152.8145.4-2.6-104.6-34.8000112.6
124Y36.9Very low39.1Very low212 Ų212131.7 Ų131.783%0.83176%0.757SS**  trans59.7149156.7-83.9-121000119
125S41.8Very low38.8Very low91 Ų91127.1 Ų127.164%0.63674%0.742SS**  cis-175.2158-16.9-110.50000107.5
126S41.9Very low38.6Very low96 Ų96134.1 Ų134.167%0.67175%0.746SS**  cis-163.8159.8-7.2-166.50000109.7
127A40.6Very low39.2Very low76 Ų76130.5 Ų130.563%0.62873%0.732SS**  trans66.7154.7153.400000119.5
128R42.8Very low39.7Very low233 Ų233132.3 Ų132.388%0.87972%0.722SS**  cis-170.7161.5-17.3-100.9169.3-130.2-156.33104.6
129A45.7Very low39.6Very low86 Ų86135.3 Ų135.371%0.71172%0.718SS**  cis-172.7161.5-24.300000106.1
130P45.2Very low39.7Very low118 Ų118135.3 Ų135.377%0.76671%0.713SS**  trans-98.7175.5-172.839.4-36.1000113.7
131S36Very low39.3Very low110 Ų110140.7 Ų140.777%0.76972%0.717SS**  171.2118.7127.2-74.20000114.9
132D34.8Very low39.2Very low153 Ų153142.1 Ų142.182%0.81873%0.728SS**  63.2-170.9124.7-130.910.6000119.6
133P45.9Very low39.2Very low98 Ų98137.4 Ų137.464%0.63672%0.724SS**  -128.9-153.3-115.144.5-25.9000115.1
134D39Very low38.9Very low158 Ų158137.4 Ų137.485%0.84573%0.733SS**  trans70152.9173.9-94.6-29.7000116.1
135A36.3Very low39Very low62 Ų62132.6 Ų132.651%0.51273%0.728SS.*  cis-157.8-164.2-3.600000110
136W38.4Very low38.4Very low219 Ų219140.2 Ų140.283%0.8374%0.743SS**  trans75.693167-54.677.2000114.8
137R41.3Very low38Very low196 Ų196139.1 Ų139.174%0.7475%0.747SS**  66.3136.980-66.7172.2169.9-886.1112.2
138Q42.2Very low37.8Very low103 Ų103142 Ų14248%0.48176%0.757SS.*  cis-151.9144.439.2-69-77.29.800112.9
139R36Very low37.3Very low204 Ų204141.7 Ų141.777%0.7776%0.756SS**  trans61.2144142.2-62169.5-138.3-905.1119.8
140S36.3Very low37Very low92 Ų92143.6 Ų143.664%0.64375%0.754SS**  cis-171.1144.4-14.249.30000113.6
141R32.8Very low36.4Very low233 Ų233146.5 Ų146.588%0.87975%0.754SS**  trans69101.5147.9-67165.8-167.1-82.23.5119.9
142S35.4Very low36.3Very low115 Ų115144.8 Ų144.880%0.80474%0.743SS**  -53.8153.6125.2-24.70000109.9
143P34.5Very low36.4Very low115 Ų115148.6 Ų148.675%0.74775%0.746SS**  -144.3-175.758.939.3-19.9000115.1
144S32.7Very low36Very low115 Ų115154.7 Ų154.780%0.80476%0.756SS**  trans-61.8141.2163.3-52.90000110.8
145P38.8Very low35.7Very low112 Ų112152.8 Ų152.873%0.72775%0.746SS**  -146.617197.139.7-25.1000115.9
146R30.8Very low35.6Very low250 Ų250157.1 Ų157.194%0.94375%0.749SS**  trans1.5129.8150.2-56168.5176.1-122.90.7117.7
147G32.6Very low35.2Very low73 Ų73151 Ų15175%0.75374%0.74SS**  trans170.397.915600000118.8
148V36.5Very low34.7Very low138 Ų138151.1 Ų151.184%0.83674%0.74SS**  trans36.3124.4140.6-166.90000121.1
149W32.9Very low34.2Very low225 Ų225151.6 Ų151.685%0.85275%0.754SS**  trans-36.7152.6166.7-48.6-49.6000119.1
150N38.4Very low34Very low126 Ų126154 Ų15467%0.67476%0.764SS**  178153.8113.3-83.4-47.3000108.2
151K33.6Very low33.8Very low179 Ų179154 Ų15478%0.77876%0.764SS**  cis-166157-14-103.3159.9178.4157.50105
152S33.6Very low33.7Very low75 Ų75152.6 Ų152.652%0.52476%0.759SS.*  cis-172.5172.3-14.660.50000109.9
153R36.6Very low33.5Very low232 Ų232150.3 Ų150.388%0.87574%0.742SS**  trans74.4132.3161.9-60.3159.1-156.2-118.90.7114.9
154R37.8Very low33.3Very low227 Ų227155.1 Ų155.186%0.85775%0.746SS**  cis-135.8128.74.5-92.6162.6-179.4158.8-1.1112
155N33.1Very low33.1Very low118 Ų118153.2 Ų153.263%0.63173%0.732SS**  20.5139.7120.7-67.8-20000119
156R32.9Very low32.9Very low152 Ų152159.3 Ų159.357%0.57474%0.741SS**  cis-161.6127.18.4-100.4154.1-175.8167.4-2.9107.8V826R156-V826 HydrophobicContact CB-CG2 3.4Å; R156-V826 VanDerWaalsContact CB-CG2 3.4Å; R156-V826 HydrophobicContact CG-CG2 4.25Å
157S30.6Very low32.8Very low91 Ų91152 Ų15264%0.63673%0.727SS**  8213572-54.90000116.9
158R31.4Very low33Very low199 Ų199159.7 Ų159.775%0.75173%0.734SS**  trans84.7100169.5-57.6179.3177.8120.12.2115
159S30.2Very low32.8Very low112 Ų112159.9 Ų159.978%0.78373%0.73SS**  cis80.813541.7-45.80000114.9S161S159-S161 PolarHBondContact O-N 3.43Å
160R32.5Very low32.8Very low255 Ų255160.5 Ų160.596%0.96273%0.732SS**  trans-57.5116.9175.4-66.7172.1167112.1-5.7111.1
161S31.6Very low32.5Very low93 Ų93159.3 Ų159.365%0.6573%0.734SS**  trans-145.7157.9168.7-89.80000112.8S159 T830S159-S161 PolarHBondContact O-N 3.43Å; S161-T830 WeakPolarHBondContact O-CG2 3.27Å
162R30.8Very low32.5Very low203 Ų203163.1 Ų163.177%0.76674%0.743SS**  trans-117.8170.6174.1-74.5177.1167.8132.2-12.2109V831 A832R162-V831 WeakPolarHBondContact CA-O 3.3Å; R162-V831 WeakPolarHBondContact CB-O 3.46Å; R162-V831 WeakPolarHBondContact CG-O 3.47Å; R162-A832 HydrophobicContact CB-CB 4.14Å
163S30.6Very low32.5Very low66 Ų66164.4 Ų164.446%0.46275%0.752SS.*  trans74.3137.5-179.9-63.50000116.5T830 V831 A832S163-T830 CarbonylContact C-O 3.51Å; S163-T830 WeakPolarHBondContact O-CB 3.33Å; S163-T830 PolarHBondContact O-OG1 3.08Å; S163-V831 PolarHBondContact N-O 2.71Å; S163-V831 VanDerWaalsContact N-O 3.16Å; S163-A832 WeakPolarHBondContact OG-CB 3.42Å
164R31.7Very low32.5Very low217 Ų217165.6 Ų165.682%0.81976%0.757SS**  cis-155.699.6-10.6-172-178.9-170.9-177.92.4113.5T830R164-T830 CarbonylContact C-O 3.55Å; R164-T830 WeakPolarHBondContact CA-O 3.21Å; R164-T830 PolarHBondContact N-O 3.44Å
165S28.5Very low32.2Very low74 Ų74159.5 Ų159.552%0.51775%0.749SS.*  trans68.6140.5150.1-50.60000122.5T830S165-T830 PolarHBondContact N-O 2.95Å; S165-T830 VanDerWaalsContact N-O 3.14Å
166R33.9Very low32.3Very low241 Ų241165.2 Ų165.291%0.90976%0.762SS**  trans176.7118.9144.7-93.8144.1-176.6151.8-1.7109
167S29.9Very low32.2Very low95 Ų95162.5 Ų162.566%0.66477%0.766SS**  cis96.197.132.176.20000115.1
168R36.7Very low32.5Very low236 Ų236166.7 Ų166.789%0.89178%0.779SS**  trans176.899.5154.4-95.2151.7-170.8-164.91.8106.5
169N31Very low32.7Very low141 Ų141160.1 Ų160.175%0.75477%0.774SS**  64.5129.684.3-60.15.9000111.5
170R34.3Very low32.9Very low239 Ų239167 Ų16790%0.90278%0.783SS**  cis-135.2132.620.9-65.4170.6167.6110.4-8.3109.5
171S31.1Very low32.9Very low100 Ų100158.5 Ų158.570%0.69978%0.775SS**  76.597.163.7-550000115.2
172R34.7Very low33Very low259 Ų259166.3 Ų166.398%0.97779%0.79SS**  trans-15397.3146.2-116.2172.7-174.2138.92.4110.1
173S33.2Very low33.2Very low103 Ų103159.8 Ų159.872%0.7279%0.786SS**  trans-90.2154.4-175.4-43.90000111.9
174R34.9Very low33.2Very low257 Ų257168.2 Ų168.297%0.9781%0.808SS**  trans-152.9103.7139.9-112.4161.5-169.9146.22.5110.4
175S31.8Very low33.2Very low99 Ų99163.2 Ų163.269%0.69281%0.806SS**  trans-80.8153.9179.4-42.70000111.6
176R35Very low33.6Very low238 Ų238171 Ų17190%0.89882%0.824SS**  -175.6101.2126.4-91.4143.3-172.4175.40.5106.4
177S30.8Very low33.7Very low95 Ų95164.9 Ų164.966%0.66482%0.818SS**  76.7139.470.969.90000112.9
178I36.8Very low34.3Very low178 Ų178165 Ų16591%0.91382%0.817SS**  trans76.3123.4-167-47.8166000111.9
179G35.8Very low34.2Very low62 Ų62163.8 Ų163.864%0.63981%0.814SS**  cis174.6158-11.400000114.6
180R36.2Very low34.6Very low255 Ų255165.2 Ų165.296%0.96282%0.82SS**  trans59.2117.8163.6-51.2-175.7-167.5-88.23.6117.9
181G32Very low34.9Very low78 Ų78157.2 Ų157.280%0.80481%0.805SS**  trans-98.8139164.100000113.1
182R34.1Very low35.3Very low257 Ų257159.3 Ų159.397%0.9781%0.808SS**  trans-147.3156.9154.9-74.8-169.7177.3-170.3-1.9105.9
183G33.4Very low35.5Very low66 Ų66158.7 Ų158.768%0.6881%0.806SS**  cis132.658.88.500000111
184R31.5Very low35.5Very low242 Ų242156 Ų15691%0.91379%0.794SS**SBendtrans64.5162.2-172.4-67.1-177.4169.9-171.6-2.9115.7
185S32.3Very low35.5Very low112 Ų112149.7 Ų149.778%0.78379%0.79SS**SBendtrans54.9106163.742.30000120.8
186R35.5Very low36.1Very low237 Ų237152.5 Ų152.589%0.89479%0.792SS**  trans34.9113.3147.7-69.3-175.2173.3-176.8-2.3120.7
187S36.5Very low36.2Very low113 Ų113149.7 Ų149.779%0.7978%0.781SS**  trans72.417013777.80000117.6
188P42Very low37Very low98 Ų98155 Ų15564%0.63679%0.787SS**  cis-138.4-176.55.745.1-27.8000117.8
189Y35.2Very low37.4Very low210 Ų210152.6 Ų152.682%0.82478%0.78SS**  trans51.6111.4158.8-64.5-62.6000123
190I39.8Very low37.9Very low172 Ų172155.3 Ų155.388%0.88278%0.776SS**  -127.2153.4112.6-64.4-174.6000106.6
191A40.5Very low37.8Very low71 Ų71154.8 Ų154.859%0.58777%0.774SS**  trans-82.9179.1-170.400000115.3
192D39Very low38Very low144 Ų144154 Ų15477%0.7777%0.767SS**  trans60.180.9159.1-54.1-48.1000119.6
193R38.5Very low38.2Very low245 Ų245153.8 Ų153.893%0.92577%0.766SS**  -163.4151.6124.8-106174.8-165.297.9-4.2112.2
194G33.3Very low38.7Very low47 Ų47156.8 Ų156.849%0.48577%0.771SS.*  trans-66.7173.9-167.800000117.7E196G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 PolarHBondContact O-N 2.96Å
195S36.3Very low39.3Very low125 Ų125151.9 Ų151.987%0.87477%0.774SS**THydrogen-bonded Turntrans-82.833.4-163.252.60000116.4
196E43.6Very low40.1Very low158 Ų158150 Ų15074%0.73877%0.773SS**THydrogen-bonded Turntrans-104-26.8-167.8-65.5173.889.300114.9G194 R198G194-E196 VanDerWaalsContact C-N 3.31Å; G194-E196 PolarHBondContact O-N 2.96Å; E196-R198 PolarHBondContact O-N 2.82Å
197W37.3Very low40.8Very low178 Ų178141 Ų14167%0.67475%0.753SS**THydrogen-bonded Turntrans-71.98.3-159.755.4-95.7000117.4
198R46.8Very low41.7Very low207 Ų207141.1 Ų141.178%0.78175%0.751SS**THydrogen-bonded Turntrans-106.3-12.3-179.3-74.6-164.6-177.7-115.46.1116.3E196E196-R198 PolarHBondContact O-N 2.82Å
199V45.9Very low42.7Very low128 Ų128140.6 Ų140.678%0.77675%0.746SS**SBendtrans-84.6-30.7-168.2-174.50000113.8R201V199-R201 PolarHBondContact O-N 2.78Å
200E45.8Very low44.5Very low119 Ų119136.1 Ų136.156%0.55673%0.728SS**  trans-87.623.5-162.7-63.2-170.199.600118.1R210E200-R210 IonicContact OE2-CZ 3.59Å; E200-R210 IonicContact OE2-NE 2.69Å; E200-R210 PolarHBondContact OE2-NE 2.98Å; E200-R210 IonicContact OE2-NH2 2.73Å; E200-R210 PolarHBondContact OE2-NH2 2.78Å
201R34.4Very low46.7Very low243 Ų243130.6 Ų130.692%0.91770%0.703SS**  trans-11762.4177.9-92.4-168.5-75.6178.6-3114.2V199V199-R201 PolarHBondContact O-N 2.78Å
202G35.9Very low48.9Very low63 Ų63127.2 Ų127.265%0.64968%0.675SS**SBendtrans-14560.4-178.900000115.9
203R39.8Very low51.3Low251 Ų251130 Ų13095%0.94768%0.675SS**  trans36.678.5161.9-59.1-173.3-175.6-167.34118.6
204T42.3Very low53.6Low130 Ų130121.2 Ų121.280%0.79865%0.646SS**  trans-141.6143.8149.644.50000110.6G206T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 3.49Å; T204-G206 VanDerWaalsContact O-N 3.16Å
205S44.5Very low56.2Low139 Ų139120.5 Ų120.597%0.97263%0.63SS**THydrogen-bonded Turntrans-88.945.8-172.8-54.80000113
206G48.6Very low58.6Low73 Ų73119.5 Ų119.575%0.75362%0.618SS**THydrogen-bonded Turntrans-149.812.5-17200000116.4T204T204-G206 VanDerWaalsContact C-N 3.27Å; T204-G206 PolarHBondContact O-N 3.49Å; T204-G206 VanDerWaalsContact O-N 3.16Å
207G50Low60.5Low47 Ų47113.9 Ų113.949%0.48560%0.599SS.*SBendtrans-86.2161.7169.100000112V209G207-V209 PolarHBondContact O-N 3.01Å
208P56.7Low62.7Low115 Ų115109 Ų10975%0.74760%0.604SS**  trans-54.7131.517723.4-33.6000110.7R210P208-R210 PolarHBondContact O-N 3.14Å
209V62.4Low64.7Low88 Ų88107 Ų10753%0.53360%0.597SS.*  trans-74.595-163.7-167.60000110.4G207 L229G207-V209 PolarHBondContact O-N 3.01Å; V209-L229 HydrophobicContact CB-CD1 4.03Å; V209-L229 HydrophobicContact CB-CD2 4.46Å; V209-L229 HydrophobicContact CB-CG 3.84Å; V209-L229 HydrophobicContact CG1-CD2 4.24Å; V209-L229 HydrophobicContact CG1-CG 3.76Å; V209-L229 WeakPolarHBondContact O-CD1 3.42Å; V209-L229 WeakPolarHBondContact O-CG 3.38Å
210R73.9Confident66.7Low115 Ų115102 Ų10243%0.43457%0.567SS.*  trans-51.3135.4-177.8-76.5168.4152.9-119.3-4112.1E200 P208 F228 L229E200-R210 IonicContact OE2-CZ 3.59Å; E200-R210 IonicContact OE2-NE 2.69Å; E200-R210 PolarHBondContact OE2-NE 2.98Å; E200-R210 IonicContact OE2-NH2 2.73Å; E200-R210 PolarHBondContact OE2-NH2 2.78Å; P208-R210 PolarHBondContact O-N 3.14Å; R210-F228 WeakPolarHBondContact O-CB 3.41Å; R210-L229 PolarHBondContact O-N 2.97Å
211P84.6Confident68.6Low56 Ų56108.4 Ų108.436%0.36459%0.586SS.*BIsolated β-bridgetrans-66.8151.3177.126.9-34.2000112.1R213 V216 L229 E231P211-R213 PolarHBondContact O-N 3.48Å; P211-V216 HydrophobicContact CB-CG2 4.47Å; P211-L229 WeakPolarHBondContact CA-O 3.44Å; P211-E231 HydrophobicContact CB-CG 4.32Å; P211-E231 WeakPolarHBondContact CB-OE2 3.4Å
212C87.5Confident70.9Confident0 Ų0101.8 Ų101.80%056%0.561CS.*  trans-73.7107.7-172.9178.60000111D214 F215 V216 R222 C226 F228 L229 H230C212-D214 PolarHBondContact O-N 3.07Å; C212-D214 VanDerWaalsContact O-N 3.15Å; C212-F215 HydrophobicContact CB-CB 3.56Å; C212-F215 HydrophobicContact CB-CG 4.47Å; C212-F215 WeakPolarHBondContact O-CA 3.22Å; C212-F215 VanDerWaalsContact O-CB 3.3Å; C212-F215 WeakPolarHBondContact O-CB 3.23Å; C212-F215 PolarHBondContact O-N 3.15Å; C212-F215 VanDerWaalsContact SG-CB 3.58Å; C212-V216 PolarHBondContact O-N 3.33Å; C212-R222 PolarHBondContact SG-NH2 2.86Å; C212-C226 PolarHBondContact SG-SG 2.94Å; C212-F228 HydrophobicContact CB-CB 3.6Å; C212-L229 VanDerWaalsContact CB-O 3.27Å; C212-L229 WeakPolarHBondContact CB-O 3.14Å; C212-L229 PolarHBondContact N-O 3.04Å; C212-H230 VanDerWaalsContact CB-CD2 3.49Å; C212-H230 WeakPolarHBondContact CB-CD2 3.35Å
213R88.3Confident72.8Confident204 Ų204100.8 Ų100.877%0.7755%0.551SS**THydrogen-bonded Turntrans-61.6-22.4178.4-73.2-174.9168.5-163-7114.9P211 A217P211-R213 PolarHBondContact O-N 3.48Å; R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.49Å
214D88.8Confident74.6Confident59 Ų5994.6 Ų94.632%0.31655%0.546SS..THydrogen-bonded Turntrans-77.2-27.5172.2-64.9-42.7000111.7C212 A217 G218 R219 C220 R222C212-D214 PolarHBondContact O-N 3.07Å; C212-D214 VanDerWaalsContact O-N 3.15Å; D214-A217 CarbonylContact O-C 3.57Å; D214-G218 PolarHBondContact O-N 3.16Å; D214-R219 CarbonylContact O-C 3.57Å; D214-R219 WeakPolarHBondContact O-CA 3.37Å; D214-R219 PolarHBondContact O-N 2.67Å; D214-C220 HydrophobicContact CB-CB 3.89Å; D214-C220 PolarHBondContact O-N 2.79Å; D214-C220 VanDerWaalsContact O-N 3.08Å; D214-R222 IonicContact OD2-CZ 3.6Å; D214-R222 IonicContact OD2-NH1 2.7Å; D214-R222 PolarHBondContact OD2-NH1 2.85Å; D214-R222 IonicContact OD2-NH2 3.37Å; D214-R222 PolarHBondContact OD2-NH2 3.32Å
215F87.8Confident76.3Confident32 Ų3295.2 Ų95.214%0.1454%0.544CS..THydrogen-bonded Turntrans-83.9-50-175.7175.8-92.8000111.1C212 A217 G218 C220 H230 D232C212-F215 HydrophobicContact CB-CB 3.56Å; C212-F215 HydrophobicContact CB-CG 4.47Å; C212-F215 WeakPolarHBondContact O-CA 3.22Å; C212-F215 VanDerWaalsContact O-CB 3.3Å; C212-F215 WeakPolarHBondContact O-CB 3.23Å; C212-F215 PolarHBondContact O-N 3.15Å; C212-F215 VanDerWaalsContact SG-CB 3.58Å; F215-A217 PolarHBondContact O-N 3.43Å; F215-G218 PolarHBondContact O-N 3.43Å; F215-C220 HydrophobicContact CB-CB 3.67Å; F215-C220 HydrophobicContact CD2-CB 4.28Å; F215-H230 HydrophobicContact CD1-CB 4.29Å; F215-H230 HydrophobicContact CD2-CB 4.02Å; F215-H230 AromaticContact CD2-CD2 3.5Å; F215-H230 AromaticContact CD2-CE1 3.39Å; F215-H230 WeakPolarHBondContact CD2-CE1 3.16Å; F215-H230 AromaticContact CD2-CG 3.36Å; F215-H230 AromaticContact CD2-ND1 3.29Å; F215-H230 VanDerWaalsContact CD2-ND1 3.29Å; F215-H230 WeakPolarHBondContact CD2-ND1 3.28Å; F215-H230 AromaticContact CD2-NE2 3.52Å; F215-H230 VanDerWaalsContact CE1-C 3.45Å; F215-H230 VanDerWaalsContact CE1-CA 3.45Å; F215-H230 HydrophobicContact CE1-CB 3.85Å; F215-H230 HydrophobicContact CE2-CB 3.51Å; F215-H230 AromaticContact CE2-CD2 3.95Å; F215-H230 AromaticContact CE2-CE1 3.81Å; F215-H230 AromaticContact CE2-CG 3.3Å; F215-H230 AromaticContact CE2-ND1 3.22Å; F215-H230 WeakPolarHBondContact CE2-ND1 3.26Å; F215-H230 HydrophobicContact CG-CB 4.32Å; F215-H230 AromaticContact CG-CD2 3.57Å; F215-H230 AromaticContact CG-CG 3.79Å; F215-H230 AromaticContact CG-NE2 3.82Å; F215-H230 HydrophobicContact CZ-CB 3.35Å; F215-H230 AromaticContact CZ-CG 3.69Å; F215-D232 HydrophobicContact CE1-CB 4.24Å; F215-D232 HydrophobicContact CE2-CB 4.4Å; F215-D232 WeakPolarHBondContact CE2-OD2 3.41Å; F215-D232 HydrophobicContact CZ-CB 3.53Å; F215-D232 VanDerWaalsContact CZ-OD1 3.31Å; F215-D232 WeakPolarHBondContact CZ-OD1 3.4Å; F215-D232 WeakPolarHBondContact CZ-OD2 3.11Å
216V86.5Confident78.3Confident104 Ų10489.5 Ų89.563%0.6350%0.504SS*.THydrogen-bonded Turntrans-55-15.9168.41780000112.1P211 C212P211-V216 HydrophobicContact CB-CG2 4.47Å; C212-V216 PolarHBondContact O-N 3.33Å
217A82.6Confident80Confident41 Ų4196.6 Ų96.634%0.33951%0.508SS..THydrogen-bonded Turntrans-115.219.5176.400000114.5R213 D214 F215 R219R213-A217 VanDerWaalsContact O-CB 3.27Å; R213-A217 WeakPolarHBondContact O-CB 3.49Å; D214-A217 CarbonylContact O-C 3.57Å; F215-A217 PolarHBondContact O-N 3.43Å; A217-R219 PolarHBondContact O-N 2.91Å; A217-R219 PolarHBondContact O-NH1 3.16Å
218G84.5Confident81.6Confident76 Ų7699.4 Ų99.478%0.78451%0.507SS*.THydrogen-bonded Turntrans69.521169.600000116.7D214 F215D214-G218 PolarHBondContact O-N 3.16Å; F215-G218 PolarHBondContact O-N 3.43Å
219R87.6Confident82.7Confident164 Ų16498.3 Ų98.362%0.61950%0.495SS*.  trans-124.6-3.4-172-67.4-175-57-84.11.2115.4D214 A217 R221D214-R219 CarbonylContact O-C 3.57Å; D214-R219 WeakPolarHBondContact O-CA 3.37Å; D214-R219 PolarHBondContact O-N 2.67Å; A217-R219 PolarHBondContact O-N 2.91Å; A217-R219 PolarHBondContact O-NH1 3.16Å; R219-R221 PolarHBondContact O-N 3.14Å; R219-R221 VanDerWaalsContact O-N 3.08Å
220C89.1Confident83.8Confident24 Ų2496.8 Ų96.816%0.16248%0.482CS..  trans-76.599-174.1-167.40000113.2D214 F215 R222 C226 H230D214-C220 HydrophobicContact CB-CB 3.89Å; D214-C220 PolarHBondContact O-N 2.79Å; D214-C220 VanDerWaalsContact O-N 3.08Å; F215-C220 HydrophobicContact CB-CB 3.67Å; F215-C220 HydrophobicContact CD2-CB 4.28Å; C220-R222 PolarHBondContact O-N 2.66Å; C220-C226 VanDerWaalsContact SG-SG 3.68Å; C220-H230 VanDerWaalsContact SG-CE1 3.6Å; C220-H230 PolarHBondContact SG-NE2 3.33Å
221R85.2Confident83.8Confident252 Ų25297.6 Ų97.695%0.95149%0.49SS*.THydrogen-bonded Turntrans-80.416.6173.5-63.3-177.5177.6-105.5-0.9114.7R219R219-R221 PolarHBondContact O-N 3.14Å; R219-R221 VanDerWaalsContact O-N 3.08Å
222R81.7Confident82.3Confident105 Ų105101 Ų10140%0.39651%0.505SS..THydrogen-bonded Turntrans-95.8-12.9-173.9-63.4179.9-69.1-104-2.3114.3C212 D214 C220 N225 C226C212-R222 PolarHBondContact SG-NH2 2.86Å; D214-R222 IonicContact OD2-CZ 3.6Å; D214-R222 IonicContact OD2-NH1 2.7Å; D214-R222 PolarHBondContact OD2-NH1 2.85Å; D214-R222 IonicContact OD2-NH2 3.37Å; D214-R222 PolarHBondContact OD2-NH2 3.32Å; C220-R222 PolarHBondContact O-N 2.66Å; R222-N225 CarbonylContact O-C 3.36Å; R222-N225 WeakPolarHBondContact O-CA 3.23Å; R222-N225 WeakPolarHBondContact O-CB 3.32Å; R222-N225 PolarHBondContact O-N 3.15Å; R222-N225 VanDerWaalsContact O-N 3.09Å; R222-C226 HydrophobicContact CB-CB 3.89Å; R222-C226 PolarHBondContact NE-SG 2.96Å
223G76.8Confident80.2Confident41 Ų41105.2 Ų105.242%0.42355%0.549SS..G310 helixtrans53.5-142.6-178.200000112.6N225 C226 H230G223-N225 PolarHBondContact O-N 2.65Å; G223-C226 WeakPolarHBondContact O-CB 3.4Å; G223-C226 PolarHBondContact O-N 2.96Å; G223-H230 PolarHBondContact O-CE1 3.47Å; G223-H230 PolarHBondContact O-ND1 2.97Å
224S77.8Confident77.7Confident121 Ų12198.8 Ų98.885%0.84655%0.547SS*.G310 helixtrans-60.3-23172.849.60000114.1C226S224-C226 PolarHBondContact O-N 3.22Å; S224-C226 VanDerWaalsContact O-N 3.12Å
225N77.6Confident75.3Confident143 Ų143104.9 Ų104.977%0.76557%0.573SS**G310 helixtrans-78.317.1175.4-69.1-49000113.5R222 G223R222-N225 CarbonylContact O-C 3.36Å; R222-N225 WeakPolarHBondContact O-CA 3.23Å; R222-N225 WeakPolarHBondContact O-CB 3.32Å; R222-N225 PolarHBondContact O-N 3.15Å; R222-N225 VanDerWaalsContact O-N 3.09Å; G223-N225 PolarHBondContact O-N 2.65Å
226C86.5Confident73Confident20 Ų20114 Ų11414%0.13561%0.606CS.*  trans-82.4132.7174.9-163.40000112C212 C220 R222 G223 S224 F228 H230C212-C226 PolarHBondContact SG-SG 2.94Å; C220-C226 VanDerWaalsContact SG-SG 3.68Å; R222-C226 HydrophobicContact CB-CB 3.89Å; R222-C226 PolarHBondContact NE-SG 2.96Å; G223-C226 WeakPolarHBondContact O-CB 3.4Å; G223-C226 PolarHBondContact O-N 2.96Å; S224-C226 PolarHBondContact O-N 3.22Å; S224-C226 VanDerWaalsContact O-N 3.12Å; C226-F228 PolarHBondContact O-N 3.49Å; C226-F228 VanDerWaalsContact O-N 3.08Å; C226-H230 WeakPolarHBondContact CB-NE2 3.43Å; C226-H230 PolarHBondContact SG-NE2 3.03Å
227R84.4Confident70.6Confident221 Ų221114.3 Ų114.383%0.83461%0.611SS**SBendtrans-78.217.6178.9-62.1-177.161.6155.13.7114.6
228F83Confident68.3Low106 Ų106121.9 Ų121.947%0.46564%0.636SS.*SBendtrans-148.5143.2-174.9-63.6-71.8000107.8R210 C212 C226 H230R210-F228 WeakPolarHBondContact O-CB 3.41Å; C212-F228 HydrophobicContact CB-CB 3.6Å; C226-F228 PolarHBondContact O-N 3.49Å; C226-F228 VanDerWaalsContact O-N 3.08Å; F228-H230 PolarHBondContact O-CD2 3.18Å
229L80.2Confident66.3Low92 Ų92123.1 Ų123.148%0.48263%0.625SS.*BIsolated β-bridgetrans-60.5146.7-173.2-73.7-177.1000113.1V209 R210 P211 C212V209-L229 HydrophobicContact CB-CD1 4.03Å; V209-L229 HydrophobicContact CB-CD2 4.46Å; V209-L229 HydrophobicContact CB-CG 3.84Å; V209-L229 HydrophobicContact CG1-CD2 4.24Å; V209-L229 HydrophobicContact CG1-CG 3.76Å; V209-L229 WeakPolarHBondContact O-CD1 3.42Å; V209-L229 WeakPolarHBondContact O-CG 3.38Å; R210-L229 PolarHBondContact O-N 2.97Å; P211-L229 WeakPolarHBondContact CA-O 3.44Å; C212-L229 VanDerWaalsContact CB-O 3.27Å; C212-L229 WeakPolarHBondContact CB-O 3.14Å; C212-L229 PolarHBondContact N-O 3.04Å
230H86.2Confident63.9Low57 Ų57122.8 Ų122.826%0.26464%0.636SS.*  trans-114100.3177.3-84-160000107.3C212 F215 C220 G223 C226 F228 D232C212-H230 VanDerWaalsContact CB-CD2 3.49Å; C212-H230 WeakPolarHBondContact CB-CD2 3.35Å; F215-H230 HydrophobicContact CD1-CB 4.29Å; F215-H230 HydrophobicContact CD2-CB 4.02Å; F215-H230 AromaticContact CD2-CD2 3.5Å; F215-H230 AromaticContact CD2-CE1 3.39Å; F215-H230 WeakPolarHBondContact CD2-CE1 3.16Å; F215-H230 AromaticContact CD2-CG 3.36Å; F215-H230 AromaticContact CD2-ND1 3.29Å; F215-H230 VanDerWaalsContact CD2-ND1 3.29Å; F215-H230 WeakPolarHBondContact CD2-ND1 3.28Å; F215-H230 AromaticContact CD2-NE2 3.52Å; F215-H230 VanDerWaalsContact CE1-C 3.45Å; F215-H230 VanDerWaalsContact CE1-CA 3.45Å; F215-H230 HydrophobicContact CE1-CB 3.85Å; F215-H230 HydrophobicContact CE2-CB 3.51Å; F215-H230 AromaticContact CE2-CD2 3.95Å; F215-H230 AromaticContact CE2-CE1 3.81Å; F215-H230 AromaticContact CE2-CG 3.3Å; F215-H230 AromaticContact CE2-ND1 3.22Å; F215-H230 WeakPolarHBondContact CE2-ND1 3.26Å; F215-H230 HydrophobicContact CG-CB 4.32Å; F215-H230 AromaticContact CG-CD2 3.57Å; F215-H230 AromaticContact CG-CG 3.79Å; F215-H230 AromaticContact CG-NE2 3.82Å; F215-H230 HydrophobicContact CZ-CB 3.35Å; F215-H230 AromaticContact CZ-CG 3.69Å; C220-H230 VanDerWaalsContact SG-CE1 3.6Å; C220-H230 PolarHBondContact SG-NE2 3.33Å; G223-H230 PolarHBondContact O-CE1 3.47Å; G223-H230 PolarHBondContact O-ND1 2.97Å; C226-H230 WeakPolarHBondContact CB-NE2 3.43Å; C226-H230 PolarHBondContact SG-NE2 3.03Å; F228-H230 PolarHBondContact O-CD2 3.18Å; H230-D232 PolarHBondContact O-N 3.37Å
231E72.3Confident61.6Low132 Ų132128.8 Ų128.862%0.61766%0.661SS**  trans-83.529.8-177.2-61.9174.1124.600113.6P211 G233P211-E231 HydrophobicContact CB-CG 4.32Å; P211-E231 WeakPolarHBondContact CB-OE2 3.4Å; E231-G233 PolarHBondContact O-N 3.1Å
232D54.1Low59.3Low126 Ų126126.2 Ų126.267%0.67465%0.652SS**  trans-73117.1172.3-80.3-17.2000108.1F215 H230 G234F215-D232 HydrophobicContact CE1-CB 4.24Å; F215-D232 HydrophobicContact CE2-CB 4.4Å; F215-D232 WeakPolarHBondContact CE2-OD2 3.41Å; F215-D232 HydrophobicContact CZ-CB 3.53Å; F215-D232 VanDerWaalsContact CZ-OD1 3.31Å; F215-D232 WeakPolarHBondContact CZ-OD1 3.4Å; F215-D232 WeakPolarHBondContact CZ-OD2 3.11Å; H230-D232 PolarHBondContact O-N 3.37Å; D232-G234 PolarHBondContact O-N 3.06Å
233G42.7Very low57.5Low89 Ų89125.9 Ų125.992%0.91866%0.664SS**  trans-72.468.2-178.600000113.9E231E231-G233 PolarHBondContact O-N 3.1Å
234G36.5Very low55.7Low70 Ų70128.3 Ų128.372%0.72268%0.68SS**  trans-97.391.4174.800000113.1D232D232-G234 PolarHBondContact O-N 3.06Å
235H39.4Very low53.8Low187 Ų187129 Ų12987%0.86667%0.674SS**  trans59.5107.7165.7-98-83.7000120.4
236R38.4Very low52Low222 Ų222127.4 Ų127.484%0.83867%0.672SS**  trans-81.7-171.2136.8-68.4-171.6175.8-153.61.6108.4
237P37.1Very low49.7Very low112 Ų112137.2 Ų137.273%0.72771%0.706SS**  cis-133.7166-3.341.3-25000116.1
238F34Very low47.3Very low199 Ų199133.1 Ų133.187%0.87370%0.696SS**  -143.7158127.8-139-95.3000108.3
239D41.1Very low45.4Very low103 Ų103137 Ų13755%0.55171%0.708SS**  trans-136.6134.4-168.1-161.1-65.9000109.2H241D239-H241 IonicContact OD1-CE1 2.68Å; D239-H241 PolarHBondContact OD1-CE1 3.34Å; D239-H241 IonicContact OD1-CG 3.37Å; D239-H241 IonicContact OD1-ND1 3.48Å; D239-H241 PolarHBondContact OD1-ND1 3.39Å; D239-H241 IonicContact OD2-CE1 3.18Å; D239-H241 IonicContact OD2-ND1 2.73Å
240D38.1Very low43.3Very low157 Ų157142.2 Ų142.284%0.8472%0.723SS**  trans-15289.1174.6-97.9-50.2000108.8
241H41.4Very low41.1Very low149 Ų149142.5 Ų142.569%0.6974%0.741SS**  trans-88.8143.6166.6-69.574.2000109.9D239D239-H241 IonicContact OD1-CE1 2.68Å; D239-H241 PolarHBondContact OD1-CE1 3.34Å; D239-H241 IonicContact OD1-CG 3.37Å; D239-H241 IonicContact OD1-ND1 3.48Å; D239-H241 PolarHBondContact OD1-ND1 3.39Å; D239-H241 IonicContact OD2-CE1 3.18Å; D239-H241 IonicContact OD2-ND1 2.73Å
242Y36.4Very low39.2Very low198 Ų198147 Ų14778%0.77675%0.754SS**  -165.7161.1127.6-117.7-130.3000111.5
243P43.6Very low38.5Very low98 Ų98149.1 Ų149.164%0.63676%0.76SS**  -145-129.4-110.941.5-16.5000113.2
244A39.9Very low37.9Very low93 Ų93150.3 Ų150.377%0.76975%0.754SS**  trans73.1131.2-17400000114.6
245D37Very low38Very low135 Ų135156.7 Ų156.772%0.72276%0.762SS**  cis-142.5125.42.8176.40.7000110.9
246P39.7Very low37.7Very low110 Ų110156.5 Ų156.571%0.71476%0.761SS**  trans-121.9117.3162.634.1-18.4000113.9
247R37.7Very low37.7Very low226 Ų226154.6 Ų154.685%0.85376%0.76SS**  trans121.457.6153.3-62.8172.966.5142.71.8118
248E34.8Very low38.1Very low135 Ų135156.6 Ų156.663%0.63176%0.761SS**  trans-106.2142.7142.3-80.1-88.8123.600108.7
249R43Very low38.3Very low186 Ų186153.3 Ų153.370%0.70275%0.753SS**  cis-153.7143-12.5173.6171.8-76.3-122.3-5.6109.5
250Y37.1Very low38.2Very low203 Ų203154 Ų15480%0.79676%0.76SS**  trans-18.4150.5164.3-59.5-107.6000117.9
251G38.6Very low38.3Very low63 Ų63157.6 Ų157.665%0.64976%0.763SS**  cis131.7172.85.300000112.4
252Y33.3Very low38.1Very low225 Ų225154 Ų15488%0.88277%0.765SS**  trans67.1146.8172.3-96.4-141.8000116
253Q38.1Very low38.3Very low171 Ų171150.3 Ų150.380%0.79977%0.765SS**  cis-130.7156.35.2-63.5-172.38.600112.6
254S30.4Very low37.9Very low115 Ų115152.3 Ų152.380%0.80477%0.771SS**  trans-76.7148159.7-50.10000111.1
255K39.7Very low37.8Very low204 Ų204154.6 Ų154.689%0.88777%0.77SS**  -156.4152.2123.2-139.1170.4-177.2177.20112.7
256E32.8Very low37.6Very low182 Ų182158.6 Ų158.685%0.8578%0.777SS**  trans-88.3125.9-178.7-61142140.700111.1
257F38.2Very low37.5Very low183 Ų183161.6 Ų161.680%0.80379%0.786SS**  trans-158110.6155.8-138.1-105.6000105.7
258M44.7Very low37.5Very low153 Ų153161.7 Ų161.775%0.75479%0.786SS**  46.411590.7-66.4-62.7170.500111.3
259D38.1Very low37.7Very low131 Ų131160.2 Ų160.270%0.70179%0.791SS**  -158.5136.170.8-117.4-52.8000116.4
260T40.4Very low37.2Very low116 Ų116159.9 Ų159.971%0.71279%0.79SS**  trans34.493.5130.6-50.10000120.7
261R40.3Very low37.2Very low234 Ų234159 Ų15988%0.88379%0.792SS**  170.4111.5121.3-174.4168-63.1-165.10.8111.5
262G35.7Very low37Very low72 Ų72160.9 Ų160.974%0.74280%0.796SS**  trans-79138.8-173.600000115.4
263P41.9Very low37Very low121 Ų121161.3 Ų161.379%0.78680%0.796SS**  trans-95.385.6174.135.5-31.9000112.5
264N34.3Very low36.9Very low140 Ų140159.4 Ų159.475%0.74979%0.791SS**  trans-95.9156.3164.4-83.6-17.5000111.4
265D37.2Very low37.1Very low142 Ų142164.1 Ų164.176%0.75979%0.792SS**  trans62.749152.4-53.2-30000120.5L267D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.25Å
266Y34Very low37Very low219 Ų219164.8 Ų164.886%0.85979%0.79SS**  trans-75.275.8161.8-83.5-70.5000113.5R268Y266-R268 VanDerWaalsContact C-N 3.29Å; Y266-R268 PolarHBondContact O-N 2.88Å
267L37.1Very low37.5Very low172 Ų172162.7 Ų162.790%0.90179%0.785SS**  trans-73.672.2166.7-83.2171.6000112.5D265D265-L267 VanDerWaalsContact C-N 3.29Å; D265-L267 PolarHBondContact O-N 3.25Å
268R37.5Very low37.5Very low229 Ų229161 Ų16186%0.86478%0.784SS**  trans-149.7129.1162.1-90.5-171175.8174.3-1.5110.1Y266Y266-R268 VanDerWaalsContact C-N 3.29Å; Y266-R268 PolarHBondContact O-N 2.88Å
269S38.4Very low37.3Very low104 Ų104164 Ų16473%0.72779%0.787SS**  cis-143.5131.4-1.9-67.70000110.3
270R33.5Very low37.3Very low179 Ų179163 Ų16368%0.67579%0.787SS**  trans-117.263172.4-167.8-180-177.4-113.24.2110.6D850R270-D850 IonicContact CZ-OD1 3.78Å; R270-D850 IonicContact CZ-OD2 2.61Å; R270-D850 IonicContact NH1-OD1 3.44Å; R270-D850 PolarHBondContact NH1-OD1 3.26Å; R270-D850 IonicContact NH1-OD2 3.4Å; R270-D850 PolarHBondContact NH1-OD2 3.17Å; R270-D850 VanDerWaalsContact NH2-CG 3.31Å; R270-D850 IonicContact NH2-OD1 3.35Å; R270-D850 PolarHBondContact NH2-OD1 3.46Å; R270-D850 IonicContact NH2-OD2 2.61Å
271Q36.5Very low36.8Very low183 Ų183167.3 Ų167.386%0.85579%0.79SS**  trans-167.7163.2168-111.8145.310600112
272S34.7Very low36.5Very low103 Ų103164.8 Ų164.872%0.7279%0.789SS**  trans65.2113.2-156.6-168.20000113.1
273R32.5Very low36.3Very low234 Ų234171.9 Ų171.988%0.88379%0.793SS**  cis60.576.9-1-161.2-170.4-143.4-171.77116
274D36Very low35.9Very low131 Ų131171.3 Ų171.370%0.70179%0.792SS**  trans-156.1150.8130.8-84.5-47.5000106.7
275R35.3Very low35.7Very low215 Ų215172.4 Ų172.481%0.81179%0.793SS**  cis127.376.44.4-173.7-170.1-159.21764.2109
276Y38.5Very low36.2Very low218 Ų218171.7 Ų171.786%0.85580%0.796SS**  trans-155.7138.7165-76.8-77.8000105.8
277D42.3Very low36.3Very low138 Ų138172.3 Ų172.374%0.73880%0.797SS**  cis-152.2167.6-11.4-148.8-110.8000110.1
278D37.7Very low36.4Very low148 Ų148174.9 Ų174.979%0.79179%0.794SS**  trans-86.9131.1-173.9-83-84.3000113.4
279R41Very low36.5Very low216 Ų216170.6 Ų170.682%0.81579%0.789SS**  trans-162.2115.8158-118.8160.2-178.9-98.1-4.4114.5
280P37.5Very low36.6Very low108 Ų108175.1 Ų175.170%0.70179%0.791SS**  trans-108.2104.7-175.636.3-28.6000113.8
281W31.4Very low37.1Very low207 Ų207176.3 Ų176.378%0.78480%0.796SS**  trans-140.793.5173.9-59.2103.2000113.8
282E33.8Very low37.7Very low182 Ų182177.5 Ų177.585%0.8579%0.794SS**  trans-1.7111.6139.1-179.6-176-114.700118.3
283R30.3Very low39Very low221 Ų221177 Ų17783%0.83479%0.788SS**  trans-167.7122.2140.2-166.5148.8-73.2-130.8-3.6114.9
284S34.5Very low41Very low109 Ų109171.5 Ų171.576%0.76277%0.772SS**  trans53.4135.3149.7-580000122.9
285E30.6Very low43.3Very low163 Ų163171.1 Ų171.176%0.76277%0.766SS**PPolyproline II helixtrans-67.2147.2174-56.4-167.4147.800115.2
286P46Very low45.9Very low127 Ų127161 Ų16183%0.82573%0.728SS**PPolyproline II helixtrans-73.9118.8143.6-7.926.3000109.5
287R37.3Very low48.1Very low232 Ų232156.8 Ų156.888%0.87572%0.715SS**PPolyproline II helixtrans-50.7151.5-173.1-58.7159.2103.498.8-7.6113.9
288R38.5Very low50.2Low226 Ų226154 Ų15485%0.85370%0.7SS**  trans-42.5137.9155.5-68.3171.3166.2-95.1-0.4111.1
289D39.5Very low52.6Low139 Ų139150.5 Ų150.574%0.74368%0.678SS**  trans-163.2150.7139.8-115.1-28.7000115.8
290Y40.9Very low54.8Low198 Ų198143.5 Ų143.578%0.77667%0.666SS**  trans41.384.9167.4-66.4-86.2000122.2
291R45.2Very low56.9Low204 Ų204144.8 Ų144.877%0.7766%0.661SS**  -147.5128.9120.7-163.4174.8-86.1-135.1-0.4108.6E866R291-E866 IonicContact CZ-OE2 3.05Å; R291-E866 IonicContact NH1-OE1 3.81Å; R291-E866 PolarHBondContact NH1-OE1 2.67Å; R291-E866 IonicContact NH1-OE2 2.74Å; R291-E866 PolarHBondContact NH1-OE2 2.84Å; R291-E866 IonicContact NH2-OE2 3.36Å; R291-E866 PolarHBondContact NH2-OE2 3.11Å
292Y48.4Very low59.4Low209 Ų209138.5 Ų138.582%0.8266%0.66SS**  trans-61.7139.2-175-107.3-106.4000111.4E294Y292-E294 PolarHBondContact O-N 3.32Å; Y292-E294 VanDerWaalsContact O-N 3.08Å
293P62Low62Low92 Ų92137.3 Ų137.360%0.59765%0.652SS**  trans-80.894-179.133.1-34.3000110.1Q295 A313P293-Q295 PolarHBondContact O-N 2.8Å; P293-A313 HydrophobicContact CB-CB 4.22Å
294E73.5Confident64.8Low119 Ų119128 Ų12856%0.55662%0.621SS**  trans-50.8139.8174.3-75.4-171-175.600111.7Y292 C296 F312 A313Y292-E294 PolarHBondContact O-N 3.32Å; Y292-E294 VanDerWaalsContact O-N 3.08Å; E294-C296 PolarHBondContact O-N 3.13Å; E294-F312 HydrophobicContact CB-CD1 4.13Å; E294-F312 HydrophobicContact CB-CE1 4.48Å; E294-F312 WeakPolarHBondContact O-CB 3.41Å; E294-A313 PolarHBondContact O-N 2.74Å
295Q84.7Confident67.2Low123 Ų123132 Ų13258%0.57563%0.63SS**BIsolated β-bridgetrans-61.8134.6175.7-64.6-177.810.300109.8P293 F297P293-Q295 PolarHBondContact O-N 2.8Å; Q295-F297 PolarHBondContact O-N 2.83Å
296C89.2Confident69.6Low2 Ų2129.8 Ų129.81%0.01461%0.614CS.*  trans-65.1105.5179.5-1790000110.2E294 N298 F299 A300 C304 F312 A313 H314E294-C296 PolarHBondContact O-N 3.13Å; C296-N298 PolarHBondContact O-N 3.14Å; C296-F299 HydrophobicContact CB-CB 3.69Å; C296-F299 WeakPolarHBondContact O-CA 3.22Å; C296-F299 WeakPolarHBondContact O-CB 3.39Å; C296-F299 PolarHBondContact O-N 2.97Å; C296-A300 PolarHBondContact O-N 3.02Å; C296-C304 VanDerWaalsContact SG-SG 3.66Å; C296-F312 HydrophobicContact CB-CB 3.6Å; C296-A313 PolarHBondContact N-O 2.84Å; C296-H314 VanDerWaalsContact CB-CD2 3.47Å; C296-H314 WeakPolarHBondContact CB-CD2 3.2Å
297F85Confident70.9Confident129 Ų129125.7 Ų125.757%0.56660%0.595SS**THydrogen-bonded Turntrans-54.6-18.1176.8-71.5-77.3000114.5Q295 K301Q295-F297 PolarHBondContact O-N 2.83Å; F297-K301 WeakPolarHBondContact O-CD 3.42Å; F297-K301 WeakPolarHBondContact O-CE 3.4Å; F297-K301 WeakPolarHBondContact O-CG 3.35Å
298N86.9Confident72.7Confident79 Ų79120 Ų12042%0.42260%0.598SS.*THydrogen-bonded Turntrans-87.9-30.7172.7-62-63.5000112.3C296 K301 G302 K303 C304C296-N298 PolarHBondContact O-N 3.14Å; N298-K301 CarbonylContact O-C 3.5Å; N298-K301 PolarHBondContact O-N 2.93Å; N298-G302 PolarHBondContact O-N 3.06Å; N298-K303 CarbonylContact O-C 3.57Å; N298-K303 WeakPolarHBondContact O-CA 3.47Å; N298-K303 PolarHBondContact O-N 3.15Å; N298-C304 HydrophobicContact CB-CB 4Å; N298-C304 PolarHBondContact O-N 3.36Å; N298-C304 VanDerWaalsContact O-N 3.16Å
299F88.8Confident74.7Confident75 Ų75114.2 Ų114.233%0.32959%0.592SS.*THydrogen-bonded Turntrans-70.8-48.4174.2-176.1-99.7000110.3C296 K301 G302 C304 H314 S315C296-F299 HydrophobicContact CB-CB 3.69Å; C296-F299 WeakPolarHBondContact O-CA 3.22Å; C296-F299 WeakPolarHBondContact O-CB 3.39Å; C296-F299 PolarHBondContact O-N 2.97Å; F299-K301 PolarHBondContact O-N 2.96Å; F299-G302 PolarHBondContact O-N 3.05Å; F299-C304 HydrophobicContact CB-CB 4.08Å; F299-H314 HydrophobicContact CD1-CB 4.15Å; F299-H314 HydrophobicContact CD2-CB 3.88Å; F299-H314 AromaticContact CD2-CD2 3.73Å; F299-H314 AromaticContact CD2-CE1 3.72Å; F299-H314 AromaticContact CD2-CG 3.41Å; F299-H314 VanDerWaalsContact CD2-CG 3.41Å; F299-H314 AromaticContact CD2-ND1 3.42Å; F299-H314 WeakPolarHBondContact CD2-ND1 3.23Å; F299-H314 AromaticContact CD2-NE2 3.9Å; F299-H314 HydrophobicContact CE1-CB 4.09Å; F299-H314 HydrophobicContact CE2-CB 3.82Å; F299-H314 AromaticContact CE2-CG 3.79Å; F299-H314 AromaticContact CE2-ND1 3.75Å; F299-H314 HydrophobicContact CG-CB 4.05Å; F299-H314 AromaticContact CG-CD2 3.64Å; F299-H314 AromaticContact CG-CG 3.69Å; F299-H314 HydrophobicContact CZ-CB 3.92Å; F299-S315 WeakPolarHBondContact CE1-O 3.29Å
300A86.2Confident77Confident70 Ų70108.6 Ų108.658%0.57956%0.563SS**THydrogen-bonded Turntrans-59.7-9.2172.100000114.4C296C296-A300 PolarHBondContact O-N 3.02Å
301K81.4Confident79.1Confident134 Ų134106 Ų10658%0.58356%0.562SS**THydrogen-bonded Turntrans-115.912.5175.6-65.8174.5-166.4159.70113.2F297 N298 F299 K303F297-K301 WeakPolarHBondContact O-CD 3.42Å; F297-K301 WeakPolarHBondContact O-CE 3.4Å; F297-K301 WeakPolarHBondContact O-CG 3.35Å; N298-K301 CarbonylContact O-C 3.5Å; N298-K301 PolarHBondContact O-N 2.93Å; F299-K301 PolarHBondContact O-N 2.96Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 HydrophobicContact CB-CD 4.48Å; K301-K303 WeakPolarHBondContact O-CD 3.37Å; K301-K303 VanDerWaalsContact O-CG 3.3Å; K301-K303 WeakPolarHBondContact O-CG 3.44Å; K301-K303 PolarHBondContact O-N 3.41Å
302G84.8Confident81Confident75 Ų75100 Ų10077%0.77354%0.541SS*.THydrogen-bonded Turntrans65.623.417800000115.2N298 F299N298-G302 PolarHBondContact O-N 3.06Å; F299-G302 PolarHBondContact O-N 3.05Å
303K87.3Confident82.6Confident158 Ų15891.6 Ų91.669%0.68752%0.515SS*.  trans-130.912.6-165.3-73.4163.7-170.2175.10114.2N298 K301 M305N298-K303 CarbonylContact O-C 3.57Å; N298-K303 WeakPolarHBondContact O-CA 3.47Å; N298-K303 PolarHBondContact O-N 3.15Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 HydrophobicContact CB-CD 4.48Å; K301-K303 WeakPolarHBondContact O-CD 3.37Å; K301-K303 VanDerWaalsContact O-CG 3.3Å; K301-K303 WeakPolarHBondContact O-CG 3.44Å; K301-K303 PolarHBondContact O-N 3.41Å; K303-M305 PolarHBondContact O-N 2.62Å; K303-M305 VanDerWaalsContact O-N 3.17Å
304C90.4Very high83.7Confident26 Ų2689.3 Ų89.318%0.17650%0.496CS..  trans-80.299-178.3-164.10000112.7C296 N298 F299 R306 H314C296-C304 VanDerWaalsContact SG-SG 3.66Å; N298-C304 HydrophobicContact CB-CB 4Å; N298-C304 PolarHBondContact O-N 3.36Å; N298-C304 VanDerWaalsContact O-N 3.16Å; F299-C304 HydrophobicContact CB-CB 4.08Å; C304-R306 PolarHBondContact O-N 2.61Å; C304-H314 VanDerWaalsContact SG-CE1 3.54Å; C304-H314 PolarHBondContact SG-NE2 3.4Å
305M84.1Confident83.4Confident191 Ų19186.3 Ų86.394%0.94149%0.488SS*.THydrogen-bonded Turntrans-72.91.8173.5-53.7-169.5-5400114.3K303K303-M305 PolarHBondContact O-N 2.62Å; K303-M305 VanDerWaalsContact O-N 3.17Å
306R81.4Confident81.9Confident118 Ų11886.8 Ų86.845%0.44550%0.495SS..THydrogen-bonded Turntrans-86.9-13.7-178.5-59.1178.6-177.9162.9-2.1113.6C304 A308 S309 C310C304-R306 PolarHBondContact O-N 2.61Å; R306-A308 PolarHBondContact O-N 2.94Å; R306-S309 PolarHBondContact O-N 3.28Å; R306-S309 PolarHBondContact O-OG 3.23Å; R306-C310 HydrophobicContact CB-CB 3.84Å
307G73.5Confident79.8Confident40 Ų4092.4 Ų92.441%0.41253%0.534SS..G310 helixtrans51.2-133.9-179.500000112.5S309 H314G307-S309 VanDerWaalsContact C-N 3.3Å; G307-S309 PolarHBondContact O-N 3.47Å; G307-H314 PolarHBondContact O-CE1 3.08Å; G307-H314 PolarHBondContact O-ND1 3.38Å
308A75.3Confident77.5Confident114 Ų11490.7 Ų90.794%0.94254%0.543SS*.G310 helixtrans-72.1-13.4178.300000114.9R306 C310R306-A308 PolarHBondContact O-N 2.94Å; A308-C310 VanDerWaalsContact C-N 3.26Å; A308-C310 PolarHBondContact O-N 3.1Å
309S80.8Confident75.4Confident103 Ų10392 Ų9272%0.7256%0.559SS**G310 helixtrans-91.223.1176.764.10000113.3R306 G307R306-S309 PolarHBondContact O-N 3.28Å; R306-S309 PolarHBondContact O-OG 3.23Å; G307-S309 VanDerWaalsContact C-N 3.3Å; G307-S309 PolarHBondContact O-N 3.47Å
310C87.3Confident72.8Confident21 Ų2197.9 Ų97.914%0.14259%0.587CS.*  trans-82125174.9-162.90000111.5R306 A308 F312 H314R306-C310 HydrophobicContact CB-CB 3.84Å; A308-C310 VanDerWaalsContact C-N 3.26Å; A308-C310 PolarHBondContact O-N 3.1Å; C310-F312 PolarHBondContact O-N 3.42Å; C310-F312 VanDerWaalsContact O-N 3.17Å; C310-H314 WeakPolarHBondContact CB-NE2 3.21Å; C310-H314 PolarHBondContact SG-NE2 2.97Å
311I85.3Confident70.4Confident145 Ų14597.7 Ų97.774%0.74459%0.592SS**SBendtrans-69.6-3.8175.567.5177.5000114.7
312F84.5Confident68.1Low76 Ų76102.1 Ų102.133%0.33361%0.605SS.*SBendtrans-116.7145.7-177.9-68.5-79.1000109.4E294 C296 C310 H314E294-F312 HydrophobicContact CB-CD1 4.13Å; E294-F312 HydrophobicContact CB-CE1 4.48Å; E294-F312 WeakPolarHBondContact O-CB 3.41Å; C296-F312 HydrophobicContact CB-CB 3.6Å; C310-F312 PolarHBondContact O-N 3.42Å; C310-F312 VanDerWaalsContact O-N 3.17Å; F312-H314 PolarHBondContact O-CD2 3.45Å; F312-H314 PolarHBondContact O-N 3.28Å; F312-H314 VanDerWaalsContact O-N 3.17Å
313A81.9Confident65.9Low33 Ų33111 Ų11127%0.27362%0.615SS.*BIsolated β-bridgetrans-58.4121.6-173.300000111.9P293 E294 C296P293-A313 HydrophobicContact CB-CB 4.22Å; E294-A313 PolarHBondContact O-N 2.74Å; C296-A313 PolarHBondContact N-O 2.84Å
314H85.2Confident63.5Low45 Ų45113.2 Ų113.221%0.20862%0.62CS.*  trans-91.196.2161.7-72.7-170000106.6C296 F299 C304 G307 C310 F312 N316C296-H314 VanDerWaalsContact CB-CD2 3.47Å; C296-H314 WeakPolarHBondContact CB-CD2 3.2Å; F299-H314 HydrophobicContact CD1-CB 4.15Å; F299-H314 HydrophobicContact CD2-CB 3.88Å; F299-H314 AromaticContact CD2-CD2 3.73Å; F299-H314 AromaticContact CD2-CE1 3.72Å; F299-H314 AromaticContact CD2-CG 3.41Å; F299-H314 VanDerWaalsContact CD2-CG 3.41Å; F299-H314 AromaticContact CD2-ND1 3.42Å; F299-H314 WeakPolarHBondContact CD2-ND1 3.23Å; F299-H314 AromaticContact CD2-NE2 3.9Å; F299-H314 HydrophobicContact CE1-CB 4.09Å; F299-H314 HydrophobicContact CE2-CB 3.82Å; F299-H314 AromaticContact CE2-CG 3.79Å; F299-H314 AromaticContact CE2-ND1 3.75Å; F299-H314 HydrophobicContact CG-CB 4.05Å; F299-H314 AromaticContact CG-CD2 3.64Å; F299-H314 AromaticContact CG-CG 3.69Å; F299-H314 HydrophobicContact CZ-CB 3.92Å; C304-H314 VanDerWaalsContact SG-CE1 3.54Å; C304-H314 PolarHBondContact SG-NE2 3.4Å; G307-H314 PolarHBondContact O-CE1 3.08Å; G307-H314 PolarHBondContact O-ND1 3.38Å; C310-H314 WeakPolarHBondContact CB-NE2 3.21Å; C310-H314 PolarHBondContact SG-NE2 2.97Å; F312-H314 PolarHBondContact O-CD2 3.45Å; F312-H314 PolarHBondContact O-N 3.28Å; F312-H314 VanDerWaalsContact O-N 3.17Å; H314-N316 PolarHBondContact O-N 2.8Å
315S68.4Low61Low56 Ų56118.5 Ų118.539%0.39265%0.646SS.*  trans-69.696.1178.752.50000109.6F299 S317F299-S315 WeakPolarHBondContact CE1-O 3.29Å; S315-S317 PolarHBondContact O-N 3.23Å
316N52.1Low58.8Low133 Ų133117.6 Ų117.671%0.71164%0.64SS**  trans-67.880.2175.8-74.7-7.9000110.5H314 A318H314-N316 PolarHBondContact O-N 2.8Å; N316-A318 PolarHBondContact O-N 3.01Å
317S45.9Very low57.2Low120 Ų120118.1 Ų118.184%0.83966%0.656SS**  trans-74.354.5173.559.20000111.3S315S315-S317 PolarHBondContact O-N 3.23Å
318A36.3Very low55.7Low92 Ų92126 Ų12676%0.7667%0.673SS**  trans-158.547.2-168.600000114.3N316N316-A318 PolarHBondContact O-N 3.01Å
319S43.3Very low53.5Low107 Ų107129.5 Ų129.575%0.74867%0.67SS**  trans-157.9115.2158.362.10000114.2
320H33.8Very low51.7Low198 Ų198128.9 Ų128.992%0.91767%0.666SS**  trans64.6121.4139.3-156.4-92.6000120.1
321G34.4Very low49.3Very low67 Ų67131.2 Ų131.269%0.69169%0.686SS**  trans146.240.8153.100000123.3
322R34.9Very low47Very low227 Ų227133 Ų13386%0.85769%0.691SS**  trans49.991.4150.9-168.2-174.9-171.9-108.58.5118.9
323W37.5Very low44.8Very low260 Ų260135.1 Ų135.199%0.98571%0.706SS**  trans-121.5161.3137-129.845.4000108.9
324R37.1Very low42.9Very low206 Ų206143 Ų14378%0.77773%0.729SS**  trans-65.4142.7-168.4-70.3-177-169.4-969.7111.7
325D37.3Very low40.5Very low136 Ų136151.3 Ų151.373%0.72777%0.765SS**  56.1121.572.8-133.8-0.4000109.7
326E38.5Very low38.8Very low173 Ų173152 Ų15281%0.80878%0.781SS**  cis-131.6174.830.3-64.8156.688.600114.7
327T48.5Very low38.4Very low128 Ų128151.9 Ų151.979%0.78579%0.787SS**SBendtrans87.970.5168-39.40000118.1
328R40.9Very low37.8Very low207 Ų207153.8 Ų153.878%0.78179%0.788SS**  52.1103.5114.3-167.3-176.8-169.6142.12.6115.8
329E30.3Very low38.2Very low186 Ų186155.2 Ų155.287%0.86979%0.792SS**  cis48.48338.6-165.5155.8-128.100114A331E329-A331 HydrophobicContact CG-CB 4.23Å
330S42.1Very low37.8Very low91 Ų91153.8 Ų153.864%0.63678%0.782SS**  trans-158.153.2168.2-173.50000107.9
331A36.2Very low37.8Very low69 Ų69155.4 Ų155.457%0.5778%0.782SS**  65107.674.600000111.5E329E329-A331 HydrophobicContact CG-CB 4.23Å
332H38.4Very low37.8Very low184 Ų184155.5 Ų155.585%0.85278%0.783SS**  trans40.3106.1156.5-57.8-81.9000119.4
333D37.3Very low38Very low120 Ų120152.1 Ų152.164%0.64278%0.782SS**  -158.5159.4117.5-130.2-28.2000116.6
334R42.1Very low37.8Very low198 Ų198152.2 Ų152.275%0.74778%0.782SS**  trans54.6101.5154.7-70.6154.3-134.1-170.810.2121.1
335F34.4Very low38.2Very low220 Ų220146.2 Ų146.297%0.96577%0.769SS**  11.1120.2120.8-71-103.1000118.4
336G32.7Very low38.5Very low71 Ų71145.5 Ų145.573%0.73276%0.761SS**  trans179.3131.5164.800000112.8
337P43.5Very low38.7Very low129 Ų129146 Ų14684%0.83876%0.763SS**  trans-113.592.3-172.338.2-28.3000114.8
338D33.9Very low38.8Very low161 Ų161147.5 Ų147.586%0.86175%0.754SS**  trans-167.7123.4149.3-119.1-25.9000111.9
339S44.2Very low39.5Very low122 Ų122147.2 Ų147.285%0.85375%0.753SS**  trans-179.7156.6150.7-169.30000110.1
340S36.2Very low40.8Very low76 Ų76143.4 Ų143.453%0.53174%0.742SS.*  trans-138.1153.4-176.7610000112.6
341Y34Very low41.5Very low232 Ų232142.5 Ų142.591%0.9173%0.73SS**  trans68.6158.4-179.5-49.3-81.4000115.6
342G33.6Very low43Very low70 Ų70147.8 Ų147.872%0.72274%0.741SS**  trans115.248.317200000118.5
343N39.3Very low45Very low156 Ų156143.8 Ų143.883%0.83473%0.725SS**  trans17674.3141.6-92.7-24.7000111.3T345N343-T345 PolarHBondContact OD1-O 3.48Å
344R34Very low47.3Very low261 Ų261141.7 Ų141.799%0.98572%0.718SS**SBendtrans-105.69164.9-133.1178.8-167.2-175.94.3112.9
345T44.7Very low49.6Very low80 Ų80132.4 Ų132.449%0.49168%0.683SS.*  trans-131.4144174.5-30000103.8N343N343-T345 PolarHBondContact OD1-O 3.48Å
346E42.9Very low52.1Low122 Ų122128.8 Ų128.857%0.5767%0.668SS**  cis-120.8132.611.3-56.5-159.6138.500113.4R348E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 HydrophobicContact CB-CB 4Å; E346-R348 HydrophobicContact CB-CG 4.12Å; E346-R348 HydrophobicContact CG-CG 4.31Å; E346-R348 WeakPolarHBondContact OE1-CD 3.3Å; E346-R348 IonicContact OE1-CZ 3.49Å; E346-R348 IonicContact OE1-NE 2.82Å; E346-R348 PolarHBondContact OE1-NE 3.03Å; E346-R348 IonicContact OE1-NH1 2.71Å; E346-R348 PolarHBondContact OE1-NH1 3.34Å
347H44.2Very low54.8Low184 Ų184130.4 Ų130.485%0.85266%0.655SS**  trans-98.526.5153.4-120.5-85.7000110.5R349H347-R349 PolarHBondContact O-N 3.38Å
348R50.3Low56.9Low159 Ų159127 Ų12760%0.663%0.626SS**  trans-68.774.2177.5-72.8-161.1177.8146-15.7111E346 V350E346-R348 VanDerWaalsContact C-N 3.28Å; E346-R348 HydrophobicContact CB-CB 4Å; E346-R348 HydrophobicContact CB-CG 4.12Å; E346-R348 HydrophobicContact CG-CG 4.31Å; E346-R348 WeakPolarHBondContact OE1-CD 3.3Å; E346-R348 IonicContact OE1-CZ 3.49Å; E346-R348 IonicContact OE1-NE 2.82Å; E346-R348 PolarHBondContact OE1-NE 3.03Å; E346-R348 IonicContact OE1-NH1 2.71Å; E346-R348 PolarHBondContact OE1-NH1 3.34Å; R348-V350 PolarHBondContact O-N 2.89Å
349R55.1Low59.4Low201 Ų201123.6 Ų123.676%0.75862%0.621SS**  trans-67.4114.4149-65.9-174.5177.4-150.6-6105.9H347 N351H347-R349 PolarHBondContact O-N 3.38Å; R349-N351 PolarHBondContact O-N 3.24Å
350V57.1Low61.2Low106 Ų106122.4 Ų122.464%0.64260%0.602SS**  trans-7084.2-175.3-175.70000109.4R348 K352R348-V350 PolarHBondContact O-N 2.89Å; V350-K352 HydrophobicContact CG1-CG 4.46Å; V350-K352 PolarHBondContact O-N 2.98Å; V350-K352 VanDerWaalsContact O-N 3.11Å
351N56.6Low63.6Low71 Ų71122.2 Ų122.238%0.3861%0.612SS.*  trans-66.1105.1166.8-67.1-27.6000106.9R349 N353 S370R349-N351 PolarHBondContact O-N 3.24Å; N351-N353 PolarHBondContact O-N 3.1Å; N351-S370 PolarHBondContact ND2-O 3.19Å
352K69.1Low66.1Low181 Ų181115.3 Ų115.379%0.78760%0.597SS**  trans-71.330.5-179-56.5-174.8-179.8-174.50113.2V350V350-K352 HydrophobicContact CG1-CG 4.46Å; V350-K352 PolarHBondContact O-N 2.98Å; V350-K352 VanDerWaalsContact O-N 3.11Å
353N80.7Confident68.8Low100 Ų100113 Ų11354%0.53557%0.569SS.*SBendtrans-117.2124.4-174.8-63.680.3000107.6N351 Y371 L372N351-N353 PolarHBondContact O-N 3.1Å; N353-Y371 HydrophobicContact CB-CD1 4.31Å; N353-L372 PolarHBondContact O-N 2.89Å; N353-L372 VanDerWaalsContact O-N 3.08Å
354P85.5Confident71Confident76 Ų76117.7 Ų117.749%0.49458%0.575SS.*BIsolated β-bridgetrans-63.5147.8177.326-33.7000110.8K356 L372P354-K356 PolarHBondContact O-N 2.98Å; P354-L372 CarbonylContact C-O 3.54Å; P354-L372 WeakPolarHBondContact CA-O 3.36Å
355C88.9Confident73.1Confident2 Ų2110.7 Ų110.71%0.01455%0.549CS..  trans-72.2108.4177.5-178.10000109.1F357 F358 A359 C369 L372C355-F357 PolarHBondContact O-N 3.37Å; C355-F358 HydrophobicContact CB-CB 3.67Å; C355-F358 WeakPolarHBondContact O-CA 3.45Å; C355-F358 WeakPolarHBondContact O-CB 3.34Å; C355-F358 PolarHBondContact O-N 3.19Å; C355-A359 PolarHBondContact O-N 3.34Å; C355-A359 VanDerWaalsContact O-N 3.12Å; C355-C369 PolarHBondContact SG-SG 3.44Å; C355-L372 WeakPolarHBondContact CB-O 3.11Å; C355-L372 PolarHBondContact N-O 3.34Å
356K88.4Confident74.7Confident145 Ų145108.6 Ų108.663%0.6354%0.543SS*.Hα-helixtrans-49.3-44.2174.7176.7166.8175.5169.40112P354 F358 A359 E360P354-K356 PolarHBondContact O-N 2.98Å; K356-F358 PolarHBondContact O-N 2.84Å; K356-A359 PolarHBondContact O-N 3.16Å; K356-E360 WeakPolarHBondContact CE-OE1 3.3Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.29Å
357F89.1Confident76.3Confident105 Ų105111.2 Ų111.246%0.46156%0.555SS.*Hα-helixtrans-68.3-17.1177.2-57.8-79.5000114.5C355 G361 C362 C363C355-F357 PolarHBondContact O-N 3.37Å; F357-G361 CarbonylContact O-C 3.1Å; F357-G361 PolarHBondContact O-N 3.4Å; F357-C362 CarbonylContact O-C 3.53Å; F357-C362 WeakPolarHBondContact O-CA 3.22Å; F357-C362 PolarHBondContact O-N 3.22Å; F357-C363 HydrophobicContact CB-CB 4.12Å; F357-C363 WeakPolarHBondContact O-CB 3.33Å; F357-C363 PolarHBondContact O-N 3.02Å
358F88.1Confident78Confident56 Ų56108.6 Ų108.625%0.24655%0.548CS..Hα-helixtrans-83.5-43.7174-179.9-103.5000110.4C355 K356 E360 G361 C363 H373 E375C355-F358 HydrophobicContact CB-CB 3.67Å; C355-F358 WeakPolarHBondContact O-CA 3.45Å; C355-F358 WeakPolarHBondContact O-CB 3.34Å; C355-F358 PolarHBondContact O-N 3.19Å; K356-F358 PolarHBondContact O-N 2.84Å; F358-E360 PolarHBondContact O-N 3.29Å; F358-G361 PolarHBondContact O-N 2.99Å; F358-C363 HydrophobicContact CB-CB 4.13Å; F358-H373 HydrophobicContact CD1-CB 3.89Å; F358-H373 HydrophobicContact CD2-CB 3.94Å; F358-H373 AromaticContact CD2-CD2 3.89Å; F358-H373 AromaticContact CD2-CE1 3.63Å; F358-H373 AromaticContact CD2-CG 3.46Å; F358-H373 VanDerWaalsContact CD2-CG 3.46Å; F358-H373 AromaticContact CD2-ND1 3.29Å; F358-H373 VanDerWaalsContact CD2-ND1 3.29Å; F358-H373 WeakPolarHBondContact CD2-ND1 3.34Å; F358-H373 AromaticContact CD2-NE2 4Å; F358-H373 HydrophobicContact CE1-CB 3.83Å; F358-H373 HydrophobicContact CE2-CB 3.88Å; F358-H373 AromaticContact CE2-CG 3.82Å; F358-H373 AromaticContact CE2-ND1 3.57Å; F358-H373 HydrophobicContact CG-CB 3.94Å; F358-H373 AromaticContact CG-CD2 3.73Å; F358-H373 AromaticContact CG-CG 3.61Å; F358-H373 AromaticContact CG-ND1 3.92Å; F358-H373 HydrophobicContact CZ-CB 3.83Å; F358-E375 HydrophobicContact CE1-CB 4.49Å; F358-E375 HydrophobicContact CZ-CB 4.21Å; F358-E375 HydrophobicContact CZ-CG 4Å; F358-E375 WeakPolarHBondContact CZ-OE1 3.5Å
359A85.4Confident79.7Confident91 Ų91101.9 Ų101.975%0.75253%0.525SS*.Hα-helixtrans-59.2-29.4169.300000112.6C355 K356C355-A359 PolarHBondContact O-N 3.34Å; C355-A359 VanDerWaalsContact O-N 3.12Å; K356-A359 PolarHBondContact O-N 3.16Å
360E82.2Confident81.2Confident97 Ų9796 Ų9645%0.45352%0.515SS..THydrogen-bonded Turntrans-89.78.2173.3-65.1169.2156.300113.9K356 F358 C362K356-E360 WeakPolarHBondContact CE-OE1 3.3Å; K356-E360 HydrophobicContact CG-CG 4.45Å; K356-E360 IonicContact NZ-OE1 3.43Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 VanDerWaalsContact O-CG 3.28Å; K356-E360 WeakPolarHBondContact O-CG 3.47Å; K356-E360 PolarHBondContact O-N 3.29Å; F358-E360 PolarHBondContact O-N 3.29Å; E360-C362 PolarHBondContact O-N 3.17Å; E360-C362 PolarHBondContact O-SG 3.48Å
361G85.6Confident82.5Confident72 Ų7296.2 Ų96.274%0.74251%0.505SS*.THydrogen-bonded Turntrans65.1-6.5-178.500000116.4F357 F358 C363F357-G361 CarbonylContact O-C 3.1Å; F357-G361 PolarHBondContact O-N 3.4Å; F358-G361 PolarHBondContact O-N 2.99Å; G361-C363 PolarHBondContact O-N 3.35Å
362C86.9Confident83.8Confident86 Ų8696.5 Ų96.558%0.58151%0.506SS*.  trans-89.211.8-171.3-69.60000115.4F357 E360 R364F357-C362 CarbonylContact O-C 3.53Å; F357-C362 WeakPolarHBondContact O-CA 3.22Å; F357-C362 PolarHBondContact O-N 3.22Å; E360-C362 PolarHBondContact O-N 3.17Å; E360-C362 PolarHBondContact O-SG 3.48Å; C362-R364 PolarHBondContact O-N 2.86Å
363C90.5Very high84.7Confident22 Ų2290.5 Ų90.515%0.14948%0.481CS..  trans-77.782-168.8-1640000114.4F357 F358 G361 R365 G366 H373F357-C363 HydrophobicContact CB-CB 4.12Å; F357-C363 WeakPolarHBondContact O-CB 3.33Å; F357-C363 PolarHBondContact O-N 3.02Å; F358-C363 HydrophobicContact CB-CB 4.13Å; G361-C363 PolarHBondContact O-N 3.35Å; C363-R365 PolarHBondContact O-N 3.32Å; C363-G366 PolarHBondContact O-N 2.99Å; C363-H373 PolarHBondContact SG-NE2 3.35Å
364R85.8Confident84.2Confident254 Ų25492.7 Ų92.796%0.95849%0.488SS*.THydrogen-bonded Turntrans-60.811.1172.8-60.2-178.3-177.9-106.6-1.1116C362C362-R364 PolarHBondContact O-N 2.86Å
365R78.2Confident83.1Confident114 Ų11496.3 Ų96.343%0.4350%0.498SS..THydrogen-bonded Turntrans-105.8-18.1178.5-74.2179.6-75.5-147-7.6114C363 N368 C369C363-R365 PolarHBondContact O-N 3.32Å; R365-N368 WeakPolarHBondContact O-CB 3.23Å; R365-N368 PolarHBondContact O-N 2.91Å; R365-N368 VanDerWaalsContact O-N 3.11Å; R365-C369 HydrophobicContact CB-CB 3.94Å
366G79.1Confident81.1Confident36 Ų3699.6 Ų99.637%0.37153%0.525SS..G310 helixtrans50.3-140.7-178.400000112.6C363 N368 C369 H373C363-G366 PolarHBondContact O-N 2.99Å; G366-N368 PolarHBondContact O-N 3.15Å; G366-N368 VanDerWaalsContact O-N 3.09Å; G366-C369 VanDerWaalsContact O-CB 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.47Å; G366-C369 PolarHBondContact O-N 2.88Å; G366-H373 PolarHBondContact O-CE1 3.48Å
367E75.6Confident79.1Confident177 Ų17798.8 Ų98.883%0.82754%0.535SS*.G310 helixtrans-56.4-23.1176.9-57.7177.2165.600114.4C369E367-C369 PolarHBondContact O-N 2.79Å
368N80.5Confident76.8Confident129 Ų129102.4 Ų102.469%0.6955%0.553SS**G310 helixtrans-84.111.6177.5-68.5-51.9000113R365 G366R365-N368 WeakPolarHBondContact O-CB 3.23Å; R365-N368 PolarHBondContact O-N 2.91Å; R365-N368 VanDerWaalsContact O-N 3.11Å; G366-N368 PolarHBondContact O-N 3.15Å; G366-N368 VanDerWaalsContact O-N 3.09Å
369C86.1Confident74.6Confident19 Ų19103.9 Ų103.913%0.12857%0.57CS.*  trans-70.4138.5174.4-1610000111.8C355 R365 G366 E367 Y371 H373C355-C369 PolarHBondContact SG-SG 3.44Å; R365-C369 HydrophobicContact CB-CB 3.94Å; G366-C369 VanDerWaalsContact O-CB 3.29Å; G366-C369 WeakPolarHBondContact O-CB 3.47Å; G366-C369 PolarHBondContact O-N 2.88Å; E367-C369 PolarHBondContact O-N 2.79Å; C369-Y371 PolarHBondContact O-N 3.21Å; C369-H373 WeakPolarHBondContact CB-NE2 3.18Å
370S86.2Confident72.3Confident78 Ų78109.3 Ų109.355%0.54558%0.58SS.*SBendtrans-87.319.4177.9-41.70000113.4N351N351-S370 PolarHBondContact ND2-O 3.19Å
371Y83.6Confident70.3Confident110 Ų110111.3 Ų111.343%0.43159%0.593SS.*SBendtrans-140.9148.6-178.4-65.7-87.9000107.6N353 C369 H373N353-Y371 HydrophobicContact CB-CD1 4.31Å; C369-Y371 PolarHBondContact O-N 3.21Å; Y371-H373 PolarHBondContact O-N 3.02Å
372L83.8Confident67.9Low76 Ų76111.5 Ų111.540%0.39859%0.594SS.*BIsolated β-bridgetrans-63.9136.1-175.4-71.5171.3000111.6N353 P354 C355N353-L372 PolarHBondContact O-N 2.89Å; N353-L372 VanDerWaalsContact O-N 3.08Å; P354-L372 CarbonylContact C-O 3.54Å; P354-L372 WeakPolarHBondContact CA-O 3.36Å; C355-L372 WeakPolarHBondContact CB-O 3.11Å; C355-L372 PolarHBondContact N-O 3.34Å
373H87.3Confident65.6Low56 Ų56114.2 Ų114.226%0.25961%0.608SS.*  trans-95.999.3163.5-72.3-166000105.7F358 C363 G366 C369 Y371 E375F358-H373 HydrophobicContact CD1-CB 3.89Å; F358-H373 HydrophobicContact CD2-CB 3.94Å; F358-H373 AromaticContact CD2-CD2 3.89Å; F358-H373 AromaticContact CD2-CE1 3.63Å; F358-H373 AromaticContact CD2-CG 3.46Å; F358-H373 VanDerWaalsContact CD2-CG 3.46Å; F358-H373 AromaticContact CD2-ND1 3.29Å; F358-H373 VanDerWaalsContact CD2-ND1 3.29Å; F358-H373 WeakPolarHBondContact CD2-ND1 3.34Å; F358-H373 AromaticContact CD2-NE2 4Å; F358-H373 HydrophobicContact CE1-CB 3.83Å; F358-H373 HydrophobicContact CE2-CB 3.88Å; F358-H373 AromaticContact CE2-CG 3.82Å; F358-H373 AromaticContact CE2-ND1 3.57Å; F358-H373 HydrophobicContact CG-CB 3.94Å; F358-H373 AromaticContact CG-CD2 3.73Å; F358-H373 AromaticContact CG-CG 3.61Å; F358-H373 AromaticContact CG-ND1 3.92Å; F358-H373 HydrophobicContact CZ-CB 3.83Å; C363-H373 PolarHBondContact SG-NE2 3.35Å; G366-H373 PolarHBondContact O-CE1 3.48Å; C369-H373 WeakPolarHBondContact CB-NE2 3.18Å; Y371-H373 PolarHBondContact O-N 3.02Å; H373-E375 VanDerWaalsContact C-N 3.34Å; H373-E375 PolarHBondContact O-N 2.98Å
374E72Confident63.1Low146 Ų146118.8 Ų118.868%0.68264%0.64SS**  trans-89.781.7-178.6-165.7155.5-146.200107.8A376E374-A376 PolarHBondContact O-N 3.06Å
375E61.5Low60.8Low151 Ų151110.8 Ų110.871%0.70663%0.628SS**  trans-76.3107.3-176.5-147.5142.8-130.700108F358 H373F358-E375 HydrophobicContact CE1-CB 4.49Å; F358-E375 HydrophobicContact CZ-CB 4.21Å; F358-E375 HydrophobicContact CZ-CG 4Å; F358-E375 WeakPolarHBondContact CZ-OE1 3.5Å; H373-E375 VanDerWaalsContact C-N 3.34Å; H373-E375 PolarHBondContact O-N 2.98Å
376A46.6Very low59.2Low71 Ų71111.1 Ų111.159%0.58765%0.645SS**  trans-58.2124.8-175.200000109.9E374 H378E374-A376 PolarHBondContact O-N 3.06Å; A376-H378 PolarHBondContact O-N 3.29Å; A376-H378 PolarHBondContact O-ND1 3.44Å; A376-H378 VanDerWaalsContact O-ND1 3.11Å
377P47.6Very low57.2Low129 Ų129116.7 Ų116.784%0.83867%0.666SS**  trans-64.9106-17125.2-34000109.6S379P377-S379 PolarHBondContact O-N 2.89Å; P377-S379 VanDerWaalsContact O-N 3.14Å
378H40.7Very low55.5Low180 Ų180117 Ų11783%0.83367%0.668SS**  trans-62.5118.8175.1-83.651.8000108.4A376 Q380A376-H378 PolarHBondContact O-N 3.29Å; A376-H378 PolarHBondContact O-ND1 3.44Å; A376-H378 VanDerWaalsContact O-ND1 3.11Å; H378-Q380 PolarHBondContact O-N 2.96Å
379S41.7Very low53.3Low88 Ų88114.3 Ų114.362%0.61566%0.663SS**  trans-56.2128.3-175.150.20000111P377 I381P377-S379 PolarHBondContact O-N 2.89Å; P377-S379 VanDerWaalsContact O-N 3.14Å; S379-I381 VanDerWaalsContact C-N 3.31Å; S379-I381 PolarHBondContact O-N 3.07Å
380Q37.2Very low51.2Low204 Ų204122 Ų12295%0.95370%0.702SS**  trans-67.191.6169.8-66-178.64.400109.2H378H378-Q380 PolarHBondContact O-N 2.96Å
381I39.9Very low48.9Very low140 Ų140124.9 Ų124.972%0.71871%0.712SS**  trans-113.7125.1170.6-67.9175.9000106S379 V383S379-I381 VanDerWaalsContact C-N 3.31Å; S379-I381 PolarHBondContact O-N 3.07Å; I381-V383 PolarHBondContact O-N 2.94Å
382G35.9Very low46.7Very low75 Ų75131.2 Ų131.277%0.77374%0.736SS**  trans-67.1129-160.700000114S384G382-S384 PolarHBondContact O-N 2.79Å
383V36.9Very low44.6Very low143 Ų143132.2 Ų132.287%0.86775%0.75SS**  trans-83.5101.4165.5179.60000108.5I381I381-V383 PolarHBondContact O-N 2.94Å
384S37.6Very low42.4Very low118 Ų118137.5 Ų137.583%0.82578%0.78SS**  trans-92.2130.2155.2-66.50000108G382G382-S384 PolarHBondContact O-N 2.79Å
385A38.7Very low40.8Very low86 Ų86134.1 Ų134.171%0.71178%0.784SS**  trans-70.2165.9178.900000111.7
386P43.7Very low39.7Very low122 Ų122136.7 Ų136.779%0.79280%0.796SS**  -132.5173.47939.6-29.9000115.4
387D37.9Very low39.3Very low152 Ų152137.7 Ų137.781%0.81380%0.804SS**  trans-49.1144.9168.1-76.6-72.3000114.7
388E39.1Very low39Very low185 Ų185136.1 Ų136.186%0.86480%0.802SS**  -164.2147.6116.3-109.1-72.870.200110.3
389A35.8Very low38.7Very low71 Ų71139.6 Ų139.659%0.58781%0.808SS**  trans-115.3123.9-165.800000114.4
390L40.9Very low38.4Very low180 Ų180138.8 Ų138.894%0.94281%0.814SS**  trans-129.8111.7165.8-72.2178000111.8
391N38.5Very low38.5Very low140 Ų140135.6 Ų135.675%0.74980%0.803SS**  trans-75.7146171.5-65.3-82.7000111
392Y37.5Very low38Very low242 Ų242138.4 Ų138.495%0.94981%0.806SS**  trans-152.7147.5137.7-114.4-78000110.1
393S39.8Very low38.3Very low97 Ų97140.5 Ų140.568%0.67881%0.809SS**  trans-114.4160.1-148.2-47.60000116.3
394D41Very low38.3Very low168 Ų168139.3 Ų139.390%0.89880%0.797SS**  trans36.6139.8147.6-91.4-51.5000122.7
395G38.4Very low38Very low75 Ų75146.3 Ų146.377%0.77381%0.806SS**  trans-176.326.3176.400000120A397G395-A397 PolarHBondContact O-N 2.91Å; G395-A397 VanDerWaalsContact O-N 3.16Å
396H38.2Very low38.1Very low204 Ų204144.8 Ų144.894%0.94480%0.799SS**  trans-78.294-178-100.1-50000114.4
397A38.7Very low38.1Very low92 Ų92147 Ų14776%0.7680%0.799SS**  trans-156.1108.8162.600000117.1G395G395-A397 PolarHBondContact O-N 2.91Å; G395-A397 VanDerWaalsContact O-N 3.16Å
398A42Very low38.2Very low96 Ų96148.6 Ų148.679%0.79380%0.801SS**  trans46.9133.313900000124
399R34.3Very low38.3Very low253 Ų253146.9 Ų146.996%0.95580%0.798SS**  trans71.293.1157-66.5175.8169-112.72.1118.2
400G34Very low38.4Very low72 Ų72151.8 Ų151.874%0.74281%0.814SS**  trans-156.5138.4159.100000112.1
401N39.4Very low38.5Very low137 Ų137147.3 Ų147.373%0.73380%0.803SS**  trans17.9115.8157.7-70.70.9000120.6
402Y30.7Very low38.7Very low199 Ų199147.9 Ų147.978%0.7881%0.812SS**  trans-43.5156.6132.532.6-96.8000112.3
403S41.3Very low38.7Very low118 Ų118144.8 Ų144.883%0.82581%0.805SS**  trans85.582.5-177-51.90000116.3
404N36.1Very low38.5Very low118 Ų118144.2 Ų144.263%0.63181%0.807SS**  -130.5101.7123.5-166.8-36.1000108.8E407N404-E407 PolarHBondContact ND2-OE2 2.61Å
405W31.8Very low38.4Very low265 Ų265143.2 Ų143.2100%1.00481%0.807SS**SBendtrans-159.378.4164.4-108.389.7000105.3
406G42.4Very low38.3Very low54 Ų54144.5 Ų144.556%0.55780%0.804SS**  trans140.284.3174.400000115.5
407E42Very low38.3Very low169 Ų169142.9 Ų142.979%0.7980%0.797SS**  trans-116.156.7162.8-74-180113.600110.3N404N404-E407 PolarHBondContact ND2-OE2 2.61Å
408Q41.6Very low38.1Very low185 Ų185144.9 Ų144.986%0.86479%0.793SS**  trans-148.162.7163.1-70.4-163.531.300109.8
409N39.8Very low37.8Very low149 Ų149148 Ų14880%0.79780%0.796SS**  trans-149.199.7171-83.1-65.3000109.6
410N38.9Very low37.8Very low175 Ų175140.4 Ų140.494%0.93678%0.782SS**  trans-78.3139.2165.6-83.4-21.6000109.6
411A41.5Very low38Very low86 Ų86146.8 Ų146.871%0.71178%0.783SS**  trans-93.7150.8-164.600000113.7
412V43.1Very low38Very low152 Ų152146 Ų14692%0.92178%0.779SS**  trans-121.5113.7151.2-177.70000106.5
413H38.5Very low38.4Very low176 Ų176142.2 Ų142.282%0.81577%0.772SS**  trans-112.4115.6-177.7-131.7-79.8000110.4
414A35.2Very low38.3Very low86 Ų86145.2 Ų145.271%0.71177%0.765SS**  trans13.1104.2164.400000118.9
415T39.6Very low38.3Very low146 Ų146146.8 Ų146.890%0.89677%0.769SS**  trans-108.7157.213346.60000109.2
416S34.9Very low38.5Very low103 Ų103139.5 Ų139.572%0.7276%0.759SS**  trans-104.2166.6-167.5-59.70000112.6
417Q38.5Very low38.4Very low170 Ų170142.3 Ų142.379%0.79477%0.767SS**  trans88.7144.5159.8-48.2-177.435.200118.3
418I35.4Very low38.1Very low133 Ų133141.4 Ų141.468%0.68277%0.766SS**  trans70.7103.1150.4-67.8155.3000117.8
419L34.7Very low37.8Very low162 Ų162137 Ų13785%0.84876%0.756SS**  trans55.5159.7136-54.7179.8000119.7
420S34.5Very low37.8Very low94 Ų94138.6 Ų138.666%0.65776%0.758SS**  cis175.9162.1-26.7-175.10000105.6
421R37.9Very low37.6Very low205 Ų205134.6 Ų134.677%0.77474%0.744SS**  trans76.8129.6169.9-42.4-154.274134.88.9113.9
422D39.8Very low37.5Very low120 Ų120138.4 Ų138.464%0.64275%0.751SS**  71.8134.982-45.1-18.7000109.8
423D39.5Very low37Very low121 Ų121134.1 Ų134.165%0.64774%0.738SS**  cis-169.4175.23.9-157.8-10.9000109.7
424R38.2Very low37.1Very low180 Ų180137.6 Ų137.668%0.67974%0.743SS**  trans65.2160157.7-51-72.3153.4155.9-1.3118.2
425E36.5Very low37Very low152 Ų152140.6 Ų140.671%0.7175%0.748SS**  cis-157.6157.1-22.6-116157.5-17800109.9
426S36.7Very low36.9Very low112 Ų112141.6 Ų141.678%0.78375%0.747SS**  trans-110.9162.3164.2-55.40000108.4
427P39.9Very low37Very low113 Ų113141.9 Ų141.973%0.73475%0.75SS**  -166.4173.190.744.9-23.9000120.1
428I35.8Very low36.9Very low149 Ų149144.3 Ų144.376%0.76475%0.751SS**  trans73.5113.3133.2-78.7167.5000124.1
429S35.9Very low36.9Very low93 Ų93143.4 Ų143.465%0.6575%0.748SS**  53.5129.1126.9-47.20000125.4
430Q38.4Very low36.9Very low182 Ų182142.7 Ų142.785%0.8575%0.745SS**  -178.8123.1118.3-96.8155.3101.600109
431S34.2Very low36.9Very low92 Ų92149.3 Ų149.364%0.64376%0.757SS**  97.3158.36884.10000112.1
432I40.3Very low36.9Very low166 Ų166147.1 Ų147.185%0.85176%0.756SS**  trans69132.5-173.3-44.5163.5000113.4
433G31.7Very low36.6Very low62 Ų62147.1 Ų147.164%0.63976%0.756SS**  cis129.894.7-6.500000113.4
434R41.6Very low36.6Very low248 Ų248148.6 Ų148.694%0.93676%0.759SS**  trans-165135.5161.5-107.3155.1-159-171.74.1111.5
435N32.4Very low36.6Very low150 Ų150148.7 Ų148.780%0.80277%0.767SS**  trans-81.7154.1156.7-53.5-46.9000107.8
436D38Very low36.8Very low166 Ų166146.8 Ų146.889%0.88877%0.77SS**  -165.9168.2121.1-107.9-39.5000111.7
437S37.5Very low37.1Very low110 Ų110150 Ų15077%0.76977%0.77SS**  trans-111.2177.4-173.7-62.10000113
438R36.1Very low37Very low220 Ų220151.4 Ų151.483%0.8377%0.772SS**  trans98.8156.7139.1-150.5-162.2164.7138.92.3117.8
439N35.6Very low37.2Very low114 Ų114149 Ų14961%0.6177%0.774SS**  trans79.484.8167.5-56.7-26.4000116.6
440D33.4Very low37.4Very low148 Ų148147.5 Ų147.579%0.79177%0.773SS**  20.6140.6113.7-52.6-99.5000119.5
441Y36Very low37.6Very low232 Ų232148.6 Ų148.691%0.9178%0.775SS**  trans-131.5129.6158.7-110.6-94.4000110.6
442E37.2Very low37.9Very low159 Ų159149.2 Ų149.274%0.74378%0.779SS**  trans-70.5140.3177.8-74.9-169.368.700111.7
443N33.3Very low37.8Very low121 Ų121148.2 Ų148.265%0.64777%0.771SS**  68.610559167.350.6000113.7
444Q39.2Very low38Very low152 Ų152156.1 Ų156.171%0.7178%0.783SS**  trans-165.1168.3146.4-134.295.110600113.3
445H39.1Very low38Very low181 Ų181152.3 Ų152.384%0.83878%0.776SS**  trans78.884.2171.3-69.4-69.5000120.1
446S40.3Very low38Very low112 Ų112152.6 Ų152.678%0.78378%0.776SS**  trans-70.4162.4165.3-17.90000114.3
447K42.2Very low38Very low180 Ų180152.8 Ų152.878%0.78378%0.775SS**  -176.7141.5109.5-98.8174.5-176.4-1780114.3
448D39Very low37.8Very low143 Ų143154.5 Ų154.577%0.76577%0.77SS**  trans52.1138.3143-50.2-30.7000121.8
449A40.3Very low37.9Very low98 Ų98150.3 Ų150.381%0.8176%0.76SS**  cis-168153.5-14.100000112.4
450G38.8Very low37.8Very low61 Ų61152 Ų15263%0.62976%0.764SS**  trans111.2114133.800000121.2
451K43.4Very low38.2Very low205 Ų205151.8 Ų151.889%0.89176%0.764SS**  trans75.5141.9146.4-52.1137.5-176.9175.40117.8
452S40.1Very low38.1Very low105 Ų105150.5 Ų150.573%0.73476%0.763SS**  cis-160.1141.2-17.245.30000111.7
453Q37.9Very low38Very low145 Ų145146.5 Ų146.568%0.67877%0.765SS**  trans-68.3144.6172.7158.9-167.4-9.700112.8
454Y37.6Very low38.1Very low228 Ų228146.6 Ų146.689%0.89478%0.775SS**  trans-147.5161.3143.3-84.9-61.6000111.5
455Q40.3Very low38.2Very low168 Ų168145.6 Ų145.679%0.78578%0.782SS**  trans-110.7168.8-167.8-75.3167.9-37.600113.1
456I33.3Very low38.1Very low156 Ų156140.2 Ų140.280%0.878%0.775SS**  trans-80.2144.6179.7-60.7155000110.4
457I38.3Very low38.1Very low170 Ų170144.4 Ų144.487%0.87278%0.782SS**  trans-168.9169.8139-99.8154.1000111.2
458H33.1Very low37.7Very low146 Ų146146.1 Ų146.168%0.67679%0.79SS**  trans-77.2157.9-151.9-98-142000120.5
459Q36.7Very low37.6Very low132 Ų132148.2 Ų148.262%0.61779%0.792SS**  trans69.7142.3137.4-70.8178.1-90.600123.5
460E33.4Very low37.6Very low149 Ų149150 Ų15070%0.69678%0.783SS**  trans34139.6139.9-66.7129-132.100120.4
461D42.9Very low37.5Very low145 Ų145154.3 Ų154.378%0.77579%0.787SS**  cis-152.6179.324.4-141.4-30.9000113.9
462F33Very low37.3Very low204 Ų204151.4 Ų151.490%0.89578%0.781SS**  trans-80.2126.8178.8-74.7-102.4000113.2
463G35.1Very low37.3Very low76 Ų76149.5 Ų149.578%0.78477%0.772SS**  trans177.5122.3168.500000116.1
464S35.4Very low37.2Very low123 Ų123150.6 Ų150.686%0.8678%0.781SS**  trans-132.8166.8164.1-71.30000107.6
465P41.5Very low37.2Very low131 Ų131143.8 Ų143.885%0.85177%0.766SS**  cis-129.7-164.34.242.7-26.6000112.9
466G37.8Very low37.2Very low67 Ų67144.6 Ų144.669%0.69177%0.77SS**  trans120.193.114500000118
467Q39.5Very low37.3Very low201 Ų201145.7 Ų145.794%0.93977%0.772SS**  trans25.2118.8145.2-57.6178.3-83.300119.8
468K33.7Very low37.3Very low216 Ų216141.7 Ų141.794%0.93976%0.757SS**  trans-123.1148.2145.3-76.4-168.5174.9-173.70109.9
469K37.8Very low37.5Very low187 Ų187142 Ų14281%0.81376%0.759SS**  trans-132.7126.9174.7-169.9-159.3175.6-166.70109.4
470H39.2Very low37.1Very low134 Ų134142.9 Ų142.962%0.6277%0.767SS**  trans66.5145.6160.8-97.5-134.5000120.4
471E37.7Very low37.2Very low152 Ų152143.8 Ų143.871%0.7178%0.776SS**  trans52.8141.1141.1-69.8159.6159.700121.2
472D39.9Very low36.9Very low144 Ų144142.9 Ų142.977%0.7778%0.775SS**  cis-160.5171-30.4-140.2-41.3000109.9
473A38.3Very low37.3Very low66 Ų66138.1 Ų138.155%0.54577%0.765SS.*  trans45.1125.4149.300000121.8
474I36.9Very low37.2Very low168 Ų168140.1 Ų140.186%0.86276%0.762SS**  trans72.5141.7139.5-64.7168.5000116.6
475S37Very low37.2Very low85 Ų85142.1 Ų142.159%0.59476%0.758SS**  cis-169.3162.6-20.9-177.70000109.2
476Q40.5Very low36.7Very low184 Ų184140.7 Ų140.786%0.8675%0.746SS**  trans63.7116.2159-77.9159.727.500121.2
477Q34.7Very low36.5Very low179 Ų179143.9 Ų143.984%0.83675%0.753SS**  trans-53.6178146.4-105.9-1662.900113.5
478P39.4Very low36.3Very low87 Ų87138 Ų13857%0.56574%0.738SS**  cis-137.5-167.7-16.925.9-1.1000113.8
479Q36.8Very low36.6Very low151 Ų151135.4 Ų135.471%0.70673%0.734SS**  trans101117.7149.2-55-56-2.400121.6
480L28.5Very low36.6Very low151 Ų151131.1 Ų131.179%0.79173%0.728SS**  trans73.9162.5134.6-66171.2000121.2
481L35.6Very low36.9Very low168 Ų168132.3 Ų132.388%0.8874%0.735SS**  trans79.8108169.5-64.8158.3000117.9
482T36.5Very low37Very low126 Ų126132.5 Ų132.577%0.77374%0.736SS**  trans-77.1-173152.563.10000108.8
483P42.3Very low37Very low105 Ų105131.2 Ų131.268%0.68273%0.729SS**  cis-140.7-173.5-0.741.1-21.3000115.9
484V31.8Very low37.5Very low117 Ų117134.2 Ų134.271%0.70973%0.732SS**  trans80.1149.3137.398.30000122.1
485Q35.3Very low37.9Very low166 Ų166133.3 Ų133.378%0.77672%0.722SS**  trans72.1153.7161.8-70.6-177.294.300119.1
486T31.3Very low38.1Very low100 Ų100134.7 Ų134.761%0.61373%0.726SS**  cis-172.7156.7-27.3-95.70000109.3
487T34.3Very low38.5Very low135 Ų135130 Ų13083%0.82871%0.713SS**  trans62.5166.5167.445.50000118.8
488A35.8Very low38.9Very low76 Ų76128.8 Ų128.863%0.62871%0.708SS**  cis-177.9-167.8-38.300000109.5
489L39.9Very low39.6Very low162 Ų162132.5 Ų132.585%0.84872%0.72SS**  trans82.3118.1170.1-46.8179.8000114.4
490S36.2Very low39.8Very low98 Ų98131.5 Ų131.569%0.68572%0.719SS**  91.6142.366.3-152.60000110.4
491M46Very low40.5Very low158 Ų158128.6 Ų128.678%0.77871%0.712SS**  cis-153.5155.339.8-66.7167.664.900114
492H40.7Very low40.8Very low156 Ų156128 Ų12872%0.72271%0.705SS**  trans33.4148.6142.8-68.4-84.3000122
493N38.8Very low40.8Very low118 Ų118129.4 Ų129.463%0.63171%0.707SS**  cis-161173.214.3-130.617.4000108.8
494E48.5Very low40.4Very low128 Ų128128.8 Ų128.860%0.59871%0.711SS**  cis-156.7-150-7.5-143.3-176.7147.100105.9
495K46.8Very low41.4Very low150 Ų150128.5 Ų128.565%0.65271%0.712SS**  cis-163.7152.83.1-144.9153.8176.574.80110.8
496V40.4Very low41.6Very low114 Ų114125.9 Ų125.969%0.69171%0.712SS**  trans36128.6141.6163.10000119.5
497S48.8Very low42.1Very low84 Ų84125.7 Ų125.759%0.58771%0.714SS**  cis-177.3167.95.5-95.30000109.5
498E43.1Very low42.5Very low155 Ų155127 Ų12772%0.72471%0.714SS**  cis-166179-24.7-135.368.281.900110.1
499M53.8Low42.7Very low165 Ų165127 Ų12781%0.81372%0.721SS**  trans76.4117.6167.2100.1104.9-179.400117.1
500D40.9Very low42.6Very low129 Ų129122.6 Ų122.669%0.6972%0.715SS**  93.2141.158-105.1-62.2000113.2
501S42.9Very low42.7Very low91 Ų91126.5 Ų126.564%0.63673%0.727SS**  cis-148.9141.87.9-66.50000115
502Q42.3Very low42.6Very low156 Ų156123.5 Ų123.573%0.72972%0.722SS**  trans52.8146.1134.3-54.9178.114.500126.4
503N38.1Very low42.4Very low154 Ų154124 Ų12482%0.82473%0.727SS**  trans107.5149.7147.8-62.5-50.5000121.9
504A33.8Very low42.4Very low92 Ų92127.7 Ų127.776%0.7674%0.741SS**  trans-148.5-158.3-169.400000109.4
505P51.9Low41.7Very low112 Ų112127.2 Ų127.273%0.72775%0.751SS**  cis-140.3-162.9-7.440-17.9000115.7
506S38.9Very low41.3Very low111 Ų111123.8 Ų123.878%0.77676%0.758SS**  trans82.1154.6160.6-51.70000118.2
507S42.4Very low41.2Very low95 Ų95124.6 Ų124.666%0.66476%0.763SS**  cis-160.8151.13.9-134.70000114.1
508I42.3Very low40.6Very low163 Ų163132.3 Ų132.384%0.83678%0.779SS**  trans57.3136.6151.3-57.9155.8000118.4
509G40.3Very low40.2Very low75 Ų75130.5 Ų130.577%0.77378%0.784SS**  cis117.7133.96.700000112.1
510G38.2Very low39.5Very low70 Ų70127.4 Ų127.472%0.72278%0.784SS**  cis174.6-161.3-1.500000110.8
511L37.9Very low39.4Very low180 Ų180128.3 Ų128.394%0.94279%0.789SS**  trans74152166.1-55.3-176.7000118.5
512S43Very low39.2Very low96 Ų96131.2 Ų131.267%0.67180%0.796SS**  cis-161.1165.7-19-177.80000111
513M37.7Very low39.3Very low166 Ų166131 Ų13182%0.81880%0.798SS**  trans-127.5135.9173.7-77.6-84.9103.100110.9
514Q39Very low39.3Very low196 Ų196127 Ų12792%0.91679%0.787SS**  trans-168.9161.1148.7-115.7152.7106.800115
515S34.3Very low39.5Very low118 Ų118130.3 Ų130.383%0.82579%0.786SS**  trans-97.6150.6-177.2540000113.3
516G37.1Very low39.1Very low77 Ų77132 Ų13279%0.79479%0.785SS**  trans-149.6144.2169.700000112.3
517V38.3Very low39Very low132 Ų132131.4 Ų131.480%0.878%0.78SS**  trans-121.8143.8-176.7-71.40000111.6
518R36Very low38.5Very low246 Ų246134.5 Ų134.593%0.92879%0.789SS**  176.9159.4127-98162.4179.9177.7-0.2114.8
519S35.5Very low38.4Very low117 Ų117129.5 Ų129.582%0.81878%0.777SS**  trans-90.2165.7-167.6-22.60000114.9
520A39.3Very low38.2Very low99 Ų99134.1 Ų134.182%0.81878%0.778SS**  trans-150.4147.9145.700000110.6
521N37.2Very low38.1Very low149 Ų149137 Ų13780%0.79778%0.776SS**  trans-107.3165.4177.4-70.6-22.5000111.1
522I40.6Very low37.9Very low151 Ų151134.4 Ų134.477%0.77476%0.763SS**  trans-173.7113.3144.8-97146.5000105.5
523I43.6Very low37.6Very low152 Ų152135.9 Ų135.978%0.77976%0.759SS**  67.3129.282.8-64.2162.8000110.4
524A37.6Very low37.6Very low70 Ų70137.3 Ų137.358%0.57976%0.755SS**  cis-142.816218.900000111.6
525E39.2Very low37.7Very low162 Ų162135.2 Ų135.276%0.75775%0.745SS**  61.9145.294.3-61.2-169.510000116.5
526Q43.2Very low37.8Very low147 Ų147136.1 Ų136.169%0.68774%0.74SS**  cis-148154.92.5-112.6158.542.400107.7
527S36.6Very low38Very low98 Ų98137.5 Ų137.569%0.68574%0.735SS**  52.7143.590.8120.20000115.9
528L31.8Very low38.1Very low161 Ų161138.3 Ų138.384%0.84373%0.734SS**  cis-165.7171.9-5.9-156.379.7000108.6
529G40.2Very low38.3Very low57 Ų57131.5 Ų131.559%0.58872%0.721SS**  trans97.2130.4173.400000113.2
530Q36.5Very low38.4Very low172 Ų172134.5 Ų134.580%0.80472%0.722SS**  cis62.9139.622.7-32.7-173.48.600112.7
531I35.5Very low38.4Very low130 Ų130137.4 Ų137.467%0.66772%0.722SS**  cis-1641649.3-142.2172000111.5
532L32.9Very low38.7Very low127 Ų127136.3 Ų136.367%0.66572%0.723SS**  trans63.5163.9164-9047.1000117.3
533Q38.5Very low38.5Very low126 Ų126132 Ų13259%0.58972%0.716SS**  cis-168.1147.6-38.6-119.6-177.541.900109.3
534R36.8Very low38.6Very low196 Ų196131 Ų13174%0.7472%0.719SS**  trans67.5160.1154.6-62.8176.7-173.1-122.4-2.3115.6
535H41.8Very low38.8Very low152 Ų152136.4 Ų136.470%0.70473%0.733SS**  cis-1471561.8-135.1-157.7000109.6
536D34.7Very low38.7Very low137 Ų137134.3 Ų134.373%0.73373%0.731SS**  trans-53.5160.5157.8-66.7-88.7000112.1
537P42.3Very low38.5Very low106 Ų106134.6 Ų134.669%0.68874%0.736SS**  cis-150.4171.934.743.6-22.9000119.9
538I40.6Very low38.8Very low150 Ų150134.7 Ų134.777%0.76974%0.735SS**  12.6125.1127.2-46.1173.5000113.9
539P39.9Very low39.1Very low102 Ų102134.3 Ų134.366%0.66273%0.732SS**  -161.3171.873.145.7-25.4000122.3
540H37.7Very low39Very low181 Ų181136.8 Ų136.884%0.83874%0.736SS**  trans72.7136.3147-75.7-54.7000123.4
541I39Very low39.2Very low160 Ų160133.9 Ų133.982%0.82173%0.73SS**  trans-86138.2170.4-58.9157.7000109.8
542P44.8Very low39.3Very low125 Ų125136.3 Ų136.381%0.81274%0.739SS**  trans-121.3164.8130.13.318.2000110
543G35.1Very low39.7Very low60 Ų60134.4 Ų134.462%0.61973%0.733SS**  cis142.9124.110.800000108.2
544P46.1Very low39.8Very low132 Ų132136.7 Ų136.786%0.85774%0.744SS**  trans-87.4154-158.833.6-37.5000116
545Q41.2Very low39.8Very low184 Ų184133.8 Ų133.886%0.8674%0.744SS**  trans-154.6146.2173.6-74.3-168.275.600108.9
546T38.5Very low39.6Very low117 Ų117132.1 Ų132.172%0.71874%0.744SS**  cis-156.6151.3-12.2-790000110.3
547L37.7Very low39.7Very low153 Ų153131.2 Ų131.280%0.80174%0.743SS**  trans-35179163.2-66.6173.5000118.8
548P42.7Very low39.2Very low101 Ų101131.4 Ų131.466%0.65675%0.747SS**  cis-138.8-154.3-15.326.50.2000114
549I38.6Very low39.1Very low152 Ų152129.5 Ų129.578%0.77975%0.747SS**  trans80.9139.5152.7-72.4162.4000116.7
550T38.5Very low38.7Very low109 Ų109134.3 Ų134.367%0.66976%0.758SS**  cis-175154.2-21.2-140.30000108.4
551T39.5Very low38.8Very low111 Ų111131.3 Ų131.368%0.68175%0.754SS**  cis-168.5140.3-21.5180000111
552Q38.3Very low38.3Very low182 Ų182129 Ų12985%0.8575%0.752SS**  trans72.8168.1148.2-105.2-152.487.700119.9
553P40.9Very low37.6Very low86 Ų86130 Ų13056%0.55875%0.751SS**  -140.1-173.2-11845-25000115.5
554Q41.5Very low37.4Very low174 Ų174131.6 Ų131.681%0.81375%0.753SS**  trans175.6133.3132.7-95.2154.878.500109.3
555N35.8Very low36.9Very low136 Ų136133.2 Ų133.273%0.72775%0.749SS**  67.2129.798.7-142.119.8000112.3
556V38.9Very low36.7Very low116 Ų116129.1 Ų129.170%0.70374%0.736SS**  cis-150.7151.232-148.50000112.3
557T36.1Very low36.7Very low118 Ų118131.9 Ų131.972%0.72474%0.741SS**  trans30124.4150.9-60.70000121.7
558S32.8Very low36.6Very low111 Ų111132.3 Ų132.378%0.77674%0.739SS**  trans-88.3153157.256.20000112.4
559S37.3Very low36.3Very low109 Ų109134.4 Ų134.476%0.76274%0.744SS**  trans-156.9137.7166.1-77.70000112.2
560F31.9Very low36.3Very low203 Ų203134.1 Ų134.189%0.8975%0.745SS**  trans-76.4177.2162.5-58.3-88.5000109.4
561P38.5Very low35.9Very low118 Ų118138 Ų13877%0.76675%0.753SS**  cis-138.4-163.18.243.5-24000114.8
562S29.7Very low35.9Very low111 Ų111138.2 Ų138.278%0.77676%0.755SS**  trans-52.5146167.5-38.10000113.8
563N29.9Very low35.6Very low147 Ų147136.6 Ų136.679%0.78675%0.751SS**  178.7158.789.2-155.2-3.7000112.6
564S30.9Very low35.6Very low94 Ų94140 Ų14066%0.65776%0.76SS**  trans38.8125.9152.662.50000122.1
565H35.6Very low35.6Very low165 Ų165138.1 Ų138.176%0.76475%0.75SS**  150.9107.4102.2-168.8-99.8000115.7
566V37Very low35.7Very low98 Ų98137.5 Ų137.559%0.59475%0.747SS**  trans37.8113.7141.4-172.50000121
567Q39.4Very low35.7Very low176 Ų176140.7 Ų140.782%0.82275%0.747SS**  -168.9119.2123.3-991531600108.2
568Q34.9Very low35.9Very low161 Ų161141 Ų14175%0.75274%0.74SS**  50.3106.691.1-68.6-171.6-4.800114.9
569N37.1Very low36.3Very low145 Ų145141.5 Ų141.578%0.77573%0.73SS**  175.4138.2117.1-87.3-37.2000115.3
570N38.6Very low36.4Very low147 Ų147142.8 Ų142.879%0.78672%0.724SS**  trans48.2123.9148.3-62-29.8000125.5
571F28.6Very low36.8Very low191 Ų191142.6 Ų142.684%0.83872%0.723SS**  trans-34.8161.2142.5-66-75.1000115.8
572P39.7Very low36.8Very low114 Ų114143 Ų14374%0.7472%0.723SS**  -156.9154.956.642.4-19.9000122.9
573I32.5Very low37.6Very low149 Ų149144.1 Ų144.176%0.76473%0.725SS**  trans37.2118.8131.4-49.6169.2000121.1
574H40.2Very low38.1Very low158 Ų158142.7 Ų142.773%0.73172%0.724SS**  -161.3119.5129.7-123.7-130.6000110.9
575Q41.9Very low38.3Very low133 Ų133147.5 Ų147.562%0.62174%0.735SS**  76.2117105.8-74.1-149.340.400116.7
576N37.9Very low38.4Very low124 Ų124144.7 Ų144.766%0.66374%0.741SS**  93.5144.782.3-144.65.1000109.6
577R39.5Very low38.3Very low183 Ų183145.1 Ų145.169%0.69176%0.755SS**  cis-172.1143.630.1-173.5165161.5165.3-1.8114.2
578Q39.8Very low38.2Very low125 Ų125141.5 Ų141.558%0.58475%0.754SS**  trans60.5163.8155.5-75.7-179.1-66.600120.9
579E41.1Very low38.2Very low120 Ų120141.2 Ų141.256%0.56176%0.758SS**  cis-134.1155.11.9-78.8-6523.100112.8
580Q40.4Very low38.2Very low136 Ų136142.1 Ų142.164%0.63676%0.761SS**  trans33.1135.3138.7-57.7164.444.800120.9
581F38.9Very low38.2Very low199 Ų199140.3 Ų140.387%0.87376%0.76SS**  -140.7169.255.5-109.2-102.3000115
582V39.6Very low38.7Very low126 Ų126137.5 Ų137.576%0.76476%0.759SS**  trans-138149.5-173.3176.10000110.6
583V45.5Very low39.1Very low136 Ų136137.9 Ų137.982%0.82476%0.761SS**  trans174148.7140.1145.90000110.4
584P41.5Very low39.3Very low116 Ų116135.2 Ų135.275%0.75376%0.756SS**  trans-118.4-173.9-153.742.7-31.3000116.5
585H34.2Very low39.6Very low196 Ų196134.6 Ų134.691%0.90776%0.755SS**  trans-55.4142.1172.6-77-114.1000114.1
586A38.4Very low39.5Very low106 Ų106135.7 Ų135.788%0.87676%0.76SS**  trans-149.3156.2153.600000109.8
587A33.9Very low39.6Very low107 Ų107134.5 Ų134.588%0.88476%0.761SS**  trans-131.3140.8176.200000110.5
588A38.6Very low39.5Very low99 Ų99134.3 Ų134.382%0.81877%0.769SS**  trans-151.9151.6173.900000111
589N34.7Very low39.7Very low156 Ų156133 Ų13383%0.83477%0.77SS**  trans-92.3-160.7174.1-70.3-62.1000110.8
590I37.6Very low39.4Very low164 Ų164135.4 Ų135.484%0.84179%0.786SS**  trans99.8130.5172.3-55.9157.7000112.9
591S38.5Very low39.1Very low109 Ų109133.1 Ų133.176%0.76279%0.79SS**  cis-163.5157.7-24-95.80000109.2
592T38.7Very low38.9Very low132 Ų132129.3 Ų129.381%0.8179%0.788SS**  trans-84.3157.2170.353.70000112
593P48.7Very low38.6Very low122 Ų122131.3 Ų131.379%0.79279%0.788SS**  -135.6-176.797.915.27.3000112
594S36.6Very low37.9Very low93 Ų93132.7 Ų132.765%0.6579%0.788SS**  cis169.1175.3-29.2-170.60000106.8
595M45.5Very low37.5Very low145 Ų145130.5 Ų130.571%0.71479%0.787SS**  trans82.4131.3179.7-54.3-63.599.100116.1
596Q40.2Very low37.5Very low156 Ų156129.5 Ų129.573%0.72978%0.782SS**  cis-159.7154.6-18.2-149.2171.4-6.400110.3
597S39.4Very low37Very low98 Ų98130.3 Ų130.369%0.68577%0.77SS**  trans32.5145.1151.355.40000122.5
598Q36.9Very low37.3Very low180 Ų180131.7 Ų131.784%0.84176%0.758SS**  cis176.8168.9-21-104-100.1-38.200105.6
599P45.3Very low37.1Very low96 Ų96136 Ų13662%0.62375%0.754SS**  trans-97.5179.6-16939.9-34.9000113.4
600I35.4Very low37.2Very low172 Ų172131.7 Ų131.788%0.88275%0.745SS**  trans-177.2153.2133.7-95.1152.5000109.3
601A33.5Very low37.4Very low87 Ų87126.6 Ų126.672%0.71973%0.734SS**  trans-112.6147.5176.200000111.2
602S33.7Very low37.1Very low119 Ų119130.3 Ų130.383%0.83273%0.732SS**  trans-179.9146.2151.6-90.20000115.1
603H33Very low37.2Very low168 Ų168126.9 Ų126.978%0.77872%0.724SS**  trans72.3158.5135.8-171.3-87.5000121.7
604M31.2Very low36.8Very low166 Ų166128.7 Ų128.782%0.81873%0.725SS**  trans-67.7163.7-172.1-43.9179.9-170.400116.6
605G34.2Very low36.8Very low70 Ų70132.8 Ų132.872%0.72273%0.734SS**  trans134.1109.3170.500000109.7
606H32.9Very low36.5Very low174 Ų174130.4 Ų130.481%0.80673%0.729SS**  cis69.9134.241.8-162.751000113.7
607I29.3Very low36.1Very low124 Ų124131.9 Ų131.964%0.63674%0.736SS**  trans69.4145172.8-73.6173000114.2
608Q40.1Very low36.1Very low136 Ų136132.1 Ų132.164%0.63674%0.744SS**  cis-158.2-178-18.6-106175.561.300105.8
609R33.7Very low36Very low190 Ų190131.3 Ų131.372%0.71774%0.744SS**  cis-162.1169.39.7-138.8179.3-156.4-125.62111Y612R609-Y612 HydrophobicContact CG-CE1 3.93Å
610G36Very low35.7Very low64 Ų64132.1 Ų132.166%0.6675%0.75SS**  trans107.9125.214700000117.2
611G42.4Very low35.4Very low58 Ų58130.7 Ų130.760%0.59874%0.744SS**  cis-155.6132.6-8.300000111.8
612Y33Very low35.2Very low186 Ų186133.6 Ų133.673%0.72975%0.746SS**  66.9132.684.526.1-105000118.4R609R609-Y612 HydrophobicContact CG-CE1 3.93Å
613G40.8Very low34.9Very low61 Ų61132.1 Ų132.163%0.62974%0.735SS**  trans14174.8-173.300000109.7
614I38.8Very low34.7Very low159 Ų159129 Ų12982%0.81573%0.728SS**  67.5120.893.5-58.1164.1000109.6
615E37.9Very low34.7Very low179 Ų179127.9 Ų127.984%0.83672%0.721SS**  -149.3160.650.9-162.8164.490.400114.6
616P39.7Very low34.5Very low96 Ų96130.9 Ų130.962%0.62372%0.72SS**  trans-132.3178.7-174.940.7-22.6000117
617Q31.9Very low34.4Very low187 Ų187125.9 Ų125.987%0.87472%0.715SS**  trans76.3120161.2-50.3-176.830.500120
618A38.1Very low34.7Very low102 Ų102128.1 Ų128.184%0.84372%0.723SS**  -168.8136.6122.600000111.7
619L35.6Very low34.4Very low163 Ų163128.5 Ų128.585%0.85373%0.729SS**  trans-100.4149.8159.7-64.6168.8000107.1
620P39.1Very low34.5Very low113 Ų113128.2 Ų128.273%0.73473%0.734SS**  -123.5162.872.65.918.3000112.3
621N28.5Very low34.4Very low143 Ų143131.8 Ų131.877%0.76574%0.738SS**  cis74.5149.144.2-159.310.7000113.6
622I28.7Very low33.9Very low147 Ų147135.3 Ų135.375%0.75475%0.747SS**  trans71.7143.1175.4-50.1168.6000114.3
623S27.5Very low33.9Very low88 Ų88130.1 Ų130.162%0.61574%0.743SS**  cis179161.3-30.7179.10000107.8
624T29.2Very low33.4Very low103 Ų103131.7 Ų131.763%0.63274%0.744SS**  trans61.6132.9147.133.10000122.7
625H31.6Very low33.3Very low143 Ų143132.2 Ų132.266%0.66274%0.743SS**  66.1153.4128.382.9-5.1000123
626N29.6Very low33.4Very low133 Ų133130 Ų13071%0.71174%0.742SS**  trans57.1115.3157.4-53.3-17.2000117
627G31.8Very low33.4Very low68 Ų68131.1 Ų131.170%0.70175%0.749SS**  cis90.4106.47.200000113
628H35.4Very low34.2Very low171 Ų171127.4 Ų127.479%0.79274%0.741SS**  trans-144.7135.6169.3-89.1-66.7000112.2F630H628-F630 HydrophobicContact CB-CE2 4.16Å
629N32.9Very low34Very low145 Ų145128.9 Ų128.978%0.77574%0.735SS**  trans-93.8134172.4-63.2-62.4000110.9
630F35.9Very low34.1Very low183 Ų183128 Ų12880%0.80373%0.729SS**  trans-146.8113.4152.4-54.2-77.5000105H628H628-F630 HydrophobicContact CB-CE2 4.16Å
631N33.4Very low34.3Very low140 Ų140127.4 Ų127.475%0.74973%0.725SS**  cis67152.725.7-155.419.5000114.8
632V33.4Very low34.6Very low132 Ų132127 Ų12780%0.873%0.728SS**  trans72.497.2-160.7-169.40000110.8
633A31.5Very low35.1Very low76 Ų76124 Ų12463%0.62873%0.726SS**  cis76.7110.52300000116.1
634S31.6Very low35.7Very low95 Ų95125.5 Ų125.566%0.66473%0.731SS**  trans-178.2132.6146.7-89.40000114.2
635Q36.1Very low36.3Very low170 Ų170128.9 Ų128.979%0.79474%0.739SS**  trans60.7122.1131.5-59171.279.300118.5
636V39.5Very low36.7Very low132 Ų132126.5 Ų126.580%0.874%0.744SS**  cis65.1130.929.3-168.80000111.4
637P39.9Very low37.4Very low120 Ų120123.9 Ų123.978%0.77975%0.749SS**  cis-133.6-176.630.920.17.4000117.5
638P48.9Very low37.6Very low108 Ų108129.7 Ų129.770%0.70176%0.758SS**  trans-108.9-179.9177.542.1-35.2000114.7
639N34.4Very low37.8Very low134 Ų134128.8 Ų128.872%0.71776%0.764SS**  trans172.4139.4143.6-98.7-91.3000108.8
640I36.6Very low38Very low143 Ų143130.6 Ų130.673%0.73377%0.768SS**  82.8139.158.1-87.6170.7000113.6
641P43.5Very low38Very low101 Ų101128.9 Ų128.966%0.65677%0.772SS**  cis-148.6-172.1-20.945.5-26.2000117.3
642T35.6Very low38.2Very low135 Ų135126.8 Ų126.883%0.82877%0.765SS**  trans34.1133.7137.3-58.30000124.3
643A39.1Very low38.4Very low85 Ų85127.6 Ų127.670%0.70276%0.763SS**  trans-168.1143.9132.300000115.6
644V39.3Very low38.7Very low119 Ų119131 Ų13172%0.72177%0.77SS**  trans41.8136.6134.1178.20000119.9
645H42.7Very low39Very low173 Ų173133.9 Ų133.980%0.80178%0.775SS**  cis-179.6-169.9-15.1-93.1165.7000107
646A39.5Very low39.5Very low94 Ų94130.8 Ų130.878%0.77777%0.77SS**  -173.7153.1-57.400000109
647G44.5Very low39.4Very low78 Ų78134.9 Ų134.980%0.80477%0.771SS**  trans177.6138.1174.800000116.2
648Q36.8Very low39.2Very low189 Ų189136.7 Ų136.788%0.88377%0.774SS**  trans-142159.6178.9-64.4178.8-52.100110.6
649T38.7Very low39.1Very low152 Ų152134.9 Ų134.993%0.93378%0.775SS**  -179.7169.6129.324.30000111.9
650Q36.3Very low39.3Very low184 Ų184136.5 Ų136.586%0.8678%0.778SS**  trans-157.8147.9-162.1-177.3174.59.100111.8
651V37.7Very low39.4Very low146 Ų146135.6 Ų135.689%0.88577%0.774SS**  trans-148.9176.4172.3103.10000113.9
652T36.1Very low39Very low97 Ų97136.2 Ų136.260%0.59578%0.781SS**  -158.8119.5-123.1-67.30000115.9
653I38.2Very low39.1Very low148 Ų148133.6 Ų133.676%0.75978%0.781SS**  trans70.6147.3146.9-57.3173.8000116
654D37.3Very low39.7Very low147 Ų147135.4 Ų135.479%0.78679%0.786SS**  cis-162.217847.8-143.6-45.1000114.9
655M38.2Very low39.6Very low156 Ų156139.3 Ų139.377%0.76880%0.796SS**  trans-163.9119.5177.2169.857.677.300117.5
656P47.5Very low39.2Very low106 Ų106136.6 Ų136.669%0.68880%0.796SS**  trans-141.7170.3163.638.1-21.3000116.6
657R37.4Very low39.1Very low218 Ų218139 Ų13982%0.82380%0.795SS**  cis-176.5159.9-39.2-114.3176-176.2-74.2-8.1113.8
658L36.2Very low39.1Very low158 Ų158142.8 Ų142.883%0.82779%0.791SS**  trans79.8145.2155.7-76.6157.9000122.7
659G45.6Very low39.1Very low70 Ų70139.4 Ų139.472%0.72278%0.779SS**  trans161.1147.517000000113.9
660Q38.5Very low39.2Very low168 Ų168140.3 Ų140.379%0.78578%0.775SS**  trans-151.8167.1-167.5-72.3-179.5-142.900116.9
661D38.4Very low39.2Very low123 Ų123139 Ų13966%0.65877%0.769SS**  trans101.2113.4141.3-91.1-72000125
662S36.8Very low39.2Very low115 Ų115139.3 Ų139.380%0.80476%0.762SS**  64.1127.1126-66.70000127.3
663G37.3Very low39.3Very low79 Ų79143 Ų14381%0.81477%0.773SS**  trans122.8122.9134.300000121.9
664P50.2Low39.6Very low124 Ų124140.9 Ų140.981%0.80577%0.768SS**  trans-135160.817641.8-28.5000117.7
665Q37.3Very low39.9Very low201 Ų201143 Ų14394%0.93978%0.776SS**  trans176.1173.7147.2-108.5-179.423.800117.3
666S35.5Very low39.6Very low115 Ų115141.1 Ų141.180%0.80478%0.779SS**  trans101.4153.3161.7-150.20000119.5
667I38.1Very low39.6Very low146 Ų146142 Ų14275%0.74978%0.784SS**  trans-155141.9-155.9-75.9135.4000113.5
668H43.2Very low39.7Very low156 Ų156139.2 Ų139.272%0.72279%0.785SS**  trans-158.8135.3153-108.252.7000109.1
669N37.6Very low39.6Very low118 Ų118137 Ų13763%0.63178%0.778SS**  67.9145.468.3-58.5-9000112.5
670M40.9Very low39.5Very low171 Ų171142.9 Ų142.984%0.84279%0.787SS**  cis-170.117018.140.3-178.9177.800108.7
671E35.6Very low39.2Very low157 Ų157140 Ų14073%0.73479%0.786SS**  cis-175-171.9-24.4-172.4157105.900108.8
672M36.9Very low39.6Very low153 Ų153143.2 Ų143.275%0.75480%0.797SS**  trans81.9163.4166-55.3-63.2-179.800120.7
673Q39.3Very low39.6Very low174 Ų174142.9 Ų142.981%0.81379%0.794SS**  -164.2172.7-70.5-107.1-149.92000112
674P44.9Very low39.6Very low103 Ų103145.5 Ų145.567%0.66979%0.789SS**  trans-112.3-179.2-164.143.3-37.1000116.6
675M42Very low39Very low191 Ų191148.1 Ų148.194%0.94179%0.79SS**  trans-161.6176.5158.2-109.9164.9-158.500114
676S31.7Very low39Very low118 Ų118142.1 Ų142.183%0.82578%0.782SS**  trans-134.2-134.1-164.9-59.40000116.9
677P48.6Very low39.1Very low125 Ų125144.8 Ų144.881%0.81279%0.787SS**  -122.4179.1-116.539.4-21.9000116.5
678N39.6Very low39.2Very low158 Ų158142.6 Ų142.685%0.84578%0.782SS**  trans-152.9169.2162.8-154-0.4000113.7
679V34.7Very low38.8Very low112 Ų112142.8 Ų142.868%0.67979%0.788SS**  trans-136.8152.3-164.1-176.40000111.7
680Q41.8Very low39.1Very low193 Ų193143.2 Ų143.290%0.90279%0.794SS**  trans-157.4158.9157.1-114.3164.826.100113.3
681S32.6Very low39Very low108 Ų108140.5 Ų140.576%0.75579%0.79SS**  trans-159.9142.1-169.4-47.50000113.7
682Q46.9Very low38.6Very low191 Ų191137.7 Ų137.789%0.89379%0.793SS**  trans-149.1131.5161.8-58.9-170.712.100107.9
683S36.6Very low38.7Very low108 Ų108136.5 Ų136.576%0.75580%0.8SS**  74.3134.769-122.20000113.1
684L37.3Very low38.4Very low134 Ų134133.9 Ų133.970%0.70280%0.8SS**  cis-153.8159.825.4-86.2170.6000114.8
685Q37.6Very low37.8Very low178 Ų178134.3 Ų134.383%0.83281%0.806SS**  trans65.1126.8142.7-69.4161.66.600123.9
686G36.8Very low37.7Very low75 Ų75129.9 Ų129.977%0.77380%0.8SS**  trans163.6136.8164.800000113.4
687L39.3Very low37.9Very low172 Ų172130.9 Ų130.990%0.90180%0.796SS**  trans-139.7172.1-168.5-72.5176.7000111.8
688P39.4Very low37.2Very low100 Ų100133.4 Ų133.465%0.64980%0.799SS**  cis-141.4-171.1-41.141.1-24.2000114.4
689L35.4Very low37.2Very low160 Ų160131 Ų13184%0.83880%0.802SS**  trans69.6146.4160.9-99.562.2000117.1
690V42.5Very low37.2Very low127 Ų127128.9 Ų128.977%0.7780%0.802SS**  cis-134.6146.712.4178.60000109.9
691P38.6Very low37.2Very low114 Ų114126.6 Ų126.674%0.7480%0.801SS**  trans-86.3167.1-177.835.5-37.5000115.4
692A28.4Very low37.5Very low98 Ų98127 Ų12781%0.8180%0.8SS**  trans-85.2162.4171.800000112.9
693S38.7Very low37Very low127 Ų127123.6 Ų123.689%0.88879%0.793SS**  trans-146.2154.2172.4-74.80000111.9
694S33.7Very low37.2Very low119 Ų119124.2 Ų124.283%0.83279%0.794SS**  trans-96.6177.8-17155.90000115
695S31.4Very low37.1Very low113 Ų113126 Ų12679%0.7980%0.798SS**  trans-61148.1178.753.10000116
696A39.7Very low37Very low98 Ų98125.5 Ų125.581%0.8180%0.802SS**  trans-153.7170.616000000111.7
697D36.6Very low36.9Very low138 Ų138125.5 Ų125.574%0.73879%0.794SS**  trans-82.3149.1-153.4-63.8-92.2000120.9
698M33.9Very low36.9Very low178 Ų178124.4 Ų124.488%0.87780%0.795SS**  trans35.4107.4136.8-65.3-67-177.500122.8
699A38.8Very low36.9Very low109 Ų109128.3 Ų128.390%0.90180%0.801SS**  trans-160.8156.3147.800000111.3
700G35Very low36.7Very low66 Ų66126.5 Ų126.568%0.6880%0.802SS**  cis154.1112.3-16.600000115.9
701V41.7Very low36.6Very low145 Ų145126.9 Ų126.988%0.87980%0.795SS**  trans69138159.8-171.90000117.5
702P38.9Very low36.6Very low116 Ų116129.6 Ų129.675%0.75380%0.798SS**  cis-130.9-171.9-30.739.8-21.3000113.8
703V37.4Very low37.2Very low120 Ų120131.6 Ų131.673%0.72780%0.8SS**  trans-91.8165.2176-146.20000112.2
704P40.8Very low37.3Very low122 Ų122129.9 Ų129.979%0.79279%0.788SS**  -137.2160109.239.2-30000115.2
705H33.7Very low37.7Very low170 Ų170132 Ų13279%0.78778%0.778SS**  trans-72.2149.6177.8-70.6-120000112.7
706N36.8Very low38Very low168 Ų168133.3 Ų133.390%0.89878%0.781SS**  -160.4167.5125.4-110.5-38.2000114.1
707A34.4Very low38.1Very low75 Ų75134.2 Ų134.262%0.6278%0.776SS**  trans-74.3144.9-160.500000116.6
708V38.3Very low38.1Very low150 Ų150131.5 Ų131.591%0.90977%0.773SS**  trans-121.3131.7145.7178.50000107.4
709K40Very low38.3Very low182 Ų182128.7 Ų128.779%0.79177%0.771SS**  trans-107.6129.4-175.9-62.5173.9-177.4172.60110.4E711K709-E711 PolarHBondContact O-N 3.47Å
710S32.4Very low38.1Very low121 Ų121131.2 Ų131.285%0.84677%0.768SS**SBendtrans38.277.8142.3-177.20000119.4
711E40Very low38.4Very low135 Ų135132.5 Ų132.563%0.63177%0.772SS**  trans-149.39.7165.2-133.8-170.298.100119K709 R715K709-E711 PolarHBondContact O-N 3.47Å; E711-R715 PolarHBondContact O-NE 2.9Å; E711-R715 VanDerWaalsContact O-NE 3.11Å; E711-R715 PolarHBondContact O-NH2 2.86Å; E711-R715 IonicContact OE1-CZ 3.5Å; E711-R715 IonicContact OE1-NH2 3.34Å; E711-R715 PolarHBondContact OE1-NH2 3.31Å
712E38.9Very low38.3Very low172 Ų172134.5 Ų134.580%0.80477%0.772SS**SBendtrans-113.5-11.3-175.6-63.9-166.2116.900115.7S714E712-S714 VanDerWaalsContact C-N 3.32Å; E712-S714 PolarHBondContact O-N 2.97Å
713V39.4Very low38.3Very low140 Ų140138.6 Ų138.685%0.84877%0.774SS**THydrogen-bonded Turntrans-81.5-11.1179.3-175.70000112.7
714S41.5Very low38.3Very low90 Ų90143.1 Ų143.163%0.62978%0.784SS**THydrogen-bonded Turntrans-90.5-11.9-175-53.90000115.3E712 V716E712-S714 VanDerWaalsContact C-N 3.32Å; E712-S714 PolarHBondContact O-N 2.97Å; S714-V716 PolarHBondContact O-N 3.04Å
715R42.1Very low38.1Very low164 Ų164140.4 Ų140.462%0.61978%0.778SS**THydrogen-bonded Turntrans-85.3-2.9-166.6-56.4-175.7-156.8-117.1-9115.2E711E711-R715 PolarHBondContact O-NE 2.9Å; E711-R715 VanDerWaalsContact O-NE 3.11Å; E711-R715 PolarHBondContact O-NH2 2.86Å; E711-R715 IonicContact OE1-CZ 3.5Å; E711-R715 IonicContact OE1-NH2 3.34Å; E711-R715 PolarHBondContact OE1-NH2 3.31Å
716V37.9Very low38.3Very low141 Ų141140.2 Ų140.286%0.85578%0.783SS**THydrogen-bonded Turntrans-111.1-6.3177.7-172.20000112.4S714S714-V716 PolarHBondContact O-N 3.04Å
717T41.5Very low38.3Very low116 Ų116138.7 Ų138.771%0.71278%0.78SS**THydrogen-bonded Turntrans-104.3-9.9-175.9-37.10000113.6S719T717-S719 PolarHBondContact O-N 3.31Å
718A35.9Very low38.6Very low81 Ų81139.4 Ų139.467%0.66979%0.786SS**SBendtrans-78.9-8.6-171.700000115.7L720A718-L720 PolarHBondContact O-N 2.9Å
719S38.6Very low38.2Very low120 Ų120142.9 Ų142.984%0.83979%0.789SS**THydrogen-bonded Turntrans-9724.4-164.9-1660000115.9T717T717-S719 PolarHBondContact O-N 3.31Å
720L35.9Very low38.2Very low162 Ų162137.9 Ų137.985%0.84879%0.789SS**THydrogen-bonded Turntrans-135.63.6-178.1-164.853.9000114.8A718 Q722A718-L720 PolarHBondContact O-N 2.9Å; L720-Q722 VanDerWaalsContact C-N 3.34Å; L720-Q722 PolarHBondContact O-N 3.33Å
721A39.3Very low38.3Very low92 Ų92137.4 Ų137.476%0.7679%0.793SS**  trans-89.920.1-175.200000114.9
722Q39.6Very low38.3Very low188 Ų188134.5 Ų134.588%0.87980%0.8SS**  trans-103.515.3-173.2-73.4-172-24.800115.1L720L720-Q722 VanDerWaalsContact C-N 3.34Å; L720-Q722 PolarHBondContact O-N 3.33Å
723Y39.5Very low38.1Very low201 Ų201132.5 Ų132.579%0.78880%0.799SS**SBendtrans-120.5149.6165.1-82.1-100000109.3
724F38.3Very low38Very low215 Ų215132.8 Ų132.894%0.94380%0.801SS**  trans74.379.5-172.5-45.3-67.9000115.4
725G37.1Very low37.6Very low65 Ų65131.6 Ų131.667%0.6780%0.803SS**  trans-123.8160.8157.100000110.6
726N37.9Very low37.3Very low166 Ų166132.1 Ų132.189%0.88882%0.817SS**  trans70.9132.5177.2-53.7-9.8000114.3
727T36.4Very low37.1Very low136 Ų136134 Ų13483%0.83482%0.816SS**  cis-149.8173.5-1.341.80000108.3
728A39.7Very low36.7Very low90 Ų90134.1 Ų134.174%0.74482%0.82SS**  cis-163.2151.5-35.400000106.9
729F31.2Very low37Very low223 Ų223135.7 Ų135.798%0.97883%0.825SS**  trans-104.2150.3178.2-90.2-93.6000112.1
730G39.3Very low36.9Very low77 Ų77138.5 Ų138.579%0.79483%0.825SS**  trans-136.9137.9164.500000109.5
731A34.6Very low37.2Very low111 Ų111135.4 Ų135.492%0.91782%0.815SS**  trans-121.2153.7-172.400000112.4
732G39.2Very low37.3Very low75 Ų75137.5 Ų137.577%0.77381%0.813SS**  trans-161.2147.7174.400000109.4
733T34.5Very low37.1Very low130 Ų130134.8 Ų134.880%0.79880%0.802SS**  trans-134.3170.8-157.950.20000114.4
734V38.3Very low37.1Very low146 Ų146133.3 Ų133.389%0.88581%0.808SS**  trans76.5143.7170.1-166.60000115
735G34Very low36.9Very low65 Ų65127.5 Ų127.567%0.6780%0.8SS**  trans179.9-25.9172.400000124.1
736L35Very low37Very low175 Ų175130.4 Ų130.492%0.91681%0.809SS**  trans57.7150.9172.6-69.3172.8000121.7
737Q32.6Very low36.8Very low179 Ų179130 Ų13084%0.83681%0.806SS**  trans75.7129156.8-136-15467.100120.7
738P34.7Very low37Very low120 Ų120132 Ų13278%0.77981%0.809SS**  trans-110.2148.8173.538.6-30.9000114.3
739S40.5Very low36.7Very low113 Ų113132.4 Ų132.479%0.7981%0.812SS**  trans-141.8127.7163.354.20000112.8
740Q36.6Very low37.1Very low179 Ų179128.1 Ų128.184%0.83680%0.804SS**  trans-106.4177.6162.2-75.3-80.2-24.700106.7
741P44.1Very low37.2Very low97 Ų97129.7 Ų129.763%0.6380%0.801SS**  cis-130.1178.3-0.841.8-27.5000113.9M743P741-M743 HydrophobicContact CB-SD 4.47Å; P741-M743 HydrophobicContact CG-SD 4.44Å
742N40.4Very low37.5Very low137 Ų137130.4 Ų130.473%0.73380%0.795SS**  -151.9154.5126-154.7-1.8000111.1
743M35.6Very low37.6Very low130 Ų130133.3 Ų133.364%0.6480%0.798SS**  trans-111.8148.6-17533.6-84.1162.600110.6P741P741-M743 HydrophobicContact CB-SD 4.47Å; P741-M743 HydrophobicContact CG-SD 4.44Å
744N40Very low38Very low171 Ų171133.2 Ų133.291%0.91480%0.797SS**  trans-172.9157131.8-92.5-33.7000110.3
745A34Very low38.6Very low93 Ų93130.1 Ų130.177%0.76978%0.78SS**  trans-119.1149.8-16700000112.8
746S37.9Very low39.3Very low125 Ų125132.2 Ų132.287%0.87478%0.782SS**  -166.5152.2129.5-88.60000113.9
747L33.9Very low39.2Very low157 Ų157129.9 Ų129.982%0.82278%0.777SS**  trans-55.3142.1174.3-58.1154.2000112.5
748M41.5Very low39.6Very low180 Ų180128 Ų12889%0.88778%0.777SS**  -162.4161.4122.7-88.4-38.5146.600110.8
749A33.5Very low39.8Very low98 Ų98130 Ų13081%0.8178%0.776SS**  trans-82155.2-170.800000114.3
750T39.8Very low39.5Very low133 Ų133129.9 Ų129.982%0.81677%0.773SS**  trans-131.5148.3171.345.90000112.3
751P41.5Very low39.7Very low110 Ų110127.4 Ų127.471%0.71477%0.766SS**  trans-81.6169.6-17233.4-36.9000113.7V753P751-V753 PolarHBondContact O-N 3.41Å
752P38.9Very low39.3Very low125 Ų125128.7 Ų128.781%0.81277%0.774SS**  trans-66.2125.9-173.225.5-35.7000113.7V754P752-V754 PolarHBondContact O-N 3.14Å
753V41.7Very low39.1Very low137 Ų137130.5 Ų130.583%0.8377%0.77SS**  trans-70.8114.5177175.60000111P751P751-V753 PolarHBondContact O-N 3.41Å
754V43.3Very low39.2Very low128 Ų128129.5 Ų129.578%0.77677%0.774SS**PPolyproline II helixtrans-77.8124.6169.1179.40000109.1P752P752-V754 PolarHBondContact O-N 3.14Å
755P52.1Low39.3Very low81 Ų81128.1 Ų128.153%0.52676%0.756SS.*PPolyproline II helixtrans-72.3144.8175.429.9-34.2000111.2
756P46.8Very low39.5Very low109 Ų109127.7 Ų127.771%0.70875%0.752SS**PPolyproline II helixtrans-69.1155.3-170.527.5-35.9000113.8V758P756-V758 PolarHBondContact O-N 2.91Å
757P34.6Very low39.6Very low126 Ų126129.2 Ų129.282%0.81875%0.745SS**  trans-72.1111.2177.329.7-33.8000111.1Q759P757-Q759 PolarHBondContact O-N 3.44Å
758V41Very low39.9Very low138 Ų138130.8 Ų130.884%0.83675%0.748SS**  trans-76.3110.6172.4-179.90000109.3P756P756-V758 PolarHBondContact O-N 2.91Å
759Q37.3Very low39.8Very low162 Ų162130.5 Ų130.576%0.75775%0.745SS**  trans-54.8136.6174-75-77.99.900111.6P757 N761P757-Q759 PolarHBondContact O-N 3.44Å; Q759-N761 PolarHBondContact O-N 3.35Å
760P35.3Very low39.9Very low111 Ų111131.8 Ų131.872%0.72174%0.743SS**  trans-85.5103.6178.532.8-31.8000111.6P762P760-P762 WeakPolarHBondContact O-CD 3.24Å
761N39.8Very low39.6Very low128 Ų128129.3 Ų129.368%0.68474%0.744SS**  trans-64.6123.5166.5-81.312.4000110Q759 W763Q759-N761 PolarHBondContact O-N 3.35Å; N761-W763 VanDerWaalsContact O-CD1 3.25Å
762P35.6Very low39.3Very low123 Ų123132 Ų13280%0.79975%0.751SS**  trans-72.3131.9174.429.5-33.4000110.5P760P760-P762 WeakPolarHBondContact O-CD 3.24Å
763W37.2Very low39.3Very low176 Ų176132.1 Ų132.167%0.66775%0.749SS**  trans-104.5124.3177.1-73.779000110.4N761 W765N761-W763 VanDerWaalsContact O-CD1 3.25Å; W763-W765 VanDerWaalsContact C-N 3.32Å; W763-W765 PolarHBondContact O-N 3.18Å
764P37.1Very low39.3Very low109 Ų109134.5 Ų134.571%0.70875%0.751SS**  trans-79.871.6-171.732.6-36.8000113A766P764-A766 PolarHBondContact O-N 2.61Å
765W42Very low39Very low141 Ų141134.4 Ų134.453%0.53475%0.753SS.*G310 helixtrans-66.2-22.6173.5156.6-93.3000113.7W763 Q767 N929 K936W763-W765 VanDerWaalsContact C-N 3.32Å; W763-W765 PolarHBondContact O-N 3.18Å; W765-Q767 PolarHBondContact O-N 3.31Å; W765-N929 HydrophobicContact CG-CB 4.48Å; W765-N929 VanDerWaalsContact NE1-CB 3.31Å; W765-K936 HydrophobicContact CH2-CD 4.44Å
766A39.2Very low38.4Very low84 Ų84134 Ų13469%0.69476%0.763SS**G310 helixtrans-76.9-7.4-162.300000116.6P764P764-A766 PolarHBondContact O-N 2.61Å
767Q39.1Very low38.1Very low157 Ų157137 Ų13773%0.73477%0.773SS**G310 helixtrans-109.62.4-156.9-139.5168.314.500116.6W765 Q769W765-Q767 PolarHBondContact O-N 3.31Å; Q767-Q769 PolarHBondContact O-N 3.17Å
768Q41.1Very low38.3Very low190 Ų190136.7 Ų136.789%0.88877%0.77SS**THydrogen-bonded Turntrans-99.545.5-176.2-66.1-173.8-9.900114.3
769Q39.2Very low38.3Very low175 Ų175136.4 Ų136.482%0.81877%0.768SS**THydrogen-bonded Turntrans-132.97.8178.3-77.7-179.4103.900114.9Q767Q767-Q769 PolarHBondContact O-N 3.17Å
770T35.2Very low38.7Very low125 Ų125134.1 Ų134.177%0.76777%0.768SS**SBendtrans-147.5132.7-176.950.70000112.9
771G33.6Very low39Very low81 Ų81134.3 Ų134.384%0.83577%0.769SS**  trans81.9113151.900000117.6
772I34.6Very low38.9Very low167 Ų167136.5 Ų136.586%0.85678%0.775SS**  trans-85.2161.7152.2-60.4172.4000107.4
773V39.3Very low39.2Very low126 Ų126139.2 Ų139.276%0.76478%0.777SS**  trans100.189.9170.6-169.40000117.1
774Q43.2Very low39.1Very low188 Ų188139.4 Ų139.488%0.87979%0.785SS**  trans48.7147.3134.6-54.9-13986.500124.3
775P36.8Very low39.3Very low126 Ų126143 Ų14382%0.81879%0.793SS**  trans-118.1168.8-175.643.5-33.4000117.1
776G38.1Very low39.1Very low72 Ų72143.4 Ų143.474%0.74280%0.801SS**  trans117.3146.4170.200000113.4
777L41.8Very low39.1Very low173 Ų173146.5 Ų146.591%0.90680%0.801SS**  cis-147.6-178.23.3-95.5173.3000109.5
778P37Very low39.1Very low118 Ų118147.5 Ų147.577%0.76681%0.805SS**  trans-95.9176.4-147.638.9-39.8000118.9
779V42.8Very low39Very low132 Ų132147.5 Ų147.580%0.881%0.805SS**  trans-104.9149-174175.20000112.8
780P44.5Very low39.1Very low115 Ų115143.5 Ų143.575%0.74780%0.802SS**  trans-119.2161.2145.83.918.5000114
781P42.2Very low39.7Very low114 Ų114143.3 Ų143.374%0.7480%0.803SS**  trans-111.2-162.8-166.943.3-35.8000115.5
782Q38.1Very low39.8Very low174 Ų174146.9 Ų146.981%0.81380%0.798SS**  trans90.4150.8-174.7-54.3-176.6-89.500114
783Q41.3Very low40Very low181 Ų181147.5 Ų147.585%0.84679%0.789SS**  cis-141-169.77.4-146.2170.58.300112.8
784Q36.1Very low40Very low180 Ų180147.4 Ų147.484%0.84178%0.781SS**  trans-133.3129.2-159.7170.1-164.818.800112.4
785Q40.9Very low40Very low183 Ų183145 Ų14586%0.85577%0.77SS**  trans178.1160162-100.3168.61800109.1
786Q37.4Very low40.2Very low151 Ų151145.1 Ų145.171%0.70676%0.759SS**  cis-166.2-178.7-38.3-139-171.928.600110.5
787Q39.9Very low40.4Very low148 Ų148148.4 Ų148.469%0.69276%0.755SS**  trans70.886.3154.7-70.2171.240.300121.3
788Q37.5Very low40.2Very low178 Ų178148.6 Ų148.683%0.83275%0.751SS**  1.4137123.1-50.8168.337.300119.3
789Q40.7Very low40.1Very low191 Ų191147.2 Ų147.289%0.89375%0.75SS**  -173153.7127.8-106.5156.399.400114.6
790A39.6Very low40.1Very low90 Ų90146.2 Ų146.274%0.74475%0.746SS**  trans-155154.5166.600000108.1
791P47.6Very low39.9Very low121 Ų121148.9 Ų148.979%0.78675%0.749SS**  -159.6169.8105.739.8-20.2000118.8
792Q37.5Very low39.5Very low157 Ų157147.3 Ų147.373%0.73474%0.741SS**  trans18.7143.8148.2-60.3-174.113.700124.6
793R37.8Very low39.2Very low179 Ų179147.7 Ų147.768%0.67574%0.74SS**  -165132114.9-88.9-6884.1162.56.7107.8
794Q40.1Very low39.1Very low125 Ų125148.4 Ų148.458%0.58474%0.743SS**  53.2136.895.3-84.3-170-35.600115.7
795Q41.5Very low38.9Very low138 Ų138145.1 Ų145.165%0.64574%0.735SS**  cis-158.8-162.5-4.5-153.9151.6-104.400106.6
796Q42.4Very low38.7Very low128 Ų128144.9 Ų144.960%0.59874%0.739SS**  cis-167.1123.39.8-173157.7-6500114.5
797Q41.3Very low38.4Very low141 Ų141144.8 Ų144.866%0.65974%0.742SS**  trans62.3164.2150.3-63.9164.424.700118.5
798Q39.1Very low38.2Very low176 Ų176142.2 Ų142.282%0.82275%0.746SS**  cis-147.9-179.81.9-134.7156.421.600111.6
799A34.7Very low37.9Very low90 Ų90140.5 Ų140.574%0.74475%0.747SS**  trans-109.5-143.3-17500000111.1
800P42.4Very low37.5Very low110 Ų110135.3 Ų135.371%0.71475%0.745SS**  cis-145.1162.6-335.5-12.1000119.7
801Q40.4Very low37Very low172 Ų172134.2 Ų134.280%0.80474%0.743SS**  trans56.6177138.1-56.8-89-3.300121.5
802S32.9Very low36.4Very low81 Ų81134 Ų13457%0.56674%0.744SS**  -163.3171.8-64.965.70000113.1
803F32.3Very low36.1Very low181 Ų181133.7 Ų133.779%0.79475%0.748SS**  trans26.3129.2164.3-68.8-77.9000123.5
804Q39.8Very low36.1Very low197 Ų197128.7 Ų128.792%0.92175%0.752SS**  -167.5167.4113.1-107.1160.910700114.4
805T30.8Very low35.6Very low110 Ų110131.1 Ų131.168%0.67577%0.769SS**  trans-136140.3-168.8-56.50000111.3
806L37.1Very low35.4Very low178 Ų178130 Ų13093%0.93278%0.776SS**  trans-143.5155161.2-83.7-177.6000112.2
807I30.9Very low34.9Very low149 Ų149132.8 Ų132.876%0.76479%0.791SS**  trans-140128.5-174.4-57.7174.2000110.3V809I807-V809 HydrophobicContact CG2-CG2 4.36Å
808A35.1Very low34.7Very low95 Ų95132.9 Ų132.979%0.78580%0.795SS**  trans-158.8128.8158.200000107.1
809V31.9Very low34.7Very low141 Ų141130.8 Ų130.886%0.85579%0.789SS**  cis91.4110.734.3179.40000113.3I807I807-V809 HydrophobicContact CG2-CG2 4.36Å
810G32.2Very low34.9Very low82 Ų82132.1 Ų132.185%0.84579%0.79SS**  trans106.2137.9170.200000115.4
811G30.1Very low34.6Very low68 Ų68134.6 Ų134.670%0.70180%0.797SS**  cis162.191.5-13.300000116.4
812S35Very low34.3Very low116 Ų116131.1 Ų131.181%0.81180%0.797SS**  trans67.7169.8168.590.70000115.1
813N31.2Very low34.5Very low151 Ų151131 Ų13181%0.80781%0.809SS**  cis-156173.1-3.94458.7000109.9
814G36.6Very low34.6Very low74 Ų74127.1 Ų127.176%0.76381%0.811SS**  trans130.885.5158.700000118.1
815N30.9Very low34.6Very low176 Ų176122.2 Ų122.294%0.94180%0.798SS**  trans-94.9144.3165.4-99.30.6000111
816S36Very low35.1Very low113 Ų113120.8 Ų120.879%0.7979%0.789SS**  trans-155.9135.9154.6-167.20000111.6
817M32Very low35.1Very low188 Ų188115.5 Ų115.593%0.92678%0.778SS**  trans-148.7140.6176.9-137-169-167.900109.1
818L36.4Very low35.6Very low142 Ų142113.6 Ų113.674%0.74378%0.775SS**  trans-139.2122.7-174.8-73174000114
819I40.3Very low35.6Very low133 Ų133113.6 Ų113.668%0.68278%0.775SS**  trans58.7114.3139.5-50.3166.1000119.3
820P37.9Very low35.8Very low117 Ų117109.2 Ų109.276%0.7675%0.748SS**  trans-96151.4146.336-29.2000111.8
821N37.6Very low36.2Very low162 Ų162109.7 Ų109.787%0.86674%0.735SS**  trans-125.9156-176.6-160.9-9.8000112.3
822A34.1Very low36.6Very low99 Ų99108.6 Ų108.682%0.81872%0.719SS**  trans-116.2164.7-163.200000115.6
823G36.3Very low36.7Very low78 Ų78107.7 Ų107.780%0.80472%0.718SS**  trans-157.1145.4174.100000113.3
824A35.3Very low37.1Very low101 Ų101108.6 Ų108.684%0.83572%0.715SS**  trans-148.6158.3-167.200000115.8
825S39.2Very low37Very low93 Ų93112.3 Ų112.365%0.6571%0.713SS**  trans-162.7109.6167.6-171.50000109.6
826V40.5Very low37.3Very low81 Ų81109.8 Ų109.849%0.49170%0.704SS.*  70.3132.381.7176.70000113.9R156R156-V826 HydrophobicContact CB-CG2 3.4Å; R156-V826 VanDerWaalsContact CB-CG2 3.4Å; R156-V826 HydrophobicContact CG-CG2 4.25Å
827G36.9Very low37.3Very low67 Ų67108.6 Ų108.669%0.69170%0.7SS**  cis179.9176.4-0.900000112.6
828P42Very low38Very low108 Ų108105 Ų10570%0.70169%0.692SS**  trans-118169.3-156.441.2-32.2000118.2
829A35.2Very low38.3Very low95 Ų95103.7 Ų103.779%0.78569%0.691SS**  trans-128.4169.4179.300000112.9
830T35.5Very low38.1Very low49 Ų49105.5 Ų105.530%0.30170%0.697SS.*  trans-155.9163.4-139.833.10000113.6S161 S163 R164 S165S161-T830 WeakPolarHBondContact O-CG2 3.27Å; S163-T830 CarbonylContact C-O 3.51Å; S163-T830 WeakPolarHBondContact O-CB 3.33Å; S163-T830 PolarHBondContact O-OG1 3.08Å; R164-T830 CarbonylContact C-O 3.55Å; R164-T830 WeakPolarHBondContact CA-O 3.21Å; R164-T830 PolarHBondContact N-O 3.44Å; S165-T830 PolarHBondContact N-O 2.95Å; S165-T830 VanDerWaalsContact N-O 3.14Å
831V40.9Very low38.3Very low93 Ų93103.9 Ų103.956%0.56469%0.688SS**  trans-147.1176.3173.779.80000112.8R162 S163R162-V831 WeakPolarHBondContact CA-O 3.3Å; R162-V831 WeakPolarHBondContact CB-O 3.46Å; R162-V831 WeakPolarHBondContact CG-O 3.47Å; S163-V831 PolarHBondContact N-O 2.71Å; S163-V831 VanDerWaalsContact N-O 3.16Å
832A38.4Very low38.6Very low44 Ų44105.9 Ų105.936%0.36469%0.689SS.*  trans-157.1178.4-153.500000116.6R162 S163R162-A832 HydrophobicContact CB-CB 4.14Å; S163-A832 WeakPolarHBondContact OG-CB 3.42Å
833A37.6Very low38.8Very low97 Ų97110 Ų11080%0.80269%0.689SS**  trans69.1148.8165.900000118.4
834K40.5Very low38.8Very low171 Ų171109.9 Ų109.974%0.74369%0.687SS**  cis-168.9132.6-26.7-164.2-171165-177.90109.6
835E33.7Very low38.9Very low152 Ų152112.1 Ų112.171%0.7168%0.68SS**  trans52.2167.5150.1-76.8-17456.400122.7
836T37.2Very low39.3Very low123 Ų123117.9 Ų117.976%0.75569%0.693SS**  cis-150.6-172.1-9.6-108.70000111.5
837A36.2Very low39.3Very low87 Ų87122.1 Ų122.172%0.71971%0.705SS**  trans-99.5179.3-154.700000118.4
838P46.1Very low39.2Very low114 Ų114126.4 Ų126.474%0.7471%0.712SS**  trans-101.9-168.6-176.643.7-35.3000113.2
839P43Very low39.2Very low113 Ų113125.5 Ų125.573%0.73471%0.714SS**  -156.9-155.58536.1-10.4000116.4
840E36.3Very low39.5Very low172 Ų172126.4 Ų126.480%0.80471%0.706SS**  trans78.2152.6157-60.2-110.172.700119.9
841S41Very low39.7Very low82 Ų82128.1 Ų128.157%0.57373%0.725SS**  cis-167.4160.8-26.8-116.70000113.7
842K45.4Very low39.8Very low205 Ų205132.6 Ų132.689%0.89174%0.74SS**  trans63.5172.6167.3-60.3161.9-174.2170.60117.9
843K36.9Very low40.4Very low186 Ų186140 Ų14081%0.80976%0.764SS**  -165.2140.3-52.5177.7-175.3175.4-172.60107.3
844G36.6Very low40.9Very low74 Ų74144.4 Ų144.476%0.76377%0.765SS**  trans177.2138.8169.400000115.4
845E38.3Very low40.6Very low149 Ų149144.7 Ų144.770%0.69677%0.774SS**  trans-119148.8-175.6-6716057.900112.3
846K46.4Very low40.9Very low213 Ų213140.5 Ų140.593%0.92677%0.772SS**  trans-166.3166.2135-104.8158.2-173.8179.90111
847K41.9Very low41.4Very low171 Ų171141 Ų14174%0.74377%0.77SS**  trans-124.6171.2-155.2-52.8176.9178.11760113.6
848N34.4Very low41.8Very low156 Ų156140.6 Ų140.683%0.83477%0.767SS**  trans69.9157.3161-50.6-20000115.1
849A40.9Very low41.8Very low89 Ų89143.6 Ų143.674%0.73677%0.771SS**  cis-156.9176.3-33.700000104.5
850D42.9Very low42.2Very low114 Ų114148.7 Ų148.761%0.6178%0.776SS**  cis-173.9-150.723.7-154.2-52.6000107.1R270R270-D850 IonicContact CZ-OD1 3.78Å; R270-D850 IonicContact CZ-OD2 2.61Å; R270-D850 IonicContact NH1-OD1 3.44Å; R270-D850 PolarHBondContact NH1-OD1 3.26Å; R270-D850 IonicContact NH1-OD2 3.4Å; R270-D850 PolarHBondContact NH1-OD2 3.17Å; R270-D850 VanDerWaalsContact NH2-CG 3.31Å; R270-D850 IonicContact NH2-OD1 3.35Å; R270-D850 PolarHBondContact NH2-OD1 3.46Å; R270-D850 IonicContact NH2-OD2 2.61Å
851A39.5Very low42.8Very low86 Ų86150.1 Ų150.171%0.71177%0.774SS**  trans83.670.6158.400000118.9
852E43.4Very low43Very low187 Ų187152.3 Ų152.387%0.87478%0.779SS**  trans-71.3128.5156176-154.6136.100112.5
853K50.2Low43.1Very low200 Ų200146.9 Ų146.987%0.8777%0.772SS**  trans-168.6150.6144.6-138.2166-175.9171.40114
854K47.3Very low43.7Very low188 Ų188146.6 Ų146.682%0.81777%0.774SS**  trans102.678173.4-64.5-169.5175.1-174.40116.9
855N34.9Very low44.1Very low177 Ų177147 Ų14795%0.94777%0.77SS**  trans-116.5133.7146.2-69.4-51.4000107.2
856G40.2Very low44.2Very low65 Ų65146.9 Ų146.967%0.6777%0.769SS**  trans173.7-31.8-179.400000116.1A858G856-A858 PolarHBondContact O-N 2.88Å
857D46.8Very low44Very low132 Ų132141.4 Ų141.471%0.70676%0.764SS**THydrogen-bonded Turntrans-90.67.9-170-55.6-84.9000115.6
858A44.9Very low44.1Very low80 Ų80141.9 Ų141.966%0.66177%0.769SS**THydrogen-bonded Turntrans-80.6-32.3-173.100000114.1G856G856-A858 PolarHBondContact O-N 2.88Å
859E47.6Very low44.6Very low177 Ų177143 Ų14383%0.82777%0.769SS**G310 helixtrans-78.6-26.5-165-153.8162.510800113.6R861E859-R861 PolarHBondContact O-N 3.46Å; E859-R861 VanDerWaalsContact O-N 3.13Å
860R50.3Low44.7Very low220 Ų220147 Ų14783%0.8378%0.778SS**G310 helixtrans-77.35.7-173.3-153.7177.2-178-85.64.5114.8
861R50Low44.5Very low201 Ų201144.8 Ų144.876%0.75878%0.782SS**G310 helixtrans-109.7-6.8-176.7-69.1-176.5-179.71493.8115.1E859E859-R861 PolarHBondContact O-N 3.46Å; E859-R861 VanDerWaalsContact O-N 3.13Å
862N44.1Very low44.6Very low129 Ų129147.7 Ų147.769%0.6979%0.786SS**THydrogen-bonded Turntrans-92.810.5-177.3-66.8-22.1000114
863A47.7Very low44.5Very low90 Ų90146.8 Ų146.874%0.74478%0.779SS**THydrogen-bonded Turntrans-102.8-6.7-174.900000115.1
864E49.3Very low43.8Very low181 Ų181140.8 Ų140.885%0.84677%0.773SS**SBendtrans-117.611.2-174.2-80.9172.28300113.7
865A45.3Very low43.9Very low82 Ų82142.6 Ų142.668%0.67878%0.781SS**SBendtrans-114.1-19.6-175.800000115.3A867A865-A867 PolarHBondContact O-N 2.98Å
866E40.5Very low44.4Very low146 Ų146141 Ų14168%0.68277%0.766SS**  trans-96.269.2-175-54.4-154.4137.400111.3R291R291-E866 IonicContact CZ-OE2 3.05Å; R291-E866 IonicContact NH1-OE1 3.81Å; R291-E866 PolarHBondContact NH1-OE1 2.67Å; R291-E866 IonicContact NH1-OE2 2.74Å; R291-E866 PolarHBondContact NH1-OE2 2.84Å; R291-E866 IonicContact NH2-OE2 3.36Å; R291-E866 PolarHBondContact NH2-OE2 3.11Å
867A41.7Very low44.8Very low98 Ų98141.5 Ų141.581%0.8177%0.771SS**  trans-154.331-179.400000115.5A865A865-A867 PolarHBondContact O-N 2.98Å
868Q44.4Very low45.3Very low181 Ų181142.7 Ų142.785%0.84677%0.77SS**  trans-157.590.9174.3-167.8-179.4-55.400114.1
869E44.5Very low46.1Very low180 Ų180142.7 Ų142.784%0.84176%0.759SS**  -162.5170.6128.6-109166.6-161.500108.5
870D44.3Very low47.3Very low173 Ų173137 Ų13793%0.92574%0.738SS**  trans63.6130.1-152.1-57.4-31.7000113.9
871G37.2Very low48.9Very low67 Ų67133.4 Ų133.469%0.69173%0.729SS**  cis161.4133.1-2.500000109.6
872D41.2Very low50.3Low148 Ų148125.2 Ų125.279%0.79170%0.699SS**  trans65.5169.2-180-17137000116.8
873K42.1Very low52.2Low168 Ų168122 Ų12273%0.7368%0.682SS**  trans7580.8169.6-50.6-169.2-178.5174.10116.1
874G36.4Very low54.1Low73 Ų73124.2 Ų124.275%0.75368%0.675SS**THydrogen-bonded Turntrans-58.9177.4161.800000113.9K876G874-K876 VanDerWaalsContact C-N 3.3Å; G874-K876 PolarHBondContact O-N 3.47Å
875K49.6Very low55.8Low226 Ų226119.1 Ų119.198%0.98365%0.652SS**THydrogen-bonded Turntrans72.8-5.7-179.5-130.4173.4-173177.40117.2
876K44.5Very low57.9Low145 Ų145115.2 Ų115.263%0.6362%0.62SS**  trans-101.526.3179.7-146.7170.3-173.9171.10116.5G874 K878 D879G874-K876 VanDerWaalsContact C-N 3.3Å; G874-K876 PolarHBondContact O-N 3.47Å; K876-K878 PolarHBondContact O-N 3.29Å; K876-D879 WeakPolarHBondContact CE-OD2 3.44Å; K876-D879 HydrophobicContact CG-CB 4.38Å; K876-D879 WeakPolarHBondContact CG-OD2 3.47Å
877G48.8Very low60.2Low75 Ų75111.7 Ų111.777%0.77360%0.602SS**THydrogen-bonded Turntrans-72.2-18.4-173.300000116.6
878K56Low62.6Low156 Ų156111.1 Ų111.168%0.67859%0.588SS**THydrogen-bonded Turntrans-81.6-57.4-177.5-158.8168.1-174.8175.80110.7K876 S880 K881 Q882K876-K878 PolarHBondContact O-N 3.29Å; K878-S880 PolarHBondContact O-N 3.25Å; K878-K881 PolarHBondContact O-N 2.74Å; K878-Q882 PolarHBondContact O-OE1 2.89Å
879D61.8Low64.7Low80 Ų80104 Ų10443%0.42856%0.56SS.*Hα-helixtrans-50.3-32.7-170.5-47.6-9.5000114.5K876 K881 Q882 L883K876-D879 WeakPolarHBondContact CE-OD2 3.44Å; K876-D879 HydrophobicContact CG-CB 4.38Å; K876-D879 WeakPolarHBondContact CG-OD2 3.47Å; D879-K881 VanDerWaalsContact C-N 3.26Å; D879-K881 PolarHBondContact O-N 3.46Å; D879-Q882 PolarHBondContact O-N 2.89Å; D879-L883 VanDerWaalsContact O-CB 3.25Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 PolarHBondContact O-N 3.13Å
880S73.4Confident66.9Low57 Ų5795.4 Ų95.440%0.39952%0.52SS..Hα-helixtrans-57.5-37.4176.7-166.30000112.5K878 K884K878-S880 PolarHBondContact O-N 3.25Å; S880-K884 WeakPolarHBondContact O-CB 3.33Å; S880-K884 VanDerWaalsContact O-CD 3.24Å; S880-K884 WeakPolarHBondContact O-CD 3.41Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.08Å; S880-K884 VanDerWaalsContact O-N 3.16Å; S880-K884 PolarHBondContact OG-NZ 3.06Å
881K83.5Confident69.2Low145 Ų14587.9 Ų87.963%0.6348%0.482SS*.Hα-helixtrans-74.6-45.8178-171.2176-179.5-179.30111.1K878 D879 K884 M885K878-K881 PolarHBondContact O-N 2.74Å; D879-K881 VanDerWaalsContact C-N 3.26Å; D879-K881 PolarHBondContact O-N 3.46Å; K881-K884 PolarHBondContact O-N 3.25Å; K881-M885 WeakPolarHBondContact O-CG 3.2Å; K881-M885 PolarHBondContact O-N 3.47Å
882Q80.6Confident71.8Confident30 Ų3088.1 Ų88.114%0.1447%0.467CS..Hα-helixtrans-56.2-51.5175.2-88.163.916.800111.9K878 D879 K884 M885 F886 T930 P932K878-Q882 PolarHBondContact O-OE1 2.89Å; D879-Q882 PolarHBondContact O-N 2.89Å; Q882-K884 VanDerWaalsContact C-N 3.33Å; Q882-K884 PolarHBondContact O-N 3.48Å; Q882-M885 HydrophobicContact CG-CE 4.5Å; Q882-M885 PolarHBondContact O-N 2.97Å; Q882-F886 PolarHBondContact O-N 3.07Å; Q882-T930 HydrophobicContact CB-CG2 4.44Å; Q882-P932 HydrophobicContact CG-CB 4.01Å; Q882-P932 VanDerWaalsContact CG-O 3.25Å; Q882-P932 WeakPolarHBondContact CG-O 3.39Å; Q882-P932 PolarHBondContact NE2-O 3.28Å
883L83.3Confident74.1Confident62 Ų6282.9 Ų82.933%0.32544%0.437SS..Hα-helixtrans-65-34179.4-176.760.5000112.4D879 F886 K887 T924 T930D879-L883 VanDerWaalsContact O-CB 3.25Å; D879-L883 WeakPolarHBondContact O-CB 3.41Å; D879-L883 PolarHBondContact O-N 3.13Å; L883-F886 HydrophobicContact CD1-CD1 4.45Å; L883-K887 HydrophobicContact CD1-CG 4.35Å; L883-K887 WeakPolarHBondContact O-CB 3.43Å; L883-K887 WeakPolarHBondContact O-CG 3.29Å; L883-K887 PolarHBondContact O-N 2.82Å; L883-T924 HydrophobicContact CD1-CG2 4.26Å; L883-T930 HydrophobicContact CB-CG2 4.38Å; L883-T930 HydrophobicContact CD1-CG2 4.28Å
884K87.1Confident76.4Confident135 Ų13574.9 Ų74.959%0.58740%0.403SS*.Hα-helixtrans-65.2-45.5171.7-77.3165.7-176.4158.30111.6S880 K881 Q882 K887 V888S880-K884 WeakPolarHBondContact O-CB 3.33Å; S880-K884 VanDerWaalsContact O-CD 3.24Å; S880-K884 WeakPolarHBondContact O-CD 3.41Å; S880-K884 WeakPolarHBondContact O-CG 3.49Å; S880-K884 PolarHBondContact O-N 3.08Å; S880-K884 VanDerWaalsContact O-N 3.16Å; S880-K884 PolarHBondContact OG-NZ 3.06Å; K881-K884 PolarHBondContact O-N 3.25Å; Q882-K884 VanDerWaalsContact C-N 3.33Å; Q882-K884 PolarHBondContact O-N 3.48Å; K884-K887 PolarHBondContact O-N 3.16Å; K884-V888 WeakPolarHBondContact O-CG2 3.34Å; K884-V888 PolarHBondContact O-N 2.74Å
885M86.2Confident79Confident75 Ų7575.1 Ų75.137%0.36938%0.383SS..Hα-helixtrans-62.3-44.3175.6-66.4-175.6-55.100111.8K881 Q882 V888 A889 I937K881-M885 WeakPolarHBondContact O-CG 3.2Å; K881-M885 PolarHBondContact O-N 3.47Å; Q882-M885 HydrophobicContact CG-CE 4.5Å; Q882-M885 PolarHBondContact O-N 2.97Å; M885-V888 PolarHBondContact O-N 3.18Å; M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 2.89Å; M885-I937 HydrophobicContact CB-CD1 3.93Å
886F88.8Confident80.9Confident0 Ų069.3 Ų69.30%036%0.36CS..Hα-helixtrans-62.3-45.1176.5-176.6-123.1000112.1Q882 L883 V888 L890 V923 T924 V927 T930 P931 I937 Y940 M941Q882-F886 PolarHBondContact O-N 3.07Å; L883-F886 HydrophobicContact CD1-CD1 4.45Å; F886-V888 PolarHBondContact O-N 3.31Å; F886-L890 WeakPolarHBondContact O-CB 3.16Å; F886-L890 PolarHBondContact O-N 2.62Å; F886-V923 HydrophobicContact CZ-CG1 4.26Å; F886-T924 HydrophobicContact CD1-CG2 3.83Å; F886-T924 HydrophobicContact CE1-CG2 3.8Å; F886-V927 HydrophobicContact CE1-CB 4.25Å; F886-V927 HydrophobicContact CE1-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CB 4.4Å; F886-V927 HydrophobicContact CZ-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CG2 4.28Å; F886-T930 HydrophobicContact CB-CG2 4Å; F886-T930 HydrophobicContact CD1-CG2 4.13Å; F886-T930 HydrophobicContact CG-CG2 4.22Å; F886-P931 HydrophobicContact CD2-CG 3.72Å; F886-P931 HydrophobicContact CE2-CG 3.77Å; F886-P931 HydrophobicContact CG-CG 4.38Å; F886-P931 HydrophobicContact CZ-CG 4.47Å; F886-I937 HydrophobicContact CB-CD1 4.27Å; F886-I937 HydrophobicContact CB-CG1 4.36Å; F886-I937 HydrophobicContact CD2-CG1 4.13Å; F886-I937 HydrophobicContact CD2-CG2 4.15Å; F886-Y940 AromaticContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CE1 4.04Å; F886-Y940 HydrophobicContact CE2-CG 4.3Å; F886-Y940 HydrophobicContact CZ-CD1 4.12Å; F886-Y940 AromaticContact CZ-CE1 3.93Å; F886-Y940 HydrophobicContact CZ-CE1 3.93Å; F886-M941 HydrophobicContact CD2-CE 3.74Å; F886-M941 HydrophobicContact CE2-CE 3.48Å; F886-M941 VanDerWaalsContact CE2-CE 3.48Å; F886-M941 HydrophobicContact CZ-CE 4.43Å
887K90Very high82.9Confident72 Ų7263.5 Ų63.531%0.31334%0.339SS..Hα-helixtrans-63.3-36.7176-79.2-164.6175.8-149.80113L883 K884 A891 V920 D921 T924L883-K887 HydrophobicContact CD1-CG 4.35Å; L883-K887 WeakPolarHBondContact O-CB 3.43Å; L883-K887 WeakPolarHBondContact O-CG 3.29Å; L883-K887 PolarHBondContact O-N 2.82Å; K884-K887 PolarHBondContact O-N 3.16Å; K887-A891 WeakPolarHBondContact O-CB 3.21Å; K887-A891 PolarHBondContact O-N 3.08Å; K887-V920 HydrophobicContact CB-CG1 4.33Å; K887-V920 HydrophobicContact CD-CG1 4.2Å; K887-V920 HydrophobicContact CG-CG1 4Å; K887-D921 IonicContact NZ-OD1 3.5Å; K887-T924 HydrophobicContact CD-CG2 4.38Å; K887-T924 VanDerWaalsContact CE-OG1 3.28Å; K887-T924 WeakPolarHBondContact CE-OG1 3.46Å; K887-T924 HydrophobicContact CG-CG2 3.73Å; K887-T924 PolarHBondContact NZ-OG1 3.05Å
888V90.2Very high84.8Confident86 Ų8660 Ų6052%0.52130%0.302SS..Hα-helixtrans-68.1-54175.9170.80000110.8K884 M885 F886 L890 A891 D892K884-V888 WeakPolarHBondContact O-CG2 3.34Å; K884-V888 PolarHBondContact O-N 2.74Å; M885-V888 PolarHBondContact O-N 3.18Å; F886-V888 PolarHBondContact O-N 3.31Å; V888-L890 VanDerWaalsContact C-N 3.29Å; V888-L890 PolarHBondContact O-N 3.4Å; V888-A891 PolarHBondContact O-N 3.08Å; V888-D892 PolarHBondContact O-N 3.16Å
889A89Confident86.2Confident30 Ų3057.4 Ų57.425%0.24829%0.291CS..Hα-helixtrans-57.1-41.9179.900000112.4M885 D892 F893 I937 M941M885-A889 WeakPolarHBondContact O-CB 3.45Å; M885-A889 PolarHBondContact O-N 2.89Å; A889-D892 PolarHBondContact O-N 3.33Å; A889-F893 PolarHBondContact O-N 2.88Å; A889-I937 HydrophobicContact CB-CG2 3.62Å; A889-M941 HydrophobicContact CB-CE 4.43Å
890L91.4Very high87.2Confident0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-66.8-42.9175.1-177.365.9000112.5F886 V888 D892 F893 V894 V920 V923 T924 M941 L948F886-L890 WeakPolarHBondContact O-CB 3.16Å; F886-L890 PolarHBondContact O-N 2.62Å; V888-L890 VanDerWaalsContact C-N 3.29Å; V888-L890 PolarHBondContact O-N 3.4Å; L890-D892 VanDerWaalsContact C-N 3.27Å; L890-D892 PolarHBondContact O-N 2.84Å; L890-F893 PolarHBondContact O-N 3.19Å; L890-V894 HydrophobicContact CD1-CG2 4.46Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.21Å; L890-V894 PolarHBondContact O-N 3.45Å; L890-V920 HydrophobicContact CD2-CB 4.3Å; L890-V920 HydrophobicContact CD2-CG1 4.4Å; L890-V920 HydrophobicContact CD2-CG2 4.12Å; L890-V920 HydrophobicContact CG-CG2 4.09Å; L890-V923 HydrophobicContact CD1-CG1 4.27Å; L890-V923 HydrophobicContact CD2-CB 3.64Å; L890-V923 HydrophobicContact CD2-CG1 3.68Å; L890-V923 HydrophobicContact CD2-CG2 4.29Å; L890-T924 HydrophobicContact CD2-CG2 4.41Å; L890-M941 HydrophobicContact CB-CE 3.78Å; L890-M941 HydrophobicContact CD1-CE 4.08Å; L890-M941 HydrophobicContact CD1-SD 4.02Å; L890-L948 HydrophobicContact CD1-CD1 3.74Å; L890-L948 HydrophobicContact CD1-CD2 3.81Å; L890-L948 HydrophobicContact CD1-CG 4.46Å
891A91.9Very high87.6Confident16 Ų1655.5 Ų55.513%0.13228%0.281CS..Hα-helixtrans-63.7-35.3177.400000111.7K887 V888 K895 V916 V920K887-A891 WeakPolarHBondContact O-CB 3.21Å; K887-A891 PolarHBondContact O-N 3.08Å; V888-A891 PolarHBondContact O-N 3.08Å; A891-K895 WeakPolarHBondContact O-CD 3.14Å; A891-K895 WeakPolarHBondContact O-CE 3.48Å; A891-K895 WeakPolarHBondContact O-CG 3.38Å; A891-K895 PolarHBondContact O-N 2.71Å; A891-K895 VanDerWaalsContact O-N 3.1Å; A891-V916 HydrophobicContact CB-CG1 4.25Å; A891-V920 HydrophobicContact CB-CG2 3.9Å
892D91.9Very high87.6Confident71 Ų7153.6 Ų53.638%0.3827%0.27SS..Hα-helixtrans-70.7-45.8174.9-68.1-29.9000111.4V888 A889 L890 V894 K895 E896V888-D892 PolarHBondContact O-N 3.16Å; A889-D892 PolarHBondContact O-N 3.33Å; L890-D892 VanDerWaalsContact C-N 3.27Å; L890-D892 PolarHBondContact O-N 2.84Å; D892-V894 VanDerWaalsContact C-N 3.28Å; D892-V894 PolarHBondContact O-N 2.99Å; D892-K895 WeakPolarHBondContact O-CB 3.35Å; D892-K895 PolarHBondContact O-N 3.45Å; D892-K895 VanDerWaalsContact O-N 3.08Å; D892-K895 IonicContact OD1-NZ 3.7Å; D892-K895 PolarHBondContact OD1-NZ 3.42Å; D892-E896 WeakPolarHBondContact O-CG 3.12Å; D892-E896 PolarHBondContact O-N 3.36Å
893F89.2Confident87.5Confident38 Ų3860.3 Ų60.317%0.16730%0.299CS..Hα-helixtrans-52.2-46.3171.6179.7-79.6000112.1A889 L890 K895 E896 A897 M941 K945 L948A889-F893 PolarHBondContact O-N 2.88Å; L890-F893 PolarHBondContact O-N 3.19Å; F893-K895 VanDerWaalsContact C-N 3.35Å; F893-K895 PolarHBondContact O-N 2.98Å; F893-E896 PolarHBondContact O-N 2.92Å; F893-A897 HydrophobicContact CE1-CB 4.33Å; F893-A897 PolarHBondContact O-N 2.66Å; F893-M941 HydrophobicContact CB-SD 4.47Å; F893-K945 HydrophobicContact CE2-CB 4.12Å; F893-K945 HydrophobicContact CE2-CG 3.85Å; F893-K945 HydrophobicContact CZ-CB 4.18Å; F893-K945 HydrophobicContact CZ-CG 3.84Å; F893-L948 HydrophobicContact CD1-CB 4Å; F893-L948 HydrophobicContact CD1-CD1 3.62Å; F893-L948 HydrophobicContact CD1-CG 4.45Å; F893-L948 HydrophobicContact CE1-CB 3.4Å; F893-L948 HydrophobicContact CE1-CD1 3.73Å; F893-L948 HydrophobicContact CE1-CG 4.22Å; F893-L948 HydrophobicContact CG-CD1 4.1Å; F893-L948 HydrophobicContact CZ-CB 4.06Å; F893-L948 HydrophobicContact CZ-CD1 4.24Å
894V90.5Very high87.3Confident0 Ų061.8 Ų61.80%031%0.307CS..Hα-helixtrans-68.6-33-179.3176.60000111.9L890 D892 A897 L898 V916 V919 V952L890-V894 HydrophobicContact CD1-CG2 4.46Å; L890-V894 VanDerWaalsContact O-CG2 3.3Å; L890-V894 WeakPolarHBondContact O-CG2 3.21Å; L890-V894 PolarHBondContact O-N 3.45Å; D892-V894 VanDerWaalsContact C-N 3.28Å; D892-V894 PolarHBondContact O-N 2.99Å; V894-A897 PolarHBondContact O-N 3.21Å; V894-L898 HydrophobicContact CG1-CD1 3.91Å; V894-L898 HydrophobicContact CG1-CG 4.42Å; V894-L898 WeakPolarHBondContact O-CB 3.2Å; V894-L898 VanDerWaalsContact O-CG 3.23Å; V894-L898 WeakPolarHBondContact O-CG 3.43Å; V894-L898 PolarHBondContact O-N 2.94Å; V894-V916 HydrophobicContact CG1-CB 4.43Å; V894-V916 HydrophobicContact CG1-CG2 4.05Å; V894-V919 HydrophobicContact CG1-CB 4.24Å; V894-V919 HydrophobicContact CG1-CG1 4.46Å; V894-V919 HydrophobicContact CG1-CG2 4.45Å; V894-V919 HydrophobicContact CG2-CB 4.06Å; V894-V919 HydrophobicContact CG2-CG1 3.49Å; V894-V919 VanDerWaalsContact CG2-CG1 3.49Å; V894-V952 HydrophobicContact CG1-CG2 3.92Å; V894-V952 HydrophobicContact CG2-CG2 4.27Å
895K90.9Very high86.9Confident78 Ų7858.2 Ų58.234%0.33931%0.308SS..Hα-helixtrans-64-44.1170.6-68159.9-150160.50111.1A891 D892 F893 A897 L898 K899 V916A891-K895 WeakPolarHBondContact O-CD 3.14Å; A891-K895 WeakPolarHBondContact O-CE 3.48Å; A891-K895 WeakPolarHBondContact O-CG 3.38Å; A891-K895 PolarHBondContact O-N 2.71Å; A891-K895 VanDerWaalsContact O-N 3.1Å; D892-K895 WeakPolarHBondContact O-CB 3.35Å; D892-K895 PolarHBondContact O-N 3.45Å; D892-K895 VanDerWaalsContact O-N 3.08Å; D892-K895 IonicContact OD1-NZ 3.7Å; D892-K895 PolarHBondContact OD1-NZ 3.42Å; F893-K895 VanDerWaalsContact C-N 3.35Å; F893-K895 PolarHBondContact O-N 2.98Å; K895-A897 PolarHBondContact O-N 2.97Å; K895-L898 CarbonylContact O-C 3.57Å; K895-L898 PolarHBondContact O-N 3.03Å; K895-L898 VanDerWaalsContact O-N 3.15Å; K895-K899 WeakPolarHBondContact O-CG 3.43Å; K895-K899 PolarHBondContact O-N 3.08Å; K895-V916 HydrophobicContact CG-CG2 4.21Å
896E89.6Confident86.3Confident105 Ų10560.4 Ų60.449%0.49132%0.317SS..Hα-helixtrans-59.8-44.9176.1-63.2-53.712700111.6D892 F893 L898 K899D892-E896 WeakPolarHBondContact O-CG 3.12Å; D892-E896 PolarHBondContact O-N 3.36Å; F893-E896 PolarHBondContact O-N 2.92Å; E896-L898 PolarHBondContact O-N 3.12Å; E896-K899 VanDerWaalsContact CD-CE 3.5Å; E896-K899 WeakPolarHBondContact O-CB 2.99Å; E896-K899 PolarHBondContact O-N 3.31Å; E896-K899 WeakPolarHBondContact OE1-CE 3.49Å; E896-K899 IonicContact OE1-NZ 3.65Å; E896-K899 PolarHBondContact OE1-NZ 3.29Å; E896-K899 WeakPolarHBondContact OE2-CD 3.26Å; E896-K899 VanDerWaalsContact OE2-CE 3.26Å; E896-K899 WeakPolarHBondContact OE2-CE 3.38Å; E896-K899 IonicContact OE2-NZ 2.67Å; E896-K899 PolarHBondContact OE2-NZ 3.18Å
897A87.6Confident85.9Confident23 Ų2361.2 Ų61.219%0.1932%0.322CS..Hα-helixtrans-64.8-26175.800000113.6F893 V894 K895 V952F893-A897 HydrophobicContact CE1-CB 4.33Å; F893-A897 PolarHBondContact O-N 2.66Å; V894-A897 PolarHBondContact O-N 3.21Å; K895-A897 PolarHBondContact O-N 2.97Å; A897-V952 HydrophobicContact CB-CG1 4.23Å; A897-V952 HydrophobicContact CB-CG2 4.35Å
898L87.7Confident85.6Confident0 Ų060.6 Ų60.60%033%0.326CS..Hα-helixtrans-88.9-12.5175.1-70170.2000113.9V894 K895 E896 T901 W902 M907 I915 V916 V952 V956V894-L898 HydrophobicContact CG1-CD1 3.91Å; V894-L898 HydrophobicContact CG1-CG 4.42Å; V894-L898 WeakPolarHBondContact O-CB 3.2Å; V894-L898 VanDerWaalsContact O-CG 3.23Å; V894-L898 WeakPolarHBondContact O-CG 3.43Å; V894-L898 PolarHBondContact O-N 2.94Å; K895-L898 CarbonylContact O-C 3.57Å; K895-L898 PolarHBondContact O-N 3.03Å; K895-L898 VanDerWaalsContact O-N 3.15Å; E896-L898 PolarHBondContact O-N 3.12Å; L898-T901 PolarHBondContact O-N 3.24Å; L898-T901 PolarHBondContact O-OG1 3.31Å; L898-W902 WeakPolarHBondContact O-CB 3.47Å; L898-W902 PolarHBondContact O-N 3.39Å; L898-M907 HydrophobicContact CD2-CE 3.82Å; L898-M907 HydrophobicContact CD2-SD 4.02Å; L898-I915 HydrophobicContact CD1-CB 4.11Å; L898-I915 HydrophobicContact CD1-CG2 3.98Å; L898-I915 HydrophobicContact CD2-CD1 4.14Å; L898-I915 HydrophobicContact CD2-CG2 4.1Å; L898-V916 HydrophobicContact CD1-CG2 3.68Å; L898-V952 HydrophobicContact CD2-CG1 3.7Å; L898-V952 HydrophobicContact CG-CG1 4.05Å; L898-V956 HydrophobicContact CD2-CG2 3.64Å
899K85.8Confident85.4Confident102 Ų10264.2 Ų64.244%0.44333%0.331SS..Hα-helixtrans-54.2-43.2177.4-80.3-177.4-175.61690115.4K895 E896 K903K895-K899 WeakPolarHBondContact O-CG 3.43Å; K895-K899 PolarHBondContact O-N 3.08Å; E896-K899 VanDerWaalsContact CD-CE 3.5Å; E896-K899 WeakPolarHBondContact O-CB 2.99Å; E896-K899 PolarHBondContact O-N 3.31Å; E896-K899 WeakPolarHBondContact OE1-CE 3.49Å; E896-K899 IonicContact OE1-NZ 3.65Å; E896-K899 PolarHBondContact OE1-NZ 3.29Å; E896-K899 WeakPolarHBondContact OE2-CD 3.26Å; E896-K899 VanDerWaalsContact OE2-CE 3.26Å; E896-K899 WeakPolarHBondContact OE2-CE 3.38Å; E896-K899 IonicContact OE2-NZ 2.67Å; E896-K899 PolarHBondContact OE2-NZ 3.18Å; K899-K903 WeakPolarHBondContact O-CG 3.22Å; K899-K903 PolarHBondContact O-N 3.36Å; K899-K903 VanDerWaalsContact O-N 3.15Å
900P83.5Confident85.3Confident65 Ų6567.5 Ų67.542%0.42234%0.341SS..Hα-helixtrans-63.8-60.5175.622.3-31.2000110.3W902 K903 D904P900-W902 CarbonylContact O-C 3.46Å; P900-W902 PolarHBondContact O-N 3.16Å; P900-K903 WeakPolarHBondContact O-CA 3.31Å; P900-K903 WeakPolarHBondContact O-CB 3.06Å; P900-K903 PolarHBondContact O-N 2.92Å; P900-D904 PolarHBondContact O-N 2.89Å; P900-D904 VanDerWaalsContact O-OD1 3.12Å; P900-D904 VanDerWaalsContact O-OD2 3.06Å
901T80.5Confident85.2Confident33 Ų3368.1 Ų68.120%0.20234%0.344CS..Hα-helixtrans-60.9-18.1-177.654.50000114.7L898 D904 Q906 M907 V956L898-T901 PolarHBondContact O-N 3.24Å; L898-T901 PolarHBondContact O-OG1 3.31Å; T901-D904 PolarHBondContact N-OD2 2.91Å; T901-Q906 PolarHBondContact O-N 3.34Å; T901-M907 WeakPolarHBondContact OG1-CE 3.42Å; T901-V956 HydrophobicContact CG2-CG1 4.3Å
902W83.2Confident85.1Confident104 Ų10469.3 Ų69.339%0.39435%0.347SS..Hα-helixtrans-76.6-43.2166.5-179.6-92.6000114L898 P900 D904 G905 M907 R909 H912L898-W902 WeakPolarHBondContact O-CB 3.47Å; L898-W902 PolarHBondContact O-N 3.39Å; P900-W902 CarbonylContact O-C 3.46Å; P900-W902 PolarHBondContact O-N 3.16Å; W902-D904 VanDerWaalsContact C-N 3.33Å; W902-G905 PolarHBondContact O-N 2.79Å; W902-M907 HydrophobicContact CE3-CG 3.87Å; W902-M907 HydrophobicContact CE3-SD 4.43Å; W902-M907 HydrophobicContact CZ3-CG 4.27Å; W902-R909 HydrophobicContact CH2-CB 3.78Å; W902-R909 HydrophobicContact CZ3-CB 4.3Å; W902-H912 HydrophobicContact CE3-CB 3.77Å; W902-H912 AromaticContact CE3-CD2 3.95Å; W902-H912 HydrophobicContact CZ3-CB 3.77Å
903K79.8Confident85Confident172 Ų17271.4 Ų71.475%0.74835%0.353SS*.Hα-helixtrans-64.5-39.6175.4-75.5173.4173.6-171.70111.5K899 P900 G905K899-K903 WeakPolarHBondContact O-CG 3.22Å; K899-K903 PolarHBondContact O-N 3.36Å; K899-K903 VanDerWaalsContact O-N 3.15Å; P900-K903 WeakPolarHBondContact O-CA 3.31Å; P900-K903 WeakPolarHBondContact O-CB 3.06Å; P900-K903 PolarHBondContact O-N 2.92Å; K903-G905 PolarHBondContact O-N 2.94Å
904D77.6Confident85.1Confident92 Ų9272.1 Ų72.149%0.49236%0.361SS..THydrogen-bonded Turntrans-71.24.3-176.8-46.6-23.5000113P900 T901 W902 Q906P900-D904 PolarHBondContact O-N 2.89Å; P900-D904 VanDerWaalsContact O-OD1 3.12Å; P900-D904 VanDerWaalsContact O-OD2 3.06Å; T901-D904 PolarHBondContact N-OD2 2.91Å; W902-D904 VanDerWaalsContact C-N 3.33Å; D904-Q906 HydrophobicContact CB-CG 3.87Å; D904-Q906 PolarHBondContact O-N 2.97Å; D904-Q906 VanDerWaalsContact O-N 3.14Å; D904-Q906 PolarHBondContact O-NE2 2.79Å
905G79.6Confident85.1Confident60 Ų6072.1 Ų72.162%0.61936%0.361SS*.THydrogen-bonded Turntrans70.81.5-18000000115.3W902 K903 M907W902-G905 PolarHBondContact O-N 2.79Å; K903-G905 PolarHBondContact O-N 2.94Å; G905-M907 PolarHBondContact O-N 2.81Å
906Q73.5Confident85.2Confident121 Ų12169.4 Ų69.457%0.56535%0.35SS*.  trans-73.64-168-58.2-59.7-60.400114.9T901 D904 A960T901-Q906 PolarHBondContact O-N 3.34Å; D904-Q906 HydrophobicContact CB-CG 3.87Å; D904-Q906 PolarHBondContact O-N 2.97Å; D904-Q906 VanDerWaalsContact O-N 3.14Å; D904-Q906 PolarHBondContact O-NE2 2.79Å; Q906-A960 VanDerWaalsContact O-CB 3.23Å; Q906-A960 WeakPolarHBondContact O-CB 3.2Å
907M79.7Confident85.3Confident18 Ų1871 Ų719%0.08936%0.356CS..SBendtrans-156.1148.7176.564.7-174.968.300114.7L898 T901 W902 G905 V911 H912 I915 V956L898-M907 HydrophobicContact CD2-CE 3.82Å; L898-M907 HydrophobicContact CD2-SD 4.02Å; T901-M907 WeakPolarHBondContact OG1-CE 3.42Å; W902-M907 HydrophobicContact CE3-CG 3.87Å; W902-M907 HydrophobicContact CE3-SD 4.43Å; W902-M907 HydrophobicContact CZ3-CG 4.27Å; G905-M907 PolarHBondContact O-N 2.81Å; M907-V911 HydrophobicContact CB-CB 4.09Å; M907-V911 HydrophobicContact CB-CG1 3.65Å; M907-V911 HydrophobicContact SD-CG1 4.42Å; M907-H912 HydrophobicContact CG-CB 4.48Å; M907-H912 HydrophobicContact SD-CB 3.96Å; M907-I915 HydrophobicContact CE-CD1 4.17Å; M907-I915 HydrophobicContact SD-CD1 4.18Å; M907-V956 HydrophobicContact CE-CB 4.49Å; M907-V956 HydrophobicContact CE-CG1 4.01Å; M907-V956 HydrophobicContact CE-CG2 3.77Å
908S84Confident85.5Confident59 Ų5974.6 Ų74.641%0.41337%0.367SS..  trans-74.3160.2171.471.60000112.4E910 V911 H912S908-E910 PolarHBondContact O-N 2.84Å; S908-E910 VanDerWaalsContact O-N 3.16Å; S908-V911 PolarHBondContact O-N 3.34Å; S908-V911 VanDerWaalsContact O-N 3.16Å; S908-V911 WeakPolarHBondContact OG-CG2 3.36Å; S908-V911 PolarHBondContact OG-N 3.42Å; S908-V911 VanDerWaalsContact OG-N 3.14Å; S908-H912 PolarHBondContact O-N 2.7Å
909R86.4Confident85.7Confident161 Ų16174.6 Ų74.661%0.60837%0.367SS*.Hα-helixtrans-58.4-29.8176.9179.1-179.7-72.6166.2-1.8111.8W902 K913W902-R909 HydrophobicContact CH2-CB 3.78Å; W902-R909 HydrophobicContact CZ3-CB 4.3Å; R909-K913 WeakPolarHBondContact O-CD 3.29Å; R909-K913 VanDerWaalsContact O-CG 3.22Å; R909-K913 WeakPolarHBondContact O-CG 3.39Å; R909-K913 PolarHBondContact O-N 3.24Å; R909-K913 VanDerWaalsContact O-N 3.1Å
910E87.4Confident86Confident99 Ų9970.3 Ų70.346%0.46335%0.35SS..Hα-helixtrans-78.1-39.9-178.7-72.949.7-11100110.6S908 K913 T914S908-E910 PolarHBondContact O-N 2.84Å; S908-E910 VanDerWaalsContact O-N 3.16Å; E910-K913 IonicContact OE1-NZ 3.74Å; E910-K913 PolarHBondContact OE1-NZ 2.83Å; E910-T914 WeakPolarHBondContact O-CB 3.27Å; E910-T914 PolarHBondContact O-N 3.27Å; E910-T914 PolarHBondContact O-OG1 3.26Å
911V88.9Confident86.3Confident13 Ų1370.5 Ų70.58%0.07935%0.347CS..Hα-helixtrans-61.7-49.8168164.90000111M907 S908 K913 T914 I915 Y959M907-V911 HydrophobicContact CB-CB 4.09Å; M907-V911 HydrophobicContact CB-CG1 3.65Å; M907-V911 HydrophobicContact SD-CG1 4.42Å; S908-V911 PolarHBondContact O-N 3.34Å; S908-V911 VanDerWaalsContact O-N 3.16Å; S908-V911 WeakPolarHBondContact OG-CG2 3.36Å; S908-V911 PolarHBondContact OG-N 3.42Å; S908-V911 VanDerWaalsContact OG-N 3.14Å; V911-K913 PolarHBondContact O-N 3.31Å; V911-T914 CarbonylContact O-C 3.53Å; V911-T914 WeakPolarHBondContact O-CA 3.36Å; V911-T914 WeakPolarHBondContact O-CB 3.29Å; V911-T914 PolarHBondContact O-N 3.11Å; V911-I915 HydrophobicContact CG1-CD1 3.6Å; V911-I915 HydrophobicContact CG1-CG1 4.12Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.39Å; V911-Y959 VanDerWaalsContact CG2-O 3.28Å; V911-Y959 WeakPolarHBondContact CG2-O 3.41Å
912H89.4Confident86.8Confident41 Ų4173.7 Ų73.719%0.1936%0.358CS..Hα-helixtrans-55-49.6178.5172.9-77.6000111.9W902 M907 S908 T914 I915 V916W902-H912 HydrophobicContact CE3-CB 3.77Å; W902-H912 AromaticContact CE3-CD2 3.95Å; W902-H912 HydrophobicContact CZ3-CB 3.77Å; M907-H912 HydrophobicContact CG-CB 4.48Å; M907-H912 HydrophobicContact SD-CB 3.96Å; S908-H912 PolarHBondContact O-N 2.7Å; H912-T914 VanDerWaalsContact C-N 3.27Å; H912-T914 PolarHBondContact O-N 3.45Å; H912-I915 PolarHBondContact O-N 3.13Å; H912-V916 WeakPolarHBondContact O-CG2 3.49Å; H912-V916 PolarHBondContact O-N 3.37Å
913K90.8Very high87Confident116 Ų11669 Ų6950%0.50434%0.341SS..Hα-helixtrans-55.7-42.3173.5-71.6161.2-178165.90111.9R909 E910 V911 K917R909-K913 WeakPolarHBondContact O-CD 3.29Å; R909-K913 VanDerWaalsContact O-CG 3.22Å; R909-K913 WeakPolarHBondContact O-CG 3.39Å; R909-K913 PolarHBondContact O-N 3.24Å; R909-K913 VanDerWaalsContact O-N 3.1Å; E910-K913 IonicContact OE1-NZ 3.74Å; E910-K913 PolarHBondContact OE1-NZ 2.83Å; V911-K913 PolarHBondContact O-N 3.31Å; K913-K917 PolarHBondContact O-N 3.05Å
914T90.8Very high87.3Confident53 Ų5362 Ų6233%0.32531%0.313SS..Hα-helixtrans-68.1-43.8-177.9-60.20000111.7E910 V911 H912 K917 K918 Y959E910-T914 WeakPolarHBondContact O-CB 3.27Å; E910-T914 PolarHBondContact O-N 3.27Å; E910-T914 PolarHBondContact O-OG1 3.26Å; V911-T914 CarbonylContact O-C 3.53Å; V911-T914 WeakPolarHBondContact O-CA 3.36Å; V911-T914 WeakPolarHBondContact O-CB 3.29Å; V911-T914 PolarHBondContact O-N 3.11Å; H912-T914 VanDerWaalsContact C-N 3.27Å; H912-T914 PolarHBondContact O-N 3.45Å; T914-K917 PolarHBondContact O-N 3.04Å; T914-K918 HydrophobicContact CG2-CG 4.13Å; T914-K918 WeakPolarHBondContact O-CB 3.41Å; T914-K918 WeakPolarHBondContact O-CG 3.38Å; T914-K918 PolarHBondContact O-N 3.33Å; T914-Y959 HydrophobicContact CG2-CE1 4.12Å; T914-Y959 HydrophobicContact CG2-CE2 4.13Å
915I90.8Very high87.5Confident0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-63-48.7176.3-61168.7000110.2L898 M907 V911 H912 K917 K918 V919 V956 Y959L898-I915 HydrophobicContact CD1-CB 4.11Å; L898-I915 HydrophobicContact CD1-CG2 3.98Å; L898-I915 HydrophobicContact CD2-CD1 4.14Å; L898-I915 HydrophobicContact CD2-CG2 4.1Å; M907-I915 HydrophobicContact CE-CD1 4.17Å; M907-I915 HydrophobicContact SD-CD1 4.18Å; V911-I915 HydrophobicContact CG1-CD1 3.6Å; V911-I915 HydrophobicContact CG1-CG1 4.12Å; V911-I915 WeakPolarHBondContact O-CG1 3.4Å; V911-I915 PolarHBondContact O-N 3.39Å; H912-I915 PolarHBondContact O-N 3.13Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.31Å; I915-K918 PolarHBondContact O-N 3.22Å; I915-V919 HydrophobicContact CG2-CG2 4.03Å; I915-V919 WeakPolarHBondContact O-CB 3.43Å; I915-V919 WeakPolarHBondContact O-CG2 3.48Å; I915-V919 PolarHBondContact O-N 3.45Å; I915-V956 HydrophobicContact CD1-CG2 3.94Å; I915-Y959 HydrophobicContact CG1-CD2 3.82Å; I915-Y959 HydrophobicContact CG1-CG 4.45Å
916V92.4Very high87.6Confident20 Ų2062.5 Ų62.512%0.12131%0.31CS..Hα-helixtrans-54.2-49176.51750000110.7A891 V894 K895 L898 H912 V920A891-V916 HydrophobicContact CB-CG1 4.25Å; V894-V916 HydrophobicContact CG1-CB 4.43Å; V894-V916 HydrophobicContact CG1-CG2 4.05Å; K895-V916 HydrophobicContact CG-CG2 4.21Å; L898-V916 HydrophobicContact CD1-CG2 3.68Å; H912-V916 WeakPolarHBondContact O-CG2 3.49Å; H912-V916 PolarHBondContact O-N 3.37Å; V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.17Å; V916-V920 WeakPolarHBondContact O-CG2 3.14Å; V916-V920 PolarHBondContact O-N 3.31Å
917K92.4Very high87.8Confident138 Ų13857.6 Ų57.660%0.629%0.289SS*.Hα-helixtrans-62.5-49.9178-177.2173.4179.8179.20112.1K913 T914 I915 V919 V920 D921K913-K917 PolarHBondContact O-N 3.05Å; T914-K917 PolarHBondContact O-N 3.04Å; I915-K917 VanDerWaalsContact C-N 3.32Å; I915-K917 PolarHBondContact O-N 3.31Å; K917-V919 PolarHBondContact O-N 3.23Å; K917-V920 PolarHBondContact O-N 3.31Å; K917-D921 WeakPolarHBondContact CE-OD2 3.48Å; K917-D921 VanDerWaalsContact CG-OD2 3.26Å; K917-D921 WeakPolarHBondContact CG-OD2 3.39Å; K917-D921 WeakPolarHBondContact O-CB 3.34Å; K917-D921 PolarHBondContact O-N 3.29Å
918K91.9Very high87Confident99 Ų9965.3 Ų65.343%0.4332%0.324SS..Hα-helixtrans-62.2-39.5-177-72.2-72.1-175.3177.90112.3T914 I915 K922 Y955 Y959T914-K918 HydrophobicContact CG2-CG 4.13Å; T914-K918 WeakPolarHBondContact O-CB 3.41Å; T914-K918 WeakPolarHBondContact O-CG 3.38Å; T914-K918 PolarHBondContact O-N 3.33Å; I915-K918 PolarHBondContact O-N 3.22Å; K918-K922 WeakPolarHBondContact O-CB 3.26Å; K918-K922 PolarHBondContact O-N 3.16Å; K918-Y955 HydrophobicContact CB-CE1 4.09Å; K918-Y955 HydrophobicContact CB-CE2 4.41Å; K918-Y959 HydrophobicContact CG-CE2 4.38Å
919V92Very high85.9Confident0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-69.8-45.7176.2178.20000111V894 I915 K917 K922 V923 L951 V952 Y955V894-V919 HydrophobicContact CG1-CB 4.24Å; V894-V919 HydrophobicContact CG1-CG1 4.46Å; V894-V919 HydrophobicContact CG1-CG2 4.45Å; V894-V919 HydrophobicContact CG2-CB 4.06Å; V894-V919 HydrophobicContact CG2-CG1 3.49Å; V894-V919 VanDerWaalsContact CG2-CG1 3.49Å; I915-V919 HydrophobicContact CG2-CG2 4.03Å; I915-V919 WeakPolarHBondContact O-CB 3.43Å; I915-V919 WeakPolarHBondContact O-CG2 3.48Å; I915-V919 PolarHBondContact O-N 3.45Å; K917-V919 PolarHBondContact O-N 3.23Å; V919-K922 PolarHBondContact O-N 3.36Å; V919-V923 HydrophobicContact CG1-CG2 4.21Å; V919-V923 WeakPolarHBondContact O-CB 3.34Å; V919-V923 VanDerWaalsContact O-CG2 3.31Å; V919-V923 WeakPolarHBondContact O-CG2 3.28Å; V919-V923 PolarHBondContact O-N 3.47Å; V919-L951 HydrophobicContact CG1-CD2 4.07Å; V919-L951 HydrophobicContact CG2-CG 4.44Å; V919-V952 HydrophobicContact CG1-CG2 4.38Å; V919-V952 HydrophobicContact CG2-CG2 4.11Å; V919-Y955 HydrophobicContact CG2-CD2 3.53Å; V919-Y955 HydrophobicContact CG2-CE2 3.96Å; V919-Y955 HydrophobicContact CG2-CG 4.45Å
920V91.7Very high85Confident13 Ų1361.3 Ų61.38%0.07931%0.312CS..Hα-helixtrans-62.1-46.8178.5170.50000111.5K887 L890 A891 V916 K917 T924K887-V920 HydrophobicContact CB-CG1 4.33Å; K887-V920 HydrophobicContact CD-CG1 4.2Å; K887-V920 HydrophobicContact CG-CG1 4Å; L890-V920 HydrophobicContact CD2-CB 4.3Å; L890-V920 HydrophobicContact CD2-CG1 4.4Å; L890-V920 HydrophobicContact CD2-CG2 4.12Å; L890-V920 HydrophobicContact CG-CG2 4.09Å; A891-V920 HydrophobicContact CB-CG2 3.9Å; V916-V920 HydrophobicContact CG1-CG2 4.46Å; V916-V920 WeakPolarHBondContact O-CB 3.17Å; V916-V920 WeakPolarHBondContact O-CG2 3.14Å; V916-V920 PolarHBondContact O-N 3.31Å; K917-V920 PolarHBondContact O-N 3.31Å; V920-T924 WeakPolarHBondContact O-CB 3.41Å; V920-T924 WeakPolarHBondContact O-CG2 3.39Å; V920-T924 PolarHBondContact O-N 2.91Å; V920-T924 PolarHBondContact O-OG1 2.96Å
921D89.9Confident84.1Confident68 Ų6856.9 Ų56.936%0.36429%0.292SS..Hα-helixtrans-66.6-39.5177.6-70.6-24.5000111.2K887 K917 S925K887-D921 IonicContact NZ-OD1 3.5Å; K917-D921 WeakPolarHBondContact CE-OD2 3.48Å; K917-D921 VanDerWaalsContact CG-OD2 3.26Å; K917-D921 WeakPolarHBondContact CG-OD2 3.39Å; K917-D921 WeakPolarHBondContact O-CB 3.34Å; K917-D921 PolarHBondContact O-N 3.29Å; D921-S925 WeakPolarHBondContact O-CB 3.33Å; D921-S925 PolarHBondContact O-N 2.92Å; D921-S925 PolarHBondContact O-OG 2.88Å
922K90Very high83Confident100 Ų10059 Ų5944%0.43531%0.306SS..Hα-helixtrans-64.1-51.1177-177.257.2177.4172.20112.1K918 V919 S925 T926 L951K918-K922 WeakPolarHBondContact O-CB 3.26Å; K918-K922 PolarHBondContact O-N 3.16Å; V919-K922 PolarHBondContact O-N 3.36Å; K922-S925 PolarHBondContact O-N 3.41Å; K922-S925 PolarHBondContact O-OG 2.81Å; K922-T926 HydrophobicContact CD-CG2 4.49Å; K922-T926 PolarHBondContact O-N 3.3Å; K922-T926 VanDerWaalsContact O-N 3.12Å; K922-T926 PolarHBondContact O-OG1 3.05Å; K922-L951 HydrophobicContact CG-CD2 4.42Å
923V88.1Confident82.3Confident5 Ų559.7 Ų59.73%0.0331%0.313CS..Hα-helixtrans-64.5-42.7-179.8173.80000111.1F886 L890 V919 S925 T926 V927 Y940 L948 L951F886-V923 HydrophobicContact CZ-CG1 4.26Å; L890-V923 HydrophobicContact CD1-CG1 4.27Å; L890-V923 HydrophobicContact CD2-CB 3.64Å; L890-V923 HydrophobicContact CD2-CG1 3.68Å; L890-V923 HydrophobicContact CD2-CG2 4.29Å; V919-V923 HydrophobicContact CG1-CG2 4.21Å; V919-V923 WeakPolarHBondContact O-CB 3.34Å; V919-V923 VanDerWaalsContact O-CG2 3.31Å; V919-V923 WeakPolarHBondContact O-CG2 3.28Å; V919-V923 PolarHBondContact O-N 3.47Å; V923-S925 VanDerWaalsContact C-N 3.26Å; V923-S925 PolarHBondContact O-N 2.92Å; V923-T926 WeakPolarHBondContact CA-OG1 3.31Å; V923-T926 PolarHBondContact O-N 3.39Å; V923-T926 VanDerWaalsContact O-N 3.08Å; V923-T926 PolarHBondContact O-OG1 3.09Å; V923-V927 HydrophobicContact CG1-CG2 4.18Å; V923-V927 WeakPolarHBondContact O-CG2 3.33Å; V923-V927 PolarHBondContact O-N 3.12Å; V923-Y940 HydrophobicContact CG1-CE1 4.3Å; V923-L948 HydrophobicContact CG1-CD2 4.49Å; V923-L948 HydrophobicContact CG2-CD2 3.57Å; V923-L951 HydrophobicContact CG2-CD2 3.94Å
924T86.2Confident81.7Confident26 Ų2661.1 Ų61.116%0.1632%0.319CS..Hα-helixtrans-70.6-18.5176.457.10000114.2L883 F886 K887 L890 V920L883-T924 HydrophobicContact CD1-CG2 4.26Å; F886-T924 HydrophobicContact CD1-CG2 3.83Å; F886-T924 HydrophobicContact CE1-CG2 3.8Å; K887-T924 HydrophobicContact CD-CG2 4.38Å; K887-T924 VanDerWaalsContact CE-OG1 3.28Å; K887-T924 WeakPolarHBondContact CE-OG1 3.46Å; K887-T924 HydrophobicContact CG-CG2 3.73Å; K887-T924 PolarHBondContact NZ-OG1 3.05Å; L890-T924 HydrophobicContact CD2-CG2 4.41Å; V920-T924 WeakPolarHBondContact O-CB 3.41Å; V920-T924 WeakPolarHBondContact O-CG2 3.39Å; V920-T924 PolarHBondContact O-N 2.91Å; V920-T924 PolarHBondContact O-OG1 2.96Å
925S81.5Confident81.3Confident81 Ų8164.9 Ų64.957%0.56633%0.333SS*.Hα-helixtrans-78.2-25.9167.174.30000113.7D921 K922 V923D921-S925 WeakPolarHBondContact O-CB 3.33Å; D921-S925 PolarHBondContact O-N 2.92Å; D921-S925 PolarHBondContact O-OG 2.88Å; K922-S925 PolarHBondContact O-N 3.41Å; K922-S925 PolarHBondContact O-OG 2.81Å; V923-S925 VanDerWaalsContact C-N 3.26Å; V923-S925 PolarHBondContact O-N 2.92Å
926T81.6Confident80.8Confident81 Ų8169.6 Ų69.650%0.49735%0.354SS..Hα-helixtrans-93.8-13.6-179.750.20000114.4K922 V923K922-T926 HydrophobicContact CD-CG2 4.49Å; K922-T926 PolarHBondContact O-N 3.3Å; K922-T926 VanDerWaalsContact O-N 3.12Å; K922-T926 PolarHBondContact O-OG1 3.05Å; V923-T926 WeakPolarHBondContact CA-OG1 3.31Å; V923-T926 PolarHBondContact O-N 3.39Å; V923-T926 VanDerWaalsContact O-N 3.08Å; V923-T926 PolarHBondContact O-OG1 3.09Å
927V77.8Confident80.4Confident19 Ų1968.9 Ų68.912%0.11535%0.349CS..  trans-102.879.4179.8179.10000108.9F886 V923 N929 Y940F886-V927 HydrophobicContact CE1-CB 4.25Å; F886-V927 HydrophobicContact CE1-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CB 4.4Å; F886-V927 HydrophobicContact CZ-CG1 4.2Å; F886-V927 HydrophobicContact CZ-CG2 4.28Å; V923-V927 HydrophobicContact CG1-CG2 4.18Å; V923-V927 WeakPolarHBondContact O-CG2 3.33Å; V923-V927 PolarHBondContact O-N 3.12Å; V927-N929 VanDerWaalsContact CG1-O 3.31Å; V927-N929 WeakPolarHBondContact CG1-O 3.38Å; V927-N929 PolarHBondContact O-N 2.96Å; V927-Y940 HydrophobicContact CG2-CE2 4.04Å; V927-Y940 VanDerWaalsContact CG2-OH 3.26Å; V927-Y940 WeakPolarHBondContact CG2-OH 3.44Å
928E63.2Low80Confident179 Ų17965.4 Ų65.484%0.83634%0.337SS*.SBendtrans-56.8-36.5178.6-59.8-175.1143.400112.1
929N61.6Low79.7Confident94 Ų9465.2 Ų65.250%0.50334%0.344SS..SBendtrans-101.689.4176.1-75-87.7000110.2W765 V927W765-N929 HydrophobicContact CG-CB 4.48Å; W765-N929 VanDerWaalsContact NE1-CB 3.31Å; V927-N929 VanDerWaalsContact CG1-O 3.31Å; V927-N929 WeakPolarHBondContact CG1-O 3.38Å; V927-N929 PolarHBondContact O-N 2.96Å
930T67.6Low79.4Confident43 Ų4368.4 Ų68.426%0.26436%0.357SS..  trans-61.3124.9177-64.60000110.9Q882 L883 F886 P932Q882-T930 HydrophobicContact CB-CG2 4.44Å; L883-T930 HydrophobicContact CB-CG2 4.38Å; L883-T930 HydrophobicContact CD1-CG2 4.28Å; F886-T930 HydrophobicContact CB-CG2 4Å; F886-T930 HydrophobicContact CD1-CG2 4.13Å; F886-T930 HydrophobicContact CG-CG2 4.22Å; T930-P932 WeakPolarHBondContact O-CD 3.3Å
931P67.5Low79.1Confident5 Ų568.6 Ų68.63%0.03236%0.357CS..  trans-60.5122.8-178.819.6-30.1000111.6F886 K936 I937F886-P931 HydrophobicContact CD2-CG 3.72Å; F886-P931 HydrophobicContact CE2-CG 3.77Å; F886-P931 HydrophobicContact CG-CG 4.38Å; F886-P931 HydrophobicContact CZ-CG 4.47Å; P931-K936 HydrophobicContact CB-CB 3.79Å; P931-I937 HydrophobicContact CB-CG1 4.2Å; P931-I937 HydrophobicContact CG-CG1 3.9Å
932P66.7Low78.9Confident59 Ų5970.2 Ų70.238%0.38337%0.37SS..  trans-90.9-4-162.233.9-37.6000116.2Q882 T930Q882-P932 HydrophobicContact CG-CB 4.01Å; Q882-P932 VanDerWaalsContact CG-O 3.25Å; Q882-P932 WeakPolarHBondContact CG-O 3.39Å; Q882-P932 PolarHBondContact NE2-O 3.28Å; T930-P932 WeakPolarHBondContact O-CD 3.3Å
933T74.1Confident78.6Confident55 Ų5573 Ų7334%0.33738%0.379SS..SBendtrans-125.7159.1176.471.20000110.6E935 K936 I937T933-E935 PolarHBondContact O-N 3.25Å; T933-E935 PolarHBondContact OG1-OE2 3.38Å; T933-E935 VanDerWaalsContact OG1-OE2 3.13Å; T933-K936 PolarHBondContact O-N 3.38Å; T933-K936 WeakPolarHBondContact OG1-CG 3.28Å; T933-K936 PolarHBondContact OG1-N 3.32Å; T933-I937 WeakPolarHBondContact O-CG1 3.49Å; T933-I937 PolarHBondContact O-N 3.34Å
934K78.6Confident78.5Confident145 Ų14573 Ų7363%0.6338%0.379SS*.Hα-helixtrans-59.4-45.4179-167.1-158.1168.8-156.50111.1K936 I937 D938K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.8Å; K934-I937 WeakPolarHBondContact O-CA 3.15Å; K934-I937 WeakPolarHBondContact O-CB 3.2Å; K934-I937 PolarHBondContact O-N 3.47Å; K934-D938 VanDerWaalsContact CE-OD2 3.29Å; K934-D938 WeakPolarHBondContact CE-OD2 3.38Å; K934-D938 IonicContact NZ-OD2 3.57Å; K934-D938 PolarHBondContact O-N 3.36Å
935E81.8Confident78.5Confident132 Ų13277.6 Ų77.662%0.61740%0.396SS*.Hα-helixtrans-61.4-38.2178.6-48.4100.5-177.200112T933 I937 D938 V939T933-E935 PolarHBondContact O-N 3.25Å; T933-E935 PolarHBondContact OG1-OE2 3.38Å; T933-E935 VanDerWaalsContact OG1-OE2 3.13Å; E935-I937 VanDerWaalsContact C-N 3.31Å; E935-I937 PolarHBondContact O-N 3.11Å; E935-D938 PolarHBondContact O-N 3.11Å; E935-V939 WeakPolarHBondContact O-CB 3.42Å; E935-V939 VanDerWaalsContact O-CG2 3.28Å; E935-V939 WeakPolarHBondContact O-CG2 3.49Å; E935-V939 PolarHBondContact O-N 3.28Å
936K80.2Confident78.8Confident100 Ų10079.3 Ų79.344%0.43540%0.396SS..Hα-helixtrans-69.7-27.4176.9-70.8-176.9175.8-1690112.8W765 P931 T933 K934 Y940W765-K936 HydrophobicContact CH2-CD 4.44Å; P931-K936 HydrophobicContact CB-CB 3.79Å; T933-K936 PolarHBondContact O-N 3.38Å; T933-K936 WeakPolarHBondContact OG1-CG 3.28Å; T933-K936 PolarHBondContact OG1-N 3.32Å; K934-K936 VanDerWaalsContact C-N 3.29Å; K934-K936 PolarHBondContact O-N 2.8Å; K936-Y940 WeakPolarHBondContact O-CB 3.49Å; K936-Y940 PolarHBondContact O-N 2.88Å
937I84.6Confident79Confident4 Ų480.3 Ų80.32%0.02139%0.393CS..Hα-helixtrans-69.1-49.7168.5-66.7163.7000109.3M885 F886 A889 P931 T933 K934 E935 V939 Y940 M941M885-I937 HydrophobicContact CB-CD1 3.93Å; F886-I937 HydrophobicContact CB-CD1 4.27Å; F886-I937 HydrophobicContact CB-CG1 4.36Å; F886-I937 HydrophobicContact CD2-CG1 4.13Å; F886-I937 HydrophobicContact CD2-CG2 4.15Å; A889-I937 HydrophobicContact CB-CG2 3.62Å; P931-I937 HydrophobicContact CB-CG1 4.2Å; P931-I937 HydrophobicContact CG-CG1 3.9Å; T933-I937 WeakPolarHBondContact O-CG1 3.49Å; T933-I937 PolarHBondContact O-N 3.34Å; K934-I937 WeakPolarHBondContact O-CA 3.15Å; K934-I937 WeakPolarHBondContact O-CB 3.2Å; K934-I937 PolarHBondContact O-N 3.47Å; E935-I937 VanDerWaalsContact C-N 3.31Å; E935-I937 PolarHBondContact O-N 3.11Å; I937-V939 PolarHBondContact O-N 2.79Å; I937-Y940 WeakPolarHBondContact O-CB 3.2Å; I937-Y940 PolarHBondContact O-N 3.32Å; I937-Y940 VanDerWaalsContact O-N 3.13Å; I937-M941 HydrophobicContact CG2-CE 4.07Å; I937-M941 HydrophobicContact CG2-CG 4.47Å; I937-M941 WeakPolarHBondContact O-CG 3.35Å; I937-M941 PolarHBondContact O-N 2.81Å
938D83.8Confident79.6Confident66 Ų6679.6 Ų79.635%0.35339%0.388SS..Hα-helixtrans-64.7-41.8-176.1-63.9-23.7000111.7K934 E935 M941 T942K934-D938 VanDerWaalsContact CE-OD2 3.29Å; K934-D938 WeakPolarHBondContact CE-OD2 3.38Å; K934-D938 IonicContact NZ-OD2 3.57Å; K934-D938 PolarHBondContact O-N 3.36Å; E935-D938 PolarHBondContact O-N 3.11Å; D938-M941 PolarHBondContact O-N 2.8Å; D938-M941 VanDerWaalsContact O-N 3.16Å; D938-T942 PolarHBondContact O-N 2.97Å; D938-T942 PolarHBondContact O-OG1 3.44Å
939V85.5Confident80.8Confident95 Ų9573.7 Ų73.758%0.57636%0.363SS*.Hα-helixtrans-64.1-36.6172170.40000112.1E935 I937 T942 Y943E935-V939 WeakPolarHBondContact O-CB 3.42Å; E935-V939 VanDerWaalsContact O-CG2 3.28Å; E935-V939 WeakPolarHBondContact O-CG2 3.49Å; E935-V939 PolarHBondContact O-N 3.28Å; I937-V939 PolarHBondContact O-N 2.79Å; V939-T942 PolarHBondContact O-OG1 2.91Å; V939-T942 VanDerWaalsContact O-OG1 3.06Å; V939-Y943 WeakPolarHBondContact O-CB 3.37Å; V939-Y943 PolarHBondContact O-N 3.24Å
940Y85.6Confident82.1Confident67 Ų6775 Ų7526%0.26336%0.364SS..Hα-helixtrans-64.7-41.7171.6-178.1-83.8000110.9F886 V923 V927 K936 I937 S944F886-Y940 AromaticContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CD1 3.75Å; F886-Y940 HydrophobicContact CE2-CE1 4.04Å; F886-Y940 HydrophobicContact CE2-CG 4.3Å; F886-Y940 HydrophobicContact CZ-CD1 4.12Å; F886-Y940 AromaticContact CZ-CE1 3.93Å; F886-Y940 HydrophobicContact CZ-CE1 3.93Å; V923-Y940 HydrophobicContact CG1-CE1 4.3Å; V927-Y940 HydrophobicContact CG2-CE2 4.04Å; V927-Y940 VanDerWaalsContact CG2-OH 3.26Å; V927-Y940 WeakPolarHBondContact CG2-OH 3.44Å; K936-Y940 WeakPolarHBondContact O-CB 3.49Å; K936-Y940 PolarHBondContact O-N 2.88Å; I937-Y940 WeakPolarHBondContact O-CB 3.2Å; I937-Y940 PolarHBondContact O-N 3.32Å; I937-Y940 VanDerWaalsContact O-N 3.13Å; Y940-S944 WeakPolarHBondContact CD1-OG 3.39Å; Y940-S944 WeakPolarHBondContact CE1-OG 3.46Å; Y940-S944 WeakPolarHBondContact O-CB 3.39Å; Y940-S944 PolarHBondContact O-N 2.8Å; Y940-S944 PolarHBondContact O-OG 3.17Å
941M86.2Confident83.1Confident17 Ų1775.3 Ų75.38%0.08436%0.364CS..Hα-helixtrans-66.7-36.1178.8-63.8-53.9154.200112.7F886 A889 L890 F893 I937 D938 K945 L948F886-M941 HydrophobicContact CD2-CE 3.74Å; F886-M941 HydrophobicContact CE2-CE 3.48Å; F886-M941 VanDerWaalsContact CE2-CE 3.48Å; F886-M941 HydrophobicContact CZ-CE 4.43Å; A889-M941 HydrophobicContact CB-CE 4.43Å; L890-M941 HydrophobicContact CB-CE 3.78Å; L890-M941 HydrophobicContact CD1-CE 4.08Å; L890-M941 HydrophobicContact CD1-SD 4.02Å; F893-M941 HydrophobicContact CB-SD 4.47Å; I937-M941 HydrophobicContact CG2-CE 4.07Å; I937-M941 HydrophobicContact CG2-CG 4.47Å; I937-M941 WeakPolarHBondContact O-CG 3.35Å; I937-M941 PolarHBondContact O-N 2.81Å; D938-M941 PolarHBondContact O-N 2.8Å; D938-M941 VanDerWaalsContact O-N 3.16Å; M941-K945 WeakPolarHBondContact O-CA 3.33Å; M941-K945 WeakPolarHBondContact O-CB 3.24Å; M941-K945 PolarHBondContact O-N 3.32Å; M941-L948 HydrophobicContact SD-CD1 4.01Å
942T85.6Confident84.2Confident102 Ų10275.3 Ų75.363%0.62636%0.364SS*.Hα-helixtrans-70.1-48.6175.255.40000111.8D938 V939 S944 K945D938-T942 PolarHBondContact O-N 2.97Å; D938-T942 PolarHBondContact O-OG1 3.44Å; V939-T942 PolarHBondContact O-OG1 2.91Å; V939-T942 VanDerWaalsContact O-OG1 3.06Å; T942-S944 PolarHBondContact O-N 3.26Å; T942-K945 VanDerWaalsContact O-CB 3.29Å; T942-K945 WeakPolarHBondContact O-CB 3.42Å; T942-K945 PolarHBondContact O-N 2.89Å
943Y84Confident85.1Confident159 Ų15978.9 Ų78.962%0.62438%0.375SS*.Hα-helixtrans-68.6-32.4179.6-175.8-106.9000113.3V939V939-Y943 WeakPolarHBondContact O-CB 3.37Å; V939-Y943 PolarHBondContact O-N 3.24Å
944S84.4Confident85.8Confident5 Ų578.6 Ų78.64%0.03538%0.378CS..Hα-helixtrans-89.4-5.217770.50000114.3Y940 T942 E946 K947 L948Y940-S944 WeakPolarHBondContact CD1-OG 3.39Å; Y940-S944 WeakPolarHBondContact CE1-OG 3.46Å; Y940-S944 WeakPolarHBondContact O-CB 3.39Å; Y940-S944 PolarHBondContact O-N 2.8Å; Y940-S944 PolarHBondContact O-OG 3.17Å; T942-S944 PolarHBondContact O-N 3.26Å; S944-E946 PolarHBondContact O-N 3.12Å; S944-E946 VanDerWaalsContact O-N 3.07Å; S944-K947 CarbonylContact O-C 3.54Å; S944-K947 WeakPolarHBondContact O-CA 3.25Å; S944-K947 WeakPolarHBondContact O-CB 3.37Å; S944-K947 PolarHBondContact O-N 2.83Å; S944-L948 WeakPolarHBondContact O-CG 3.31Å; S944-L948 PolarHBondContact O-N 3.19Å; S944-L948 WeakPolarHBondContact OG-CD1 3.22Å
945K86.5Confident86.3Confident121 Ų12173.8 Ų73.853%0.52636%0.356SS..Hα-helixtrans-43.9-47.5-177.2179.1171.2-176.2-178.30113.4F893 M941 T942 N949F893-K945 HydrophobicContact CE2-CB 4.12Å; F893-K945 HydrophobicContact CE2-CG 3.85Å; F893-K945 HydrophobicContact CZ-CB 4.18Å; F893-K945 HydrophobicContact CZ-CG 3.84Å; M941-K945 WeakPolarHBondContact O-CA 3.33Å; M941-K945 WeakPolarHBondContact O-CB 3.24Å; M941-K945 PolarHBondContact O-N 3.32Å; T942-K945 VanDerWaalsContact O-CB 3.29Å; T942-K945 WeakPolarHBondContact O-CB 3.42Å; T942-K945 PolarHBondContact O-N 2.89Å; K945-N949 WeakPolarHBondContact O-CB 3.46Å; K945-N949 VanDerWaalsContact O-CG 3.27Å; K945-N949 PolarHBondContact O-N 3.45Å
946E86.9Confident86.6Confident118 Ų11868.4 Ų68.455%0.55133%0.333SS*.Hα-helixtrans-71.1-43179.6-162.9-156.2143.900112.7S944 L948 N949 K950S944-E946 PolarHBondContact O-N 3.12Å; S944-E946 VanDerWaalsContact O-N 3.07Å; E946-L948 VanDerWaalsContact C-N 3.33Å; E946-L948 PolarHBondContact O-N 3.29Å; E946-N949 PolarHBondContact O-N 3.25Å; E946-K950 HydrophobicContact CG-CD 4.47Å; E946-K950 WeakPolarHBondContact O-CB 3.46Å; E946-K950 WeakPolarHBondContact O-CG 3.25Å; E946-K950 PolarHBondContact O-N 3.19Å; E946-K950 WeakPolarHBondContact OE1-CE 3.45Å; E946-K950 IonicContact OE1-NZ 3.86Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å
947K87.3Confident86.9Confident101 Ų10165.9 Ų65.944%0.43934%0.335SS..Hα-helixtrans-63.1-40177-64.9177.7179.1173.70111.1S944 L951S944-K947 CarbonylContact O-C 3.54Å; S944-K947 WeakPolarHBondContact O-CA 3.25Å; S944-K947 WeakPolarHBondContact O-CB 3.37Å; S944-K947 PolarHBondContact O-N 2.83Å; K947-L951 WeakPolarHBondContact O-CB 3.02Å; K947-L951 PolarHBondContact O-N 3.47Å
948L89.1Confident87Confident4 Ų471.5 Ų71.52%0.02136%0.359CS..Hα-helixtrans-67.4-45.2174.2-66.4178.8000111.4L890 F893 V923 M941 S944 E946 K950 L951 V952L890-L948 HydrophobicContact CD1-CD1 3.74Å; L890-L948 HydrophobicContact CD1-CD2 3.81Å; L890-L948 HydrophobicContact CD1-CG 4.46Å; F893-L948 HydrophobicContact CD1-CB 4Å; F893-L948 HydrophobicContact CD1-CD1 3.62Å; F893-L948 HydrophobicContact CD1-CG 4.45Å; F893-L948 HydrophobicContact CE1-CB 3.4Å; F893-L948 HydrophobicContact CE1-CD1 3.73Å; F893-L948 HydrophobicContact CE1-CG 4.22Å; F893-L948 HydrophobicContact CG-CD1 4.1Å; F893-L948 HydrophobicContact CZ-CB 4.06Å; F893-L948 HydrophobicContact CZ-CD1 4.24Å; V923-L948 HydrophobicContact CG1-CD2 4.49Å; V923-L948 HydrophobicContact CG2-CD2 3.57Å; M941-L948 HydrophobicContact SD-CD1 4.01Å; S944-L948 WeakPolarHBondContact O-CG 3.31Å; S944-L948 PolarHBondContact O-N 3.19Å; S944-L948 WeakPolarHBondContact OG-CD1 3.22Å; E946-L948 VanDerWaalsContact C-N 3.33Å; E946-L948 PolarHBondContact O-N 3.29Å; L948-K950 PolarHBondContact O-N 3.09Å; L948-L951 PolarHBondContact O-N 2.76Å; L948-V952 WeakPolarHBondContact O-CB 3.25Å; L948-V952 VanDerWaalsContact O-CG2 3.29Å; L948-V952 WeakPolarHBondContact O-CG2 3.29Å; L948-V952 PolarHBondContact O-N 2.68Å
949N88.5Confident87Confident56 Ų5671.3 Ų71.330%0.29935%0.354SS..Hα-helixtrans-60.4-45175.6-79.8-6.1000112.2K945 E946 L951 V952 Q953K945-N949 WeakPolarHBondContact O-CB 3.46Å; K945-N949 VanDerWaalsContact O-CG 3.27Å; K945-N949 PolarHBondContact O-N 3.45Å; E946-N949 PolarHBondContact O-N 3.25Å; N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 3.08Å; N949-V952 PolarHBondContact O-N 3.48Å; N949-Q953 WeakPolarHBondContact O-CB 3.2Å; N949-Q953 VanDerWaalsContact O-CG 3.32Å; N949-Q953 WeakPolarHBondContact O-CG 3.44Å; N949-Q953 PolarHBondContact O-N 3.16Å
950K89.1Confident86.3Confident122 Ų12268.8 Ų68.853%0.5334%0.343SS..Hα-helixtrans-60.8-41.1174.8-76173.6169.2174.80111.9E946 L948 A954E946-K950 HydrophobicContact CG-CD 4.47Å; E946-K950 WeakPolarHBondContact O-CB 3.46Å; E946-K950 WeakPolarHBondContact O-CG 3.25Å; E946-K950 PolarHBondContact O-N 3.19Å; E946-K950 WeakPolarHBondContact OE1-CE 3.45Å; E946-K950 IonicContact OE1-NZ 3.86Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å; L948-K950 PolarHBondContact O-N 3.09Å; K950-A954 VanDerWaalsContact O-CB 3.3Å; K950-A954 WeakPolarHBondContact O-CB 3.46Å; K950-A954 PolarHBondContact O-N 3.4Å
951L90.1Very high85.1Confident49 Ų4974.7 Ų74.726%0.25737%0.37SS..Hα-helixtrans-66.8-41.3175.6-175.760.7000112.3V919 K922 V923 K947 L948 N949 A954 Y955V919-L951 HydrophobicContact CG1-CD2 4.07Å; V919-L951 HydrophobicContact CG2-CG 4.44Å; K922-L951 HydrophobicContact CG-CD2 4.42Å; V923-L951 HydrophobicContact CG2-CD2 3.94Å; K947-L951 WeakPolarHBondContact O-CB 3.02Å; K947-L951 PolarHBondContact O-N 3.47Å; L948-L951 PolarHBondContact O-N 2.76Å; N949-L951 VanDerWaalsContact C-N 3.34Å; N949-L951 PolarHBondContact O-N 3.08Å; L951-A954 PolarHBondContact O-N 2.81Å; L951-Y955 HydrophobicContact CD1-CD2 4.05Å; L951-Y955 HydrophobicContact CD1-CE2 3.67Å; L951-Y955 HydrophobicContact CG-CD2 4.14Å; L951-Y955 HydrophobicContact CG-CE2 4.01Å; L951-Y955 VanDerWaalsContact O-CD2 3.25Å; L951-Y955 WeakPolarHBondContact O-CD2 3.49Å; L951-Y955 PolarHBondContact O-N 3.26Å; L951-Y955 VanDerWaalsContact O-N 3.1Å
952V89.3Confident83.5Confident5 Ų579.8 Ų79.83%0.0342%0.415CS..Hα-helixtrans-62.6-51.2174.9168.80000110.3V894 A897 L898 V919 L948 N949 A954 Y955 V956V894-V952 HydrophobicContact CG1-CG2 3.92Å; V894-V952 HydrophobicContact CG2-CG2 4.27Å; A897-V952 HydrophobicContact CB-CG1 4.23Å; A897-V952 HydrophobicContact CB-CG2 4.35Å; L898-V952 HydrophobicContact CD2-CG1 3.7Å; L898-V952 HydrophobicContact CG-CG1 4.05Å; V919-V952 HydrophobicContact CG1-CG2 4.38Å; V919-V952 HydrophobicContact CG2-CG2 4.11Å; L948-V952 WeakPolarHBondContact O-CB 3.25Å; L948-V952 VanDerWaalsContact O-CG2 3.29Å; L948-V952 WeakPolarHBondContact O-CG2 3.29Å; L948-V952 PolarHBondContact O-N 2.68Å; N949-V952 PolarHBondContact O-N 3.48Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 3.38Å; V952-Y955 CarbonylContact O-C 3.5Å; V952-Y955 WeakPolarHBondContact O-CA 3.28Å; V952-Y955 PolarHBondContact O-N 3.3Å; V952-V956 HydrophobicContact CG1-CG2 4.2Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 3.21Å
953Q86.8Confident83.3Confident133 Ų13378.7 Ų78.762%0.62140%0.404SS*.Hα-helixtrans-56.3-42.8176.2-73.9171.7-16.600112N949 Y955 V956 G957N949-Q953 WeakPolarHBondContact O-CB 3.2Å; N949-Q953 VanDerWaalsContact O-CG 3.32Å; N949-Q953 WeakPolarHBondContact O-CG 3.44Å; N949-Q953 PolarHBondContact O-N 3.16Å; Q953-Y955 VanDerWaalsContact C-N 3.25Å; Q953-Y955 PolarHBondContact O-N 2.94Å; Q953-V956 PolarHBondContact O-N 3.11Å; Q953-G957 PolarHBondContact O-N 2.91Å
954A88.8Confident83.3Confident49 Ų4974.4 Ų74.441%0.40539%0.393SS..Hα-helixtrans-66.2-22.8176.100000113.9K950 L951 V952 K958K950-A954 VanDerWaalsContact O-CB 3.3Å; K950-A954 WeakPolarHBondContact O-CB 3.46Å; K950-A954 PolarHBondContact O-N 3.4Å; L951-A954 PolarHBondContact O-N 2.81Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 3.38Å; A954-K958 VanDerWaalsContact O-CD 3.23Å; A954-K958 WeakPolarHBondContact O-CD 3.29Å; A954-K958 WeakPolarHBondContact O-CE 2.72Å; A954-K958 VanDerWaalsContact O-CG 3.23Å; A954-K958 WeakPolarHBondContact O-CG 3.45Å
955Y89.2Confident83.3Confident44 Ų4478.3 Ų78.317%0.17341%0.413CS..Hα-helixtrans-87.5-35.8169.9-82.3-63000112.8K918 V919 L951 V952 Q953 K958 Y959K918-Y955 HydrophobicContact CB-CE1 4.09Å; K918-Y955 HydrophobicContact CB-CE2 4.41Å; V919-Y955 HydrophobicContact CG2-CD2 3.53Å; V919-Y955 HydrophobicContact CG2-CE2 3.96Å; V919-Y955 HydrophobicContact CG2-CG 4.45Å; L951-Y955 HydrophobicContact CD1-CD2 4.05Å; L951-Y955 HydrophobicContact CD1-CE2 3.67Å; L951-Y955 HydrophobicContact CG-CD2 4.14Å; L951-Y955 HydrophobicContact CG-CE2 4.01Å; L951-Y955 VanDerWaalsContact O-CD2 3.25Å; L951-Y955 WeakPolarHBondContact O-CD2 3.49Å; L951-Y955 PolarHBondContact O-N 3.26Å; L951-Y955 VanDerWaalsContact O-N 3.1Å; V952-Y955 CarbonylContact O-C 3.5Å; V952-Y955 WeakPolarHBondContact O-CA 3.28Å; V952-Y955 PolarHBondContact O-N 3.3Å; Q953-Y955 VanDerWaalsContact C-N 3.25Å; Q953-Y955 PolarHBondContact O-N 2.94Å; Y955-K958 PolarHBondContact O-N 3.14Å; Y955-K958 VanDerWaalsContact O-N 3.15Å; Y955-Y959 HydrophobicContact CD1-CD2 4.1Å; Y955-Y959 AromaticContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CE1-CE2 4.28Å; Y955-Y959 WeakPolarHBondContact O-CD2 3.42Å; Y955-Y959 PolarHBondContact O-N 3.35Å
956V88.1Confident83.1Confident20 Ų2075.8 Ų75.812%0.12141%0.406CS..Hα-helixtrans-58.5-50.3171.5174.20000109.7L898 T901 M907 I915 V952 Q953 K958 Y959 A960L898-V956 HydrophobicContact CD2-CG2 3.64Å; T901-V956 HydrophobicContact CG2-CG1 4.3Å; M907-V956 HydrophobicContact CE-CB 4.49Å; M907-V956 HydrophobicContact CE-CG1 4.01Å; M907-V956 HydrophobicContact CE-CG2 3.77Å; I915-V956 HydrophobicContact CD1-CG2 3.94Å; V952-V956 HydrophobicContact CG1-CG2 4.2Å; V952-V956 WeakPolarHBondContact O-CG2 3.36Å; V952-V956 PolarHBondContact O-N 3.21Å; Q953-V956 PolarHBondContact O-N 3.11Å; V956-K958 PolarHBondContact O-N 2.87Å; V956-Y959 PolarHBondContact O-N 3.46Å; V956-Y959 VanDerWaalsContact O-N 3.14Å; V956-A960 HydrophobicContact CG1-CB 4.23Å; V956-A960 WeakPolarHBondContact O-CB 3.36Å; V956-A960 PolarHBondContact O-N 3.37Å
957G85.9Confident82.8Confident47 Ų4773.1 Ų73.149%0.48540%0.397SS..Hα-helixtrans-61.6-17.8177.400000115.1Q953Q953-G957 PolarHBondContact O-N 2.91Å
958K86.4Confident82.5Confident121 Ų12171.3 Ų71.353%0.52639%0.394SS..Hα-helixtrans-93.6-30.3175.6-72.4173.8-172.7178.40113.7A954 Y955 V956A954-K958 VanDerWaalsContact O-CD 3.23Å; A954-K958 WeakPolarHBondContact O-CD 3.29Å; A954-K958 WeakPolarHBondContact O-CE 2.72Å; A954-K958 VanDerWaalsContact O-CG 3.23Å; A954-K958 WeakPolarHBondContact O-CG 3.45Å; Y955-K958 PolarHBondContact O-N 3.14Å; Y955-K958 VanDerWaalsContact O-N 3.15Å; V956-K958 PolarHBondContact O-N 2.87Å
959Y82.9Confident82.1Confident63 Ų6376.1 Ų76.125%0.24742%0.421CS..Hα-helixtrans-111.6-6-174.7-69.7-65000114.5V911 T914 I915 K918 Y955 V956 K961V911-Y959 VanDerWaalsContact CG2-O 3.28Å; V911-Y959 WeakPolarHBondContact CG2-O 3.41Å; T914-Y959 HydrophobicContact CG2-CE1 4.12Å; T914-Y959 HydrophobicContact CG2-CE2 4.13Å; I915-Y959 HydrophobicContact CG1-CD2 3.82Å; I915-Y959 HydrophobicContact CG1-CG 4.45Å; K918-Y959 HydrophobicContact CG-CE2 4.38Å; Y955-Y959 HydrophobicContact CD1-CD2 4.1Å; Y955-Y959 AromaticContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CD1-CE2 3.68Å; Y955-Y959 HydrophobicContact CE1-CE2 4.28Å; Y955-Y959 WeakPolarHBondContact O-CD2 3.42Å; Y955-Y959 PolarHBondContact O-N 3.35Å; V956-Y959 PolarHBondContact O-N 3.46Å; V956-Y959 VanDerWaalsContact O-N 3.14Å; Y959-K961 VanDerWaalsContact C-N 3.3Å
960A71.1Confident81.6Confident42 Ų4277.6 Ų77.635%0.34743%0.43SS..SBendtrans-86.5-2.5168.400000112.9Q906 V956Q906-A960 VanDerWaalsContact O-CB 3.23Å; Q906-A960 WeakPolarHBondContact O-CB 3.2Å; V956-A960 HydrophobicContact CG1-CB 4.23Å; V956-A960 WeakPolarHBondContact O-CB 3.36Å; V956-A960 PolarHBondContact O-N 3.37Å
961K61.8Low80.9Confident190 Ų19073.9 Ų73.983%0.82642%0.422SS*.  trans-117.218.6178.6-63.8-171.9175-173.10112.6Y959Y959-K961 VanDerWaalsContact C-N 3.3Å
962A50.7Low80.1Confident124 Ų12476.2 Ų76.2100%1.02544%0.437SS*.  trans-145.90-175.800000110.5

Retrieved 962 of 962 residues in 530.5 ms (Link to these results)